*HEADER    SURFACE ACTIVE PROTEIN                  09-JAN-06   2FMC              
*TITLE     SOLUTION STRUCTURE OF THE CLASS I HYDROPHOBIN EAS                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYDROPHOBIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RODLET PROTEIN, CLOCK-CONTROLLED GENE PROTEIN 2,            
*COMPND   5 BLUE LIGHT-INDUCED PROTEIN 7, EAS                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA;                              
*SOURCE   3 ORGANISM_COMMON: FUNGI;                                              
*SOURCE   4 TISSUE: SPORES                                                       
*KEYWDS    BETA BARREL, FLEXIBLE LOOP, DISULPHIDE BONDS                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.KWAN                                                              
*REVDAT   1   28-MAR-06 2FMC    0                                                

 ASSI {   12}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     2.000     2.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.13958E-02 ppm1      5.599 ppm2      9.460 CV     1
 ASSI {   15}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.12216E-01 ppm1      4.128 ppm2      9.547 CV     1
 ASSI {   17}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     2.000     2.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      4.552 ppm2      9.454 CV     1
 ASSI {   20}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.700     1.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.30530E-02 ppm1      5.287 ppm2      9.057 CV     1
 ASSI {   24}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     2.100     2.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12622E-02 ppm1      4.771 ppm2      9.016 CV     1
 ASSI {   26}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.10269E-01 ppm1      4.269 ppm2      9.014 CV     1
 ASSI {   29}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.600     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      5.401 ppm2      9.054 CV     1
 ASSI {   33}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     2.100     2.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.12515E-02 ppm1      2.731 ppm2      8.918 CV     1
 ASSI {   34}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.800     1.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.24275E-02 ppm1      5.516 ppm2      8.916 CV     1
 ASSI {   35}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.62555E-02 ppm1      4.944 ppm2      8.979 CV     1
 ASSI {   36}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.44557E-02 ppm1      2.890 ppm2      8.978 CV     1
 ASSI {   37}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     1.400     1.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.63238E-02 ppm1      2.459 ppm2      8.979 CV     1
 ASSI {   40}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.900     1.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      4.506 ppm2      8.860 CV     1
 ASSI {   41}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.49467E-02 ppm1      2.324 ppm2      8.860 CV     1
 OR {   41}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {   42}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.600     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.34096E-02 ppm1      2.054 ppm2      8.861 CV     1
 ASSI {   43}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.47802E-02 ppm1      1.961 ppm2      8.860 CV     1
 ASSI {   44}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.600     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.34117E-02 ppm1      4.560 ppm2      8.877 CV     1
 ASSI {   45}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.45112E-02 ppm1      3.878 ppm2      8.878 CV     1
 ASSI {   46}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.28331E-02 ppm1      4.556 ppm2      8.870 CV     1
 ASSI {   47}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     1.300     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.95754E-02 ppm1      4.293 ppm2      8.745 CV     1
 ASSI {   48}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     1.300     1.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.92145E-02 ppm1      3.783 ppm2      8.870 CV     1
 ASSI {   50}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      2.700     1.400     1.400 peak    50 spectrum    1 weight  0.10000E+01 volume  0.59523E-02 ppm1      0.868 ppm2      8.869 CV     1
 ASSI {   51}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.59673E-02 ppm1      4.619 ppm2      8.830 CV     1
 ASSI {   52}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.11885E-01 ppm1      1.885 ppm2      8.830 CV     1
 ASSI {   53}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.400     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11944E-01 ppm1      0.738 ppm2      8.830 CV     1
 ASSI {   54}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.47225E-02 ppm1      0.684 ppm2      8.829 CV     1
 ASSI {   62}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     1.400     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.58926E-02 ppm1      4.015 ppm2      8.720 CV     1
 ASSI {   65}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.55403E-02 ppm1      4.409 ppm2      8.710 CV     1
 ASSI {   66}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.13394E-01 ppm1      3.730 ppm2      8.710 CV     1
 OR {   66}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {   67}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     2.000     2.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.15844E-02 ppm1      4.698 ppm2      8.586 CV     1
 ASSI {   68}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.900     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.18803E-02 ppm1      3.285 ppm2      8.692 CV     1
 ASSI {   70}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.28737E-02 ppm1      1.682 ppm2      8.586 CV     1
 ASSI {   71}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.269 ppm2      8.586 CV     1
 OR {   71}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {   73}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.90309E-02 ppm1      1.892 ppm2      8.633 CV     1
 ASSI {   75}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.22097E-01 ppm1      4.245 ppm2      8.662 CV     1
 ASSI {   76}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.23015E-01 ppm1      2.572 ppm2      8.662 CV     1
 OR {   76}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {   77}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.16100E-01 ppm1      4.571 ppm2      8.637 CV     1
 ASSI {   78}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     5.000     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.828 ppm2      8.636 CV     1
 ASSI {   79}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.52499E-02 ppm1      2.174 ppm2      8.637 CV     1
 ASSI {   80}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.67935E-02 ppm1      2.013 ppm2      8.637 CV     1
 ASSI {   81}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.25641E-02 ppm1      2.753 ppm2      8.637 CV     1
 ASSI {   86}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     1.300     1.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.90053E-02 ppm1      4.254 ppm2      8.626 CV     1
 ASSI {   87}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      2.700     1.400     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.67423E-02 ppm1      0.727 ppm2      8.548 CV     1
 ASSI {   88}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.600     1.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.37512E-02 ppm1      4.022 ppm2      8.547 CV     1
 ASSI {   89}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12567E-01 ppm1      1.949 ppm2      8.289 CV     1
 ASSI {   90}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      2.500     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.91249E-02 ppm1      0.592 ppm2      8.548 CV     1
 ASSI {   92}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.500     1.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.51901E-02 ppm1      2.978 ppm2      8.566 CV     1
 ASSI {   93}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.801 ppm2      8.617 CV     1
 ASSI {   95}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.800     1.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.22523E-02 ppm1      4.777 ppm2      8.615 CV     1
 ASSI {   96}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.85954E-02 ppm1      2.493 ppm2      8.615 CV     1
 ASSI {  103}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.60804E-02 ppm1      4.348 ppm2      8.519 CV     1
 ASSI {  104}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.600     1.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.37128E-02 ppm1      3.787 ppm2      8.518 CV     1
 ASSI {  105}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.500     1.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.46073E-02 ppm1      3.674 ppm2      8.518 CV     1
 ASSI {  111}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     2.000     2.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.13506E-02 ppm1      4.734 ppm2      8.511 CV     1
 ASSI {  112}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.35867E-02 ppm1      2.165 ppm2      8.512 CV     1
 ASSI {  113}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.31897E-02 ppm1      2.086 ppm2      8.510 CV     1
 ASSI {  114}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     1.300     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11367E-01 ppm1      1.791 ppm2      8.512 CV     1
 ASSI {  115}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.500     1.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.53609E-02 ppm1      1.612 ppm2      8.512 CV     1
 ASSI {  117}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.73186E-02 ppm1      3.919 ppm2      8.446 CV     1
 ASSI {  118}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.46606E-02 ppm1      4.388 ppm2      8.458 CV     1
 ASSI {  119}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     1.200     1.200 peak   119 spectrum    1 weight  0.10000E+01 volume  0.15714E-01 ppm1      3.724 ppm2      8.459 CV     1
 OR {  119}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  120}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     1.300     1.300 peak   120 spectrum    1 weight  0.10000E+01 volume  0.10197E-01 ppm1      4.157 ppm2      8.471 CV     1
 ASSI {  122}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.000     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      8.471 CV     1
 ASSI {  124}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.48122E-02 ppm1      4.449 ppm2      8.399 CV     1
 ASSI {  125}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.600     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.37213E-02 ppm1      2.598 ppm2      8.400 CV     1
 ASSI {  126}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.43852E-02 ppm1      2.379 ppm2      8.399 CV     1
 ASSI {  127}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.000     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.788 ppm2      8.263 CV     1
 ASSI {  128}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.500     1.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.47247E-02 ppm1      0.848 ppm2      8.259 CV     1
 ASSI {  129}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     1.300     1.300 peak   129 spectrum    1 weight  0.10000E+01 volume  0.83498E-02 ppm1      3.612 ppm2      8.335 CV     1
 OR {  129}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  130}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.000     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      8.260 CV     1
 ASSI {  131}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.700     1.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.27178E-02 ppm1      0.947 ppm2      8.260 CV     1
 ASSI {  132}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.78545E-02 ppm1      4.690 ppm2      8.388 CV     1
 ASSI {  133}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.600     1.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.34565E-02 ppm1      2.748 ppm2      8.387 CV     1
 ASSI {  134}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.900     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.18711E-02 ppm1      2.633 ppm2      8.387 CV     1
 ASSI {  135}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.13915E-01 ppm1      4.133 ppm2      8.334 CV     1
 ASSI {  136}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.14586E-01 ppm1      3.789 ppm2      8.379 CV     1
 OR {  136}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  137}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 78   and name HN  ))
      2.200     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.19417E-01 ppm1      1.242 ppm2      8.334 CV     1
 ASSI {  138}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.51538E-02 ppm1      4.584 ppm2      8.354 CV     1
 ASSI {  139}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     1.400     1.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.63174E-02 ppm1      2.636 ppm2      8.354 CV     1
 ASSI {  140}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.55894E-02 ppm1      2.505 ppm2      8.355 CV     1
 ASSI {  141}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     2.100     2.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      4.164 ppm2      8.305 CV     1
 ASSI {  142}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.200     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.19281E-01 ppm1      1.501 ppm2      8.305 CV     1
 ASSI {  144}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     1.300     1.300 peak   144 spectrum    1 weight  0.10000E+01 volume  0.79506E-02 ppm1      4.503 ppm2      8.361 CV     1
 ASSI {  145}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.965 ppm2      8.275 CV     1
 ASSI {  146}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.59438E-02 ppm1      2.680 ppm2      8.361 CV     1
 ASSI {  147}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.36722E-02 ppm1      2.567 ppm2      8.362 CV     1
 ASSI {  148}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     2.100     2.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.12452E-02 ppm1      1.319 ppm2      8.276 CV     1
 OR {  148}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  149}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.100     1.700     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.26196E-02 ppm1      0.826 ppm2      8.273 CV     1
 ASSI {  151}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.90630E-02 ppm1      4.245 ppm2      8.292 CV     1
 ASSI {  154}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.18610E-01 ppm1      3.810 ppm2      8.320 CV     1
 OR {  154}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  158}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.600     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.81876E-02 ppm1      4.397 ppm2      8.181 CV     1
 ASSI {  159}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      2.900     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.46244E-02 ppm1      3.781 ppm2      8.181 CV     1
 ASSI {  160}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.12823E-01 ppm1      4.477 ppm2      8.238 CV     1
 ASSI {  161}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.600     1.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.34458E-02 ppm1      2.672 ppm2      8.238 CV     1
 ASSI {  162}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.68661E-02 ppm1      2.591 ppm2      8.238 CV     1
 ASSI {  163}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      8.178 CV     1
 ASSI {  164}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.300     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18470E-01 ppm1      4.178 ppm2      8.176 CV     1
 ASSI {  165}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     5.000     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.061 ppm2      8.249 CV     1
 ASSI {  169}
   (  segid "    " and resid 82   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.200     1.100     1.100 peak   169 spectrum    1 weight  0.10000E+01 volume  0.24488E-01 ppm1      1.228 ppm2      8.289 CV     1
 ASSI {  173}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.500     1.500 peak   173 spectrum    1 weight  0.10000E+01 volume  0.52563E-02 ppm1      4.781 ppm2      8.136 CV     1
 ASSI {  174}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.48315E-02 ppm1      3.110 ppm2      8.135 CV     1
 ASSI {  175}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     1.400     1.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.72248E-02 ppm1      4.411 ppm2      8.110 CV     1
 ASSI {  176}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.69579E-02 ppm1      3.875 ppm2      8.110 CV     1
 ASSI {  178}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.15586E-01 ppm1      4.206 ppm2      8.173 CV     1
 ASSI {  180}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.060 ppm2      8.173 CV     1
 ASSI {  181}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     5.000     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.740 ppm2      8.138 CV     1
 ASSI {  182}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     1.300     1.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.83669E-02 ppm1      2.631 ppm2      8.138 CV     1
 ASSI {  183}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     1.200     1.200 peak   183 spectrum    1 weight  0.10000E+01 volume  0.12593E-01 ppm1      4.676 ppm2      8.139 CV     1
 ASSI {  192}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     1.300     1.300 peak   192 spectrum    1 weight  0.10000E+01 volume  0.10036E-01 ppm1      1.505 ppm2      8.051 CV     1
 ASSI {  193}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.500     1.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.46286E-02 ppm1      0.771 ppm2      8.051 CV     1
 ASSI {  197}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     1.300     1.300 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10312E-01 ppm1      1.621 ppm2      8.104 CV     1
 ASSI {  202}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      8.144 CV     1
 ASSI {  204}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.13589E-01 ppm1      1.896 ppm2      8.144 CV     1
 ASSI {  205}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     1.400     1.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.58818E-02 ppm1      0.777 ppm2      8.145 CV     1
 OR {  205}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  209}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.900     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.16369E-02 ppm1      2.656 ppm2      8.029 CV     1
 ASSI {  212}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     5.000     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.548 ppm2      8.086 CV     1
 OR {  212}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  217}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     1.300     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.84865E-02 ppm1      4.183 ppm2      8.153 CV     1
 ASSI {  218}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.300     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19095E-01 ppm1      1.502 ppm2      8.153 CV     1
 OR {  218}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  219}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.500     1.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.53588E-02 ppm1      1.425 ppm2      8.153 CV     1
 ASSI {  220}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.55573E-02 ppm1      0.768 ppm2      8.153 CV     1
 OR {  220}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  221}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     1.100     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.20893E-01 ppm1      4.243 ppm2      7.976 CV     1
 ASSI {  222}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.200     1.100     1.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.20880E-01 ppm1      1.270 ppm2      7.976 CV     1
 ASSI {  225}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     2.000     2.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      4.511 ppm2      7.914 CV     1
 ASSI {  226}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.600     1.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.34245E-02 ppm1      3.082 ppm2      7.912 CV     1
 ASSI {  227}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     1.400     1.400 peak   227 spectrum    1 weight  0.10000E+01 volume  0.58690E-02 ppm1      2.281 ppm2      7.915 CV     1
 ASSI {  237}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.27541E-02 ppm1      0.696 ppm2      7.965 CV     1
 ASSI {  238}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.600     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.41163E-02 ppm1      4.745 ppm2      7.936 CV     1
 ASSI {  239}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.30872E-02 ppm1      4.299 ppm2      7.963 CV     1
 ASSI {  241}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.12964E-01 ppm1      2.854 ppm2      7.935 CV     1
 ASSI {  242}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      1.743 ppm2      7.963 CV     1
 ASSI {  243}
   (( segid "    " and resid 35   and name HG13))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.600     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.39155E-02 ppm1      1.015 ppm2      7.965 CV     1
 ASSI {  244}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.74297E-02 ppm1      4.067 ppm2      7.890 CV     1
 ASSI {  245}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.700     1.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.25427E-02 ppm1      3.936 ppm2      8.030 CV     1
 ASSI {  246}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.65095E-02 ppm1      2.000 ppm2      7.891 CV     1
 ASSI {  247}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      2.400     1.200     1.200 peak   247 spectrum    1 weight  0.10000E+01 volume  0.12641E-01 ppm1      0.762 ppm2      7.891 CV     1
 ASSI {  249}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     1.200     1.200 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15094E-01 ppm1      4.183 ppm2      7.916 CV     1
 ASSI {  250}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     1.400     1.400 peak   250 spectrum    1 weight  0.10000E+01 volume  0.67380E-02 ppm1      1.448 ppm2      7.916 CV     1
 ASSI {  263}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.500     1.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.44065E-02 ppm1      3.837 ppm2      7.881 CV     1
 ASSI {  264}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     1.400     1.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.66269E-02 ppm1      1.752 ppm2      7.881 CV     1
 ASSI {  265}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      2.500     1.300     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      0.783 ppm2      7.884 CV     1
 OR {  265}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  273}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.28416E-02 ppm1      5.553 ppm2      7.621 CV     1
 ASSI {  274}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     1.400     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.66397E-02 ppm1      2.871 ppm2      7.620 CV     1
 ASSI {  275}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      2.900     1.600     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.41632E-02 ppm1      2.767 ppm2      7.619 CV     1
 ASSI {  290}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.600     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.32878E-02 ppm1      1.124 ppm2      7.567 CV     1
 ASSI {  291}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     1.300     1.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.86317E-02 ppm1      3.845 ppm2      7.567 CV     1
 ASSI {  292}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.51560E-02 ppm1      3.673 ppm2      7.570 CV     1
 ASSI {  310}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.600     1.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.39497E-02 ppm1      4.044 ppm2      7.453 CV     1
 ASSI {  312}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     1.400     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.59139E-02 ppm1      1.150 ppm2      7.455 CV     1
 ASSI {  313}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      2.700     1.400     1.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.63879E-02 ppm1      0.759 ppm2      7.453 CV     1
 ASSI {  319}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 56   and name HN  ))
      2.200     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.21648E-01 ppm1      1.276 ppm2      7.055 CV     1
 ASSI {  436}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB  ))
      2.400     1.200     1.200 peak   436 spectrum    1 weight  0.10000E+01 volume  0.11721E-01 ppm1      4.176 ppm2      4.057 CV     1
 ASSI {  439}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 24   and name HA2 ))
      2.500     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.10807E-01 ppm1      4.041 ppm2      3.898 CV     1
 ASSI {  440}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 5    and name HA2 ))
      2.700     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.57516E-02 ppm1      4.559 ppm2      3.878 CV     1
 ASSI {  443}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     5.000     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.348 ppm2      3.788 CV     1
 ASSI {  445}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.400     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.13512E-01 ppm1      4.245 ppm2      3.768 CV     1
 OR {  445}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  446}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.000     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      3.723 CV     1
 OR {  446}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  448}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.300     1.100     1.100 peak   448 spectrum    1 weight  0.10000E+01 volume  0.18786E-01 ppm1      4.619 ppm2      3.692 CV     1
 OR {  448}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  449}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      3.200     1.800     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.21349E-02 ppm1      4.278 ppm2      3.696 CV     1
 ASSI {  451}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HA2 ))
      2.600     1.300     1.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.84631E-02 ppm1      4.128 ppm2      3.649 CV     1
 ASSI {  453}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.300     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.19065E-01 ppm1      4.654 ppm2      3.612 CV     1
 OR {  453}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  454}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     5.000     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      3.608 CV     1
 ASSI {  455}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD3 ))
      3.600     2.100     2.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.12165E-02 ppm1      4.278 ppm2      3.573 CV     1
 ASSI {  460}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.700     1.400     1.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.59950E-02 ppm1      4.621 ppm2      3.548 CV     1
 OR {  460}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  461}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD3 ))
      2.800     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.51688E-02 ppm1      4.283 ppm2      3.521 CV     1
 ASSI {  463}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 51   and name HA2 ))
      6.000     5.000     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.269 ppm2      3.457 CV     1
 ASSI {  465}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      3.300     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.20417E-02 ppm1      4.194 ppm2      3.399 CV     1
 ASSI {  466}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 44   and name HA2 ))
      2.700     1.400     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.65245E-02 ppm1      4.411 ppm2      3.418 CV     1
 ASSI {  467}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
      3.100     1.700     1.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.29164E-02 ppm1      4.509 ppm2      2.326 CV     1
 OR {  467}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  472}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.300     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.18360E-01 ppm1      4.194 ppm2      2.207 CV     1
 ASSI {  473}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     2.000     2.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.14268E-02 ppm1      3.607 ppm2      2.208 CV     1
 ASSI {  475}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.900     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.18132E-02 ppm1      2.753 ppm2      2.174 CV     1
 ASSI {  476}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.48912E-02 ppm1      4.567 ppm2      2.172 CV     1
 ASSI {  477}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.900     2.400     2.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.74788E-03 ppm1      4.731 ppm2      2.164 CV     1
 ASSI {  478}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.700     1.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.25620E-02 ppm1      2.825 ppm2      2.172 CV     1
 ASSI {  480}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.700     2.200     2.200 peak   480 spectrum    1 weight  0.10000E+01 volume  0.91996E-03 ppm1      3.576 ppm2      2.152 CV     1
 ASSI {  481}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.800     2.300     2.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.78567E-03 ppm1      3.696 ppm2      2.152 CV     1
 ASSI {  483}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     5.000     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.463 ppm2      2.136 CV     1
 OR {  483}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  487}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.900     2.400     2.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.65906E-03 ppm1      5.113 ppm2      2.094 CV     1
 ASSI {  488}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.800     1.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.56043E-02 ppm1      4.790 ppm2      2.085 CV     1
 ASSI {  489}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
      4.100     2.600     1.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.55232E-03 ppm1      3.578 ppm2      2.093 CV     1
 ASSI {  490}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG3 ))
      2.900     1.500     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.45240E-02 ppm1      4.735 ppm2      2.087 CV     1
 ASSI {  493}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.100     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.29036E-02 ppm1      4.567 ppm2      2.014 CV     1
 ASSI {  495}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
      3.000     1.700     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.31747E-02 ppm1      2.828 ppm2      2.014 CV     1
 ASSI {  496}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
      3.200     1.700     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.24872E-02 ppm1      2.753 ppm2      2.013 CV     1
 ASSI {  498}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.400     1.200     1.200 peak   498 spectrum    1 weight  0.10000E+01 volume  0.11931E-01 ppm1      4.069 ppm2      2.001 CV     1
 ASSI {  500}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.100     1.700     1.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.29078E-02 ppm1      4.509 ppm2      1.962 CV     1
 ASSI {  503}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB  ))
      6.000     5.000     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      1.949 CV     1
 ASSI {  504}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      2.600     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.78567E-02 ppm1      3.884 ppm2      1.892 CV     1
 ASSI {  505}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     5.000     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.699 ppm2      1.917 CV     1
 ASSI {  506}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     5.000     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      1.906 CV     1
 ASSI {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     5.000     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      1.860 CV     1
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  509}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     5.000     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.463 ppm2      1.861 CV     1
 OR {  509}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  510}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     5.000     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.867 CV     1
 ASSI {  511}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.100     1.700     1.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.26410E-02 ppm1      5.112 ppm2      1.849 CV     1
 ASSI {  513}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     5.000     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.573 ppm2      1.871 CV     1
 ASSI {  514}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     5.000     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.819 CV     1
 ASSI {  515}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     5.000     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.697 ppm2      1.871 CV     1
 ASSI {  516}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     5.000     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.137 CV     1
 ASSI {  518}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.900     1.600     1.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.37853E-02 ppm1      4.731 ppm2      1.792 CV     1
 ASSI {  520}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      3.300     1.900     1.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.19148E-02 ppm1      3.285 ppm2      1.751 CV     1
 ASSI {  521}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      2.700     1.400     1.400 peak   521 spectrum    1 weight  0.10000E+01 volume  0.60206E-02 ppm1      3.837 ppm2      1.752 CV     1
 ASSI {  522}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     5.000     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.299 ppm2      1.743 CV     1
 ASSI {  530}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.61444E-02 ppm1      3.258 ppm2      1.652 CV     1
 ASSI {  533}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB  ))
      2.700     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.58605E-02 ppm1      4.611 ppm2      1.619 CV     1
 ASSI {  547}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.900     1.600     1.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.37938E-02 ppm1      5.112 ppm2      1.516 CV     1
 ASSI {  548}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     5.000     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.507 CV     1
 OR {  548}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  551}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     5.000     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.170 ppm2      1.420 CV     1
 ASSI {  552}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG12))
      3.000     1.600     1.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.34159E-02 ppm1      3.258 ppm2      1.440 CV     1
 ASSI {  558}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG12))
      6.000     5.000     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.299 ppm2      1.358 CV     1
 ASSI {  563}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      2.300     1.200     1.200 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16917E-01 ppm1      4.600 ppm2      1.276 CV     1
 ASSI {  564}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HB% )
      6.000     5.000     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.245 ppm2      1.274 CV     1
 ASSI {  566}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      6.000     5.000     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.157 ppm2      1.251 CV     1
 ASSI {  567}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HB% )
      6.000     5.000     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.987 ppm2      1.223 CV     1
 ASSI {  572}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      6.000     5.000     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      1.266 CV     1
 ASSI {  576}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     1.400     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.72205E-02 ppm1      3.848 ppm2      1.124 CV     1
 ASSI {  577}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.500     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.10438E-01 ppm1      3.673 ppm2      1.124 CV     1
 ASSI {  592}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      2.600     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.78076E-02 ppm1      4.402 ppm2      1.054 CV     1
 ASSI {  593}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      2.500     1.300     1.300 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10534E-01 ppm1      3.779 ppm2      1.054 CV     1
 ASSI {  594}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG2%)
      2.300     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.18091E-01 ppm1      4.061 ppm2      1.048 CV     1
 ASSI {  602}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG13))
      3.000     1.600     1.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.32665E-02 ppm1      4.300 ppm2      1.016 CV     1
 ASSI {  608}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.500     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10662E-01 ppm1      4.788 ppm2      0.946 CV     1
 ASSI {  609}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG13))
      3.100     1.700     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.28032E-02 ppm1      3.257 ppm2      0.913 CV     1
 ASSI {  613}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     5.000     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.554 ppm2      0.869 CV     1
 ASSI {  614}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.600     1.300     1.300 peak   614 spectrum    1 weight  0.10000E+01 volume  0.86786E-02 ppm1      3.779 ppm2      0.868 CV     1
 ASSI {  616}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      6.000     5.000     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.790 ppm2      0.851 CV     1
 ASSI {  617}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      2.600     1.400     1.400 peak   617 spectrum    1 weight  0.10000E+01 volume  0.77820E-02 ppm1      3.285 ppm2      0.845 CV     1
 ASSI {  622}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.600     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.73848E-02 ppm1      3.888 ppm2      0.778 CV     1
 OR {  622}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI {  623}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      0.789 CV     1
 ASSI {  624}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     5.000     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      0.769 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HG1%)
      6.000     5.000     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.068 ppm2      0.762 CV     1
 OR {  625}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI {  628}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      2.600     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.82047E-02 ppm1      3.258 ppm2      0.721 CV     1
 ASSI {  630}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     5.000     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.172 ppm2      0.699 CV     1
 ASSI {  631}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HG1%)
      6.000     5.000     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      0.728 CV     1
 ASSI {  632}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      2.500     1.300     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.10572E-01 ppm1      3.285 ppm2      0.667 CV     1
 ASSI {  634}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.021 ppm2      0.590 CV     1
 ASSI {  639}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.600     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.36123E-02 ppm1      4.779 ppm2      3.109 CV     1
 ASSI {  640}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     5.000     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.508 ppm2      3.088 CV     1
 ASSI {  641}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.800     1.500     1.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.48229E-02 ppm1      5.285 ppm2      2.948 CV     1
 ASSI {  642}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     5.000     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      2.901 CV     1
 ASSI {  643}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.000     2.500     2.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.59544E-03 ppm1      4.854 ppm2      2.977 CV     1
 ASSI {  644}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     5.000     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.553 ppm2      2.873 CV     1
 ASSI {  645}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.700     1.400     1.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.64220E-02 ppm1      4.944 ppm2      2.887 CV     1
 ASSI {  646}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.200     1.100     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.19157E-01 ppm1      4.747 ppm2      2.856 CV     1
 OR {  646}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  648}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.000     1.600     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.32665E-02 ppm1      4.567 ppm2      2.827 CV     1
 ASSI {  649}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.300     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.19691E-02 ppm1      5.401 ppm2      2.802 CV     1
 ASSI {  651}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     1.300     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.11447E-01 ppm1      4.255 ppm2      2.836 CV     1
 ASSI {  653}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.300     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.16958E-01 ppm1      4.779 ppm2      2.801 CV     1
 ASSI {  654}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      6.000     5.000     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.553 ppm2      2.766 CV     1
 ASSI {  655}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.300     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.15128E-01 ppm1      4.255 ppm2      2.790 CV     1
 ASSI {  658}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.400     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13807E-01 ppm1      4.690 ppm2      2.749 CV     1
 ASSI {  660}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
      2.600     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.88709E-02 ppm1      4.781 ppm2      2.726 CV     1
 ASSI {  664}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     1.200     1.200 peak   664 spectrum    1 weight  0.10000E+01 volume  0.16384E-01 ppm1      4.503 ppm2      2.680 CV     1
 ASSI {  665}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.400     1.900     1.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.16561E-02 ppm1      5.401 ppm2      2.683 CV     1
 ASSI {  666}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.700     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.64177E-02 ppm1      5.287 ppm2      2.649 CV     1
 ASSI {  667}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      6.000     5.000     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      2.632 CV     1
 ASSI {  670}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13242E-01 ppm1      4.587 ppm2      2.637 CV     1
 ASSI {  671}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      6.000     5.000     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      2.622 CV     1
 ASSI {  672}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.51240E-02 ppm1      4.450 ppm2      2.598 CV     1
 ASSI {  675}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.100     1.000     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.29805E-01 ppm1      4.245 ppm2      2.572 CV     1
 OR {  675}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  676}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.400     1.200     1.200 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12368E-01 ppm1      4.503 ppm2      2.567 CV     1
 ASSI {  678}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.100     1.700     1.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.28374E-02 ppm1      5.518 ppm2      2.510 CV     1
 ASSI {  681}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.300     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.16215E-01 ppm1      4.585 ppm2      2.503 CV     1
 ASSI {  682}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.300     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.17161E-01 ppm1      4.780 ppm2      2.495 CV     1
 ASSI {  688}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.700     1.400     1.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.63665E-02 ppm1      4.944 ppm2      2.459 CV     1
 ASSI {  689}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      6.000     5.000     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.602 ppm2      2.426 CV     1
 ASSI {  690}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.800     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.47631E-02 ppm1      4.450 ppm2      2.381 CV     1
 ASSI {  708}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HG13))
      2.800     1.500     1.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.47909E-02 ppm1      1.744 ppm2      1.013 CV     1
 ASSI {  709}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.300     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.15882E-01 ppm1      2.089 ppm2      0.946 CV     1
 ASSI {  712}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      2.300     1.200     1.200 peak   712 spectrum    1 weight  0.10000E+01 volume  0.15330E-01 ppm1      2.089 ppm2      0.845 CV     1
 ASSI {  714}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
      6.000     5.000     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.755 ppm2      0.846 CV     1
 ASSI {  716}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      6.000     5.000     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.895 ppm2      0.778 CV     1
 OR {  716}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI {  717}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.745 ppm2      0.787 CV     1
 ASSI {  719}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 65   and name HG2%)
      6.000     5.000     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      0.762 CV     1
 OR {  719}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 65   and name HG1%)
 ASSI {  721}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      0.739 CV     1
 ASSI {  723}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.600     1.400     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.74254E-02 ppm1      1.652 ppm2      0.721 CV     1
 ASSI {  724}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
      6.000     5.000     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      0.725 CV     1
 ASSI {  726}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      2.500     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.10519E-01 ppm1      1.755 ppm2      0.664 CV     1
 ASSI {  755}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
      6.000     5.000     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      1.791 CV     1
 ASSI {  766}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HD3 ))
      2.400     1.200     1.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.12904E-01 ppm1      3.607 ppm2      3.400 CV     1
 ASSI {  767}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HD3 ))
      2.200     1.100     1.100 peak   767 spectrum    1 weight  0.10000E+01 volume  0.20035E-01 ppm1      3.760 ppm2      3.524 CV     1
 ASSI {  768}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 69   and name HA2 ))
      2.400     1.200     1.200 peak   768 spectrum    1 weight  0.10000E+01 volume  0.13253E-01 ppm1      3.918 ppm2      3.749 CV     1
 ASSI {  769}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.600     1.600 peak   769 spectrum    1 weight  0.10000E+01 volume  0.32238E-02 ppm1      5.523 ppm2      9.843 CV     1
 ASSI {  770}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.700     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.31832E-02 ppm1      2.756 ppm2      9.844 CV     1
 ASSI {  771}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.49254E-02 ppm1      2.621 ppm2      9.844 CV     1
 ASSI {  772}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     5.000     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      2.760 CV     1
 ASSI {  773}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.13663E-01 ppm1      3.649 ppm2      9.547 CV     1
 ASSI {  774}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.500     2.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.58349E-03 ppm1      2.902 ppm2      9.462 CV     1
 ASSI {  775}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.500     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.56961E-03 ppm1      2.425 ppm2      9.462 CV     1
 ASSI {  776}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.800     1.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1      2.611 ppm2      9.455 CV     1
 ASSI {  777}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.25022E-02 ppm1      2.500 ppm2      9.455 CV     1
 ASSI {  778}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.49276E-02 ppm1      2.952 ppm2      9.059 CV     1
 ASSI {  779}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.700     1.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.28609E-02 ppm1      2.652 ppm2      9.059 CV     1
 ASSI {  780}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     1.300     1.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.10364E-01 ppm1      3.457 ppm2      9.012 CV     1
 ASSI {  781}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.900     1.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.17824E-02 ppm1      2.802 ppm2      9.055 CV     1
 ASSI {  782}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.600     1.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.39283E-02 ppm1      2.683 ppm2      9.054 CV     1
 ASSI {  783}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.900     1.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.18111E-02 ppm1      2.504 ppm2      8.918 CV     1
 ASSI {  785}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.700     1.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.29868E-02 ppm1      4.509 ppm2      2.048 CV     1
 ASSI {  786}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     1.300     1.300 peak   786 spectrum    1 weight  0.10000E+01 volume  0.10743E-01 ppm1      2.326 ppm2      2.048 CV     1
 OR {  786}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  787}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.11154E-01 ppm1      2.327 ppm2      1.961 CV     1
 OR {  787}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI {  788}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.000     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      0.684 CV     1
 ASSI {  791}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.500     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.43661E-02 ppm1      3.763 ppm2      8.634 CV     1
 ASSI {  792}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.000     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.730 CV     1
 OR {  792}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  793}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.600     1.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.38836E-02 ppm1      4.852 ppm2      8.564 CV     1
 ASSI {  795}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.500     1.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.46841E-02 ppm1      4.413 ppm2      8.598 CV     1
 ASSI {  796}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      6.000     5.000     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.760 ppm2      1.892 CV     1
 ASSI {  797}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
      2.700     1.400     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.65715E-02 ppm1      4.570 ppm2      2.751 CV     1
 ASSI {  798}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      2.400     1.200     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.12178E-01 ppm1      2.174 ppm2      2.013 CV     1
 ASSI {  799}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HG3 ))
      6.000     5.000     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      2.753 CV     1
 ASSI {  800}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.700     1.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.415 ppm2      8.598 CV     1
 ASSI {  802}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      0.589 CV     1
 ASSI {  803}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.729 ppm2      0.591 CV     1
 ASSI {  804}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.800     1.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.23357E-02 ppm1      2.789 ppm2      8.626 CV     1
 ASSI {  805}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.000     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.834 ppm2      8.626 CV     1
 ASSI {  806}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.60868E-02 ppm1      2.517 ppm2      8.566 CV     1
 ASSI {  807}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.800     1.500     1.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.53161E-02 ppm1      4.852 ppm2      2.516 CV     1
 ASSI {  808}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     1.400     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.71052E-02 ppm1      4.347 ppm2      3.674 CV     1
 ASSI {  809}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     5.000     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.735 ppm2      1.613 CV     1
 ASSI {  810}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG3 ))
      2.300     1.200     1.200 peak   810 spectrum    1 weight  0.10000E+01 volume  0.17080E-01 ppm1      2.165 ppm2      2.089 CV     1
 ASSI {  814}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
      2.300     1.200     1.200 peak   814 spectrum    1 weight  0.10000E+01 volume  0.16164E-01 ppm1      2.597 ppm2      2.380 CV     1
 ASSI {  815}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 46   and name HG2%)
      6.000     5.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      0.845 CV     1
 ASSI {  816}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HB% )
      6.000     5.000     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      1.241 CV     1
 ASSI {  818}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     2.200     2.200 peak   818 spectrum    1 weight  0.10000E+01 volume  0.90715E-03 ppm1      0.903 ppm2      8.273 CV     1
 OR {  818}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  823}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.900     1.500     1.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.42828E-02 ppm1      3.986 ppm2      8.288 CV     1
 ASSI {  824}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     5.000     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      8.249 CV     1
 ASSI {  825}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.000     1.600     1.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.32046E-02 ppm1      4.479 ppm2      2.590 CV     1
 ASSI {  826}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     1.400     1.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.65459E-02 ppm1      4.479 ppm2      2.672 CV     1
 ASSI {  827}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      8.257 CV     1
 ASSI {  828}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.043 ppm2      8.257 CV     1
 ASSI {  830}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     5.000     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.727 ppm2      8.135 CV     1
 ASSI {  832}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      2.700     1.400     1.400 peak   832 spectrum    1 weight  0.10000E+01 volume  0.66334E-02 ppm1      4.402 ppm2      3.779 CV     1
 ASSI {  835}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      6.000     5.000     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.059 CV     1
 ASSI {  836}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.000     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.619 ppm2      0.684 CV     1
 ASSI {  837}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.600     1.400     1.400 peak   837 spectrum    1 weight  0.10000E+01 volume  0.78567E-02 ppm1      4.674 ppm2      2.739 CV     1
 ASSI {  838}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.900     1.500     1.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.43511E-02 ppm1      4.673 ppm2      2.630 CV     1
 ASSI {  840}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     5.000     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      8.051 CV     1
 ASSI {  841}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     1.200     1.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.12745E-01 ppm1      4.167 ppm2      8.049 CV     1
 ASSI {  843}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     5.000     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      8.052 CV     1
 ASSI {  844}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     5.000     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2      0.769 CV     1
 ASSI {  845}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     5.000     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.508 ppm2      0.763 CV     1
 OR {  845}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI {  846}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     5.000     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2      0.701 CV     1
 ASSI {  847}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     5.000     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.508 ppm2      0.700 CV     1
 OR {  847}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  848}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 34   and name HD2%)
      6.000     5.000     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      0.698 CV     1
 ASSI {  849}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     2.000     2.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.15092E-02 ppm1      4.610 ppm2      8.102 CV     1
 ASSI {  850}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.600     1.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.39326E-02 ppm1      4.620 ppm2      8.064 CV     1
 ASSI {  851}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.600     1.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.36338E-02 ppm1      3.692 ppm2      8.064 CV     1
 OR {  851}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  852}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     5.000     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      1.502 CV     1
 OR {  852}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  853}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HG  ))
      6.000     5.000     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      1.426 CV     1
 ASSI {  854}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD2%)
      6.000     5.000     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      0.768 CV     1
 OR {  854}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI {  855}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.300     1.900     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.18929E-02 ppm1      4.511 ppm2      2.281 CV     1
 ASSI {  856}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.47738E-02 ppm1      0.789 ppm2      7.964 CV     1
 ASSI {  857}
   (( segid "    " and resid 35   and name HG12))
   (( segid "    " and resid 35   and name HG13))
      6.000     5.000     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.357 ppm2      1.015 CV     1
 ASSI {  858}
   (( segid "    " and resid 35   and name HG12))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      0.697 CV     1
 ASSI {  859}
   (( segid "    " and resid 35   and name HG13))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.015 ppm2      0.696 CV     1
 ASSI {  860}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HG12))
      2.800     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.46884E-02 ppm1      1.743 ppm2      1.355 CV     1
 ASSI {  864}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      2.400     1.200     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.11975E-01 ppm1      3.840 ppm2      0.785 CV     1
 OR {  864}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  865}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG1%)
      6.000     5.000     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      0.785 CV     1
 OR {  865}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  867}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     1.300     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.98359E-02 ppm1      3.845 ppm2      3.670 CV     1
 ASSI {  871}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB  ))
      6.000     5.000     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.046 ppm2      1.151 CV     1
 OR {  871}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG13))
 ASSI {  873}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      6.000     5.000     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.046 ppm2      0.759 CV     1
 ASSI {  874}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     1.200     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.13891E-01 ppm1      4.600 ppm2      7.052 CV     1
 ASSI {  875}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     1.400     1.400 peak   875 spectrum    1 weight  0.10000E+01 volume  0.72995E-02 ppm1      3.752 ppm2      8.446 CV     1
 ASSI {  877}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     5.000     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.918 CV     1
 ASSI {  878}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     5.000     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.400 ppm2      1.907 CV     1
 ASSI {  879}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     5.000     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.770 ppm2      1.797 CV     1
 ASSI {  881}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     2.200     2.200 peak   881 spectrum    1 weight  0.10000E+01 volume  0.92807E-03 ppm1      3.770 ppm2      2.142 CV     1
 ASSI {  883}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.200     1.800     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.22310E-02 ppm1      3.400 ppm2      2.208 CV     1
 ASSI {  884}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      2.600     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.76795E-02 ppm1      4.408 ppm2      3.874 CV     1
 ASSI {  885}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     5.000     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      2.150 CV     1
 ASSI {  886}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     5.000     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.871 CV     1
 ASSI {  887}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     5.000     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.573 ppm2      1.916 CV     1
 ASSI {  890}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD2 ))
      2.800     1.500     1.500 peak   890 spectrum    1 weight  0.10000E+01 volume  0.53886E-02 ppm1      4.283 ppm2      3.763 CV     1
 ASSI {  891}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     5.000     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      2.142 CV     1
 ASSI {  892}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      6.000     5.000     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      1.898 CV     1
 ASSI {  894}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     5.000     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      1.797 CV     1
 ASSI {  895}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HG2 ))
      6.000     5.000     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.771 ppm2      1.896 CV     1
 OR {  895}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {  896}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.400     1.900     1.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.15963E-02 ppm1      3.525 ppm2      2.142 CV     1
 ASSI {  897}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HG3 ))
      6.000     5.000     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.524 ppm2      1.894 CV     1
 ASSI {  899}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     5.000     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.523 ppm2      1.797 CV     1
 ASSI {  900}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.23997E-02 ppm1      3.257 ppm2      8.720 CV     1
 ASSI {  914}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      3.700     2.200     2.200 peak   914 spectrum    1 weight  0.10000E+01 volume  0.97354E-03 ppm1      5.112 ppm2      1.875 CV     1
 ASSI {  915}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.600     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.39220E-02 ppm1      4.654 ppm2      8.335 CV     1
 ASSI {  916}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10724E-01 ppm1      3.768 ppm2      8.293 CV     1
 OR {  916}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  917}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      2.500     1.300     1.300 peak   917 spectrum    1 weight  0.10000E+01 volume  0.10645E-01 ppm1      1.050 ppm2      8.246 CV     1
 ASSI {  918}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HG2%)
      6.000     5.000     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      1.050 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
      3.100     1.700     1.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.27925E-02 ppm1      3.468 ppm2      1.517 CV     1
 ASSI {  921}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     5.000     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      1.517 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.800     2.300     2.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.82538E-03 ppm1      3.468 ppm2      2.093 CV     1
 ASSI {  927}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.700     1.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.26431E-02 ppm1      2.282 ppm2      8.584 CV     1
 ASSI {  928}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.600     1.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.32579E-02 ppm1      3.083 ppm2      8.584 CV     1
 ASSI {  929}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.700     1.700 peak   929 spectrum    1 weight  0.10000E+01 volume  0.27882E-02 ppm1      4.511 ppm2      8.586 CV     1
 ASSI {  930}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      2.800     1.500     1.500 peak   930 spectrum    1 weight  0.10000E+01 volume  0.49233E-02 ppm1      4.698 ppm2      3.468 CV     1
 ASSI {  931}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
      2.900     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.38899E-02 ppm1      4.698 ppm2      3.578 CV     1
 ASSI {  932}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     1.200     1.200 peak   932 spectrum    1 weight  0.10000E+01 volume  0.12099E-01 ppm1      5.110 ppm2      9.455 CV     1
 ASSI {  933}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.600     1.600 peak   933 spectrum    1 weight  0.10000E+01 volume  0.40586E-02 ppm1      1.521 ppm2      9.454 CV     1
 ASSI {  934}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.800     1.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.24232E-02 ppm1      1.848 ppm2      9.454 CV     1
 ASSI {  935}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.400     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.57046E-02 ppm1      2.501 ppm2      9.058 CV     1
 ASSI {  936}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     2.000     2.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      2.608 ppm2      9.057 CV     1
 ASSI {  937}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     1.400     1.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.67871E-02 ppm1      4.552 ppm2      9.059 CV     1
 ASSI {  938}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     1.200     1.200 peak   938 spectrum    1 weight  0.10000E+01 volume  0.14006E-01 ppm1      5.287 ppm2      9.842 CV     1
 ASSI {  939}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.700     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.25577E-02 ppm1      2.955 ppm2      9.844 CV     1
 ASSI {  940}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.11341E-01 ppm1      5.523 ppm2      8.860 CV     1
 ASSI {  941}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.900     1.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.16992E-02 ppm1      2.621 ppm2      8.857 CV     1
 ASSI {  942}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.800     1.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.20660E-02 ppm1      2.750 ppm2      8.857 CV     1
 ASSI {  943}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     1.200     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.11646E-01 ppm1      2.500 ppm2      6.655 CV     1
 ASSI {  944}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.500     1.300     1.300 peak   944 spectrum    1 weight  0.10000E+01 volume  0.97974E-02 ppm1      2.608 ppm2      6.655 CV     1
 ASSI {  945}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.800     1.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      2.609 ppm2      6.454 CV     1
 ASSI {  946}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      3.100     1.700     1.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.27072E-02 ppm1      2.500 ppm2      6.454 CV     1
 ASSI {  947}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.23079E-01 ppm1      4.509 ppm2      8.710 CV     1
 ASSI {  948}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.500     1.500 peak   948 spectrum    1 weight  0.10000E+01 volume  0.54655E-02 ppm1      2.324 ppm2      8.710 CV     1
 OR {  948}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  949}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     1.400     1.400 peak   949 spectrum    1 weight  0.10000E+01 volume  0.60740E-02 ppm1      2.054 ppm2      8.710 CV     1
 ASSI {  950}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.700     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.26089E-02 ppm1      1.961 ppm2      8.710 CV     1
 ASSI {  951}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.500     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.45347E-02 ppm1      3.728 ppm2      8.637 CV     1
 OR {  951}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  952}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     1.100     1.100 peak   952 spectrum    1 weight  0.10000E+01 volume  0.18640E-01 ppm1      4.407 ppm2      8.637 CV     1
 ASSI {  953}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     1.200     1.200 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13734E-01 ppm1      4.568 ppm2      8.458 CV     1
 ASSI {  954}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     1.400     1.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.60740E-02 ppm1      2.013 ppm2      8.456 CV     1
 ASSI {  955}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.600     1.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.39711E-02 ppm1      2.172 ppm2      8.458 CV     1
 ASSI {  956}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.600     1.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.40906E-02 ppm1      2.753 ppm2      8.456 CV     1
 ASSI {  960}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.500     1.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.52029E-02 ppm1      3.845 ppm2      8.565 CV     1
 ASSI {  961}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     1.400     1.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.63323E-02 ppm1      3.673 ppm2      8.565 CV     1
 ASSI {  962}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.600     1.400     1.400 peak   962 spectrum    1 weight  0.10000E+01 volume  0.77308E-02 ppm1      1.124 ppm2      8.565 CV     1
 ASSI {  963}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.600     1.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.40543E-02 ppm1      4.852 ppm2      8.515 CV     1
 ASSI {  964}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.900     1.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      2.978 ppm2      8.516 CV     1
 ASSI {  965}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.900     1.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.16747E-02 ppm1      2.517 ppm2      8.515 CV     1
 ASSI {  966}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.600     1.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.39368E-02 ppm1      4.348 ppm2      7.453 CV     1
 ASSI {  967}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     2.300     2.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.85378E-03 ppm1      3.674 ppm2      7.449 CV     1
 ASSI {  968}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     2.400     2.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.73144E-03 ppm1      3.788 ppm2      7.450 CV     1
 ASSI {  969}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     1.200     1.200 peak   969 spectrum    1 weight  0.10000E+01 volume  0.13335E-01 ppm1      4.044 ppm2      8.662 CV     1
 ASSI {  970}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.000     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.150 ppm2      8.664 CV     1
 ASSI {  971}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.000     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.759 ppm2      8.666 CV     1
 ASSI {  973}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.200     1.100     1.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.19159E-01 ppm1      4.944 ppm2      9.546 CV     1
 ASSI {  976}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.500     1.500 peak   976 spectrum    1 weight  0.10000E+01 volume  0.48378E-02 ppm1      5.594 ppm2      8.271 CV     1
 ASSI {  977}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     2.300     2.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.84353E-03 ppm1      2.423 ppm2      8.274 CV     1
 ASSI {  978}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.902 ppm2      8.277 CV     1
 ASSI {  979}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.81236E-02 ppm1      3.965 ppm2      8.399 CV     1
 ASSI {  982}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     1.300     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.97995E-02 ppm1      4.449 ppm2      8.354 CV     1
 ASSI {  983}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.600     1.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.33263E-02 ppm1      2.379 ppm2      8.354 CV     1
 ASSI {  984}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.000     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.597 ppm2      8.354 CV     1
 ASSI {  985}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     1.200     1.200 peak   985 spectrum    1 weight  0.10000E+01 volume  0.12647E-01 ppm1      4.585 ppm2      7.890 CV     1
 ASSI {  986}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.700     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      2.637 ppm2      7.890 CV     1
 ASSI {  987}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.800     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.23100E-02 ppm1      2.505 ppm2      7.891 CV     1
 ASSI {  988}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD% )
      2.500     1.300     1.300 peak   988 spectrum    1 weight  0.10000E+01 volume  0.94216E-02 ppm1      4.742 ppm2      6.986 CV     1
 ASSI {  989}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HE% )
      3.900     2.400     2.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.72973E-03 ppm1      4.741 ppm2      7.079 CV     1
 ASSI {  990}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HD% )
      2.100     1.100     1.100 peak   990 spectrum    1 weight  0.10000E+01 volume  0.26816E-01 ppm1      2.855 ppm2      6.985 CV     1
 OR {  990}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD% )
 ASSI {  991}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HE% )
      3.000     1.600     1.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32729E-02 ppm1      2.853 ppm2      7.079 CV     1
 OR {  991}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HE% )
 ASSI {  992}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     5.000     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.068 ppm2      8.248 CV     1
 ASSI {  993}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     1.400     1.400 peak   993 spectrum    1 weight  0.10000E+01 volume  0.60057E-02 ppm1      2.002 ppm2      8.248 CV     1
 ASSI {  994}
   (  segid "    " and resid 65   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
      2.100     1.100     1.100 peak   994 spectrum    1 weight  0.10000E+01 volume  0.25683E-01 ppm1      0.762 ppm2      8.246 CV     1
 ASSI {  995}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.100     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.25748E-01 ppm1      4.176 ppm2      8.388 CV     1
 ASSI {  996}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     1.400     1.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.61552E-02 ppm1      4.061 ppm2      8.387 CV     1
 ASSI {  997}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      2.500     1.300     1.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.90886E-02 ppm1      1.051 ppm2      8.387 CV     1
 ASSI {  998}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.200     1.100     1.100 peak   998 spectrum    1 weight  0.10000E+01 volume  0.22097E-01 ppm1      4.690 ppm2      8.173 CV     1
 ASSI {  999}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.500     1.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.47353E-02 ppm1      2.747 ppm2      8.174 CV     1
 ASSI { 1000}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.700     1.700 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.31085E-02 ppm1      2.629 ppm2      8.174 CV     1
 ASSI { 1001}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     1.100     1.100 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.20094E-01 ppm1      4.208 ppm2      8.445 CV     1
 ASSI { 1002}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.500     1.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.52819E-02 ppm1      3.920 ppm2      8.138 CV     1
 ASSI { 1003}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     5.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.753 ppm2      8.138 CV     1
 ASSI { 1004}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.400     1.200     1.200 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.14744E-01 ppm1      4.675 ppm2      8.293 CV     1
 ASSI { 1005}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.000     1.700     1.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.31405E-02 ppm1      2.740 ppm2      8.291 CV     1
 ASSI { 1006}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.500     1.500 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.43404E-02 ppm1      2.631 ppm2      8.291 CV     1
 ASSI { 1007}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.500     1.500 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.45240E-02 ppm1      4.246 ppm2      7.935 CV     1
 ASSI { 1008}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.500     1.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.47268E-02 ppm1      3.767 ppm2      7.935 CV     1
 OR { 1008}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1009}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     1.400     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.64754E-02 ppm1      4.017 ppm2      8.617 CV     1
 ASSI { 1014}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.48955E-02 ppm1      3.418 ppm2      8.916 CV     1
 ASSI { 1015}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.14811E-01 ppm1      5.517 ppm2      8.261 CV     1
 ASSI { 1016}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.50556E-02 ppm1      4.787 ppm2      8.693 CV     1
 ASSI { 1017}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     1.400     1.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.75151E-02 ppm1      2.089 ppm2      8.694 CV     1
 ASSI { 1018}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.000     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      8.694 CV     1
 ASSI { 1019}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      2.500     1.300     1.300 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.95177E-02 ppm1      0.946 ppm2      8.694 CV     1
 ASSI { 1020}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     1.400     1.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.66611E-02 ppm1      3.284 ppm2      8.030 CV     1
 ASSI { 1021}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     1.300     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.86317E-02 ppm1      1.755 ppm2      8.694 CV     1
 ASSI { 1022}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      2.300     1.200     1.200 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.15397E-01 ppm1      0.664 ppm2      8.694 CV     1
 ASSI { 1023}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.000     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.846 ppm2      8.694 CV     1
 ASSI { 1024}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.700     1.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.31235E-02 ppm1      1.755 ppm2      8.029 CV     1
 ASSI { 1025}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.900     1.900 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      0.846 ppm2      8.029 CV     1
 ASSI { 1026}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.700     1.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.31363E-02 ppm1      0.664 ppm2      8.029 CV     1
 ASSI { 1027}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 48   and name HA2 ))
      2.300     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.16520E-01 ppm1      3.937 ppm2      2.655 CV     1
 ASSI { 1028}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     1.300     1.300 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.80083E-02 ppm1      3.937 ppm2      7.883 CV     1
 ASSI { 1029}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.35889E-02 ppm1      2.656 ppm2      7.881 CV     1
 ASSI { 1030}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.500     1.500 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.56385E-02 ppm1      3.840 ppm2      8.720 CV     1
 ASSI { 1031}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      2.500     1.300     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.95946E-02 ppm1      0.783 ppm2      8.720 CV     1
 OR { 1031}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1032}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.800     1.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.22823E-02 ppm1      1.752 ppm2      8.715 CV     1
 ASSI { 1033}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.97483E-02 ppm1      3.258 ppm2      9.009 CV     1
 ASSI { 1034}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.700     1.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.31598E-02 ppm1      1.643 ppm2      9.011 CV     1
 ASSI { 1035}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      9.009 CV     1
 ASSI { 1036}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.42828E-02 ppm1      0.717 ppm2      9.009 CV     1
 ASSI { 1038}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.600     1.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.39882E-02 ppm1      4.270 ppm2      8.109 CV     1
 ASSI { 1039}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.600     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      3.457 ppm2      8.109 CV     1
 ASSI { 1040}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.17707E-01 ppm1      4.410 ppm2      8.512 CV     1
 ASSI { 1041}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     1.200     1.200 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.11608E-01 ppm1      3.871 ppm2      8.511 CV     1
 ASSI { 1042}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.200     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.22866E-01 ppm1      4.389 ppm2      8.258 CV     1
 ASSI { 1043}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      8.257 CV     1
 OR { 1043}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1046}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     1.100     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.22972E-01 ppm1      4.274 ppm2      8.470 CV     1
 ASSI { 1047}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.700     1.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.28715E-02 ppm1      2.140 ppm2      8.470 CV     1
 ASSI { 1048}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.500     1.500 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.54506E-02 ppm1      1.796 ppm2      8.471 CV     1
 ASSI { 1049}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.500     1.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.48549E-02 ppm1      4.157 ppm2      8.319 CV     1
 ASSI { 1050}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.100     1.100     1.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.27669E-01 ppm1      4.402 ppm2      8.869 CV     1
 ASSI { 1051}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      2.400     1.200     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.12678E-01 ppm1      1.054 ppm2      8.869 CV     1
 ASSI { 1052}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10775E-01 ppm1      3.612 ppm2      8.829 CV     1
 OR { 1052}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1053}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     1.200     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.17056E-01 ppm1      4.654 ppm2      8.829 CV     1
 ASSI { 1057}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     1.300     1.300 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.10008E-01 ppm1      4.731 ppm2      8.978 CV     1
 ASSI { 1058}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.600     1.600 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.32943E-02 ppm1      1.792 ppm2      8.978 CV     1
 ASSI { 1059}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.600     1.600 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.37554E-02 ppm1      1.615 ppm2      8.978 CV     1
 ASSI { 1060}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.800     1.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.22610E-02 ppm1      2.086 ppm2      8.980 CV     1
 ASSI { 1062}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     1.200     1.200 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.12489E-01 ppm1      5.401 ppm2      9.458 CV     1
 ASSI { 1063}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.800     1.800 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      2.683 ppm2      9.458 CV     1
 ASSI { 1064}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.400     1.900     1.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.17331E-02 ppm1      2.802 ppm2      9.458 CV     1
 ASSI { 1065}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HE21))
      2.700     1.400     1.400 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.66013E-02 ppm1      2.326 ppm2      7.562 CV     1
 OR { 1065}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE21))
 ASSI { 1066}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HE22))
      2.700     1.400     1.400 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.69622E-02 ppm1      2.326 ppm2      6.818 CV     1
 OR { 1066}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE22))
 ASSI { 1067}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.200     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.19554E-01 ppm1      3.763 ppm2      8.880 CV     1
 ASSI { 1068}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.800     1.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.21095E-02 ppm1      1.892 ppm2      8.878 CV     1
 ASSI { 1070}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 6    and name HD3 ))
      2.700     1.400     1.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.68213E-02 ppm1      4.564 ppm2      3.401 CV     1
 ASSI { 1071}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.600     1.400     1.400 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.78973E-02 ppm1      4.564 ppm2      3.605 CV     1
 ASSI { 1072}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.600     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.73635E-02 ppm1      3.879 ppm2      3.604 CV     1
 ASSI { 1073}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 6    and name HD3 ))
      2.600     1.300     1.300 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.82560E-02 ppm1      3.878 ppm2      3.400 CV     1
 ASSI { 1074}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.700     1.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.29100E-02 ppm1      2.211 ppm2      8.616 CV     1
 ASSI { 1075}
   (( segid "    " and resid 59   and name HE3 ))
   (  segid "    " and resid 59   and name HZ% )
      3.200     1.800     1.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.22247E-02 ppm1      2.546 ppm2      7.585 CV     1
 ASSI { 1077}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     1.200     1.200 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.17541E-01 ppm1      4.282 ppm2      8.143 CV     1
 ASSI { 1078}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     1.400     1.400 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.62833E-02 ppm1      2.148 ppm2      8.143 CV     1
 ASSI { 1079}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.15525E-02 ppm1      1.794 ppm2      8.145 CV     1
 ASSI { 1080}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.17852E-01 ppm1      3.881 ppm2      8.362 CV     1
 ASSI { 1081}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.700     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.27007E-02 ppm1      1.896 ppm2      8.362 CV     1
 ASSI { 1082}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.600     1.300     1.300 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.83563E-02 ppm1      0.777 ppm2      8.360 CV     1
 OR { 1082}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1083}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     1.100     1.100 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.25983E-01 ppm1      4.278 ppm2      8.379 CV     1
 ASSI { 1084}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.921 ppm2      8.379 CV     1
 ASSI { 1085}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     2.100     2.100 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      1.871 ppm2      8.379 CV     1
 ASSI { 1086}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.500     1.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.52606E-02 ppm1      2.151 ppm2      8.379 CV     1
 ASSI { 1087}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.700     1.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      4.780 ppm2      7.567 CV     1
 ASSI { 1088}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      2.800     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.56128E-02 ppm1      3.106 ppm2      7.443 CV     1
 ASSI { 1089}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.200     1.800     1.800 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.23313E-02 ppm1      3.109 ppm2      7.017 CV     1
 ASSI { 1090}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HD22))
      6.000     5.000     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.727 ppm2      7.017 CV     1
 ASSI { 1091}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HD21))
      3.000     1.600     1.600 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.33605E-02 ppm1      2.726 ppm2      7.443 CV     1
 ASSI { 1092}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.500     1.500 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.52755E-02 ppm1      4.781 ppm2      7.619 CV     1
 ASSI { 1093}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.600     1.600 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      5.550 ppm2      8.547 CV     1
 ASSI { 1094}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.500     1.500 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.42999E-02 ppm1      1.947 ppm2      8.547 CV     1
 ASSI { 1095}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      2.400     1.200     1.200 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.13511E-01 ppm1      0.727 ppm2      8.289 CV     1
 ASSI { 1096}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     5.000     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.811 ppm2      8.064 CV     1
 OR { 1096}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1097}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.300     1.200     1.200 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.17541E-01 ppm1      4.245 ppm2      8.626 CV     1
 ASSI { 1098}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.800     1.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.21926E-02 ppm1      2.835 ppm2      7.913 CV     1
 ASSI { 1100}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.37938E-02 ppm1      1.515 ppm2      7.915 CV     1
 ASSI { 1101}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      2.100     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.27606E-01 ppm1      1.276 ppm2      8.335 CV     1
 ASSI { 1102}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.500     1.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.54143E-02 ppm1      4.600 ppm2      8.335 CV     1
 ASSI { 1103}
   (( segid "    " and resid 35   and name HG12))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.500     1.500 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.42294E-02 ppm1      1.358 ppm2      7.964 CV     1
 ASSI { 1109}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.64135E-02 ppm1      4.747 ppm2      8.748 CV     1
 ASSI { 1110}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.600     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.39882E-02 ppm1      2.853 ppm2      8.747 CV     1
 ASSI { 1112}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     1.300     1.300 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.11437E-01 ppm1      4.245 ppm2      8.086 CV     1
 ASSI { 1113}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.700     1.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.26388E-02 ppm1      4.621 ppm2      8.086 CV     1
 ASSI { 1114}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.500     1.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.52264E-02 ppm1      4.128 ppm2      7.052 CV     1
 ASSI { 1115}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.500     1.500 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.49873E-02 ppm1      3.649 ppm2      7.052 CV     1
 ASSI { 1116}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      8.103 CV     1
 ASSI { 1119}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     1.200     1.200 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.11608E-01 ppm1      4.169 ppm2      7.964 CV     1
 ASSI { 1120}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.700     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.25598E-02 ppm1      1.508 ppm2      7.963 CV     1
 OR { 1120}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1121}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.500     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.45902E-02 ppm1      1.420 ppm2      7.963 CV     1
 ASSI { 1122}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     1.200     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.11909E-01 ppm1      3.789 ppm2      7.914 CV     1
 OR { 1122}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1123}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.175 ppm2      8.238 CV     1
 ASSI { 1124}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.700     1.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.31832E-02 ppm1      1.425 ppm2      8.237 CV     1
 ASSI { 1125}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.82580E-02 ppm1      1.502 ppm2      8.237 CV     1
 OR { 1125}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1126}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     1.300     1.300 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.95668E-02 ppm1      4.479 ppm2      8.049 CV     1
 ASSI { 1127}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     2.200     2.200 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.10321E-02 ppm1      2.591 ppm2      8.049 CV     1
 ASSI { 1128}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     2.200     2.200 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.96779E-03 ppm1      2.672 ppm2      8.049 CV     1
 ASSI { 1129}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HE21))
      3.600     2.100     2.100 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      2.094 ppm2      7.381 CV     1
 ASSI { 1130}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE21))
      3.700     2.200     2.200 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.94109E-03 ppm1      2.164 ppm2      7.381 CV     1
 ASSI { 1131}
   (( segid "    " and resid 53   and name HE21))
   (( segid "    " and resid 53   and name HE22))
      1.900     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.51240E-01 ppm1      7.386 ppm2      6.742 CV     1
 ASSI { 1132}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE22))
      3.800     2.300     2.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.87619E-03 ppm1      2.164 ppm2      6.742 CV     1
 ASSI { 1133}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.800     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.20432E-02 ppm1      2.164 ppm2      8.978 CV     1
 ASSI { 1134}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     5.000     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.400 ppm2      1.866 CV     1
 ASSI { 1135}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     5.000     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.400 ppm2      1.818 CV     1
 ASSI { 1136}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.800     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.19797E-02 ppm1      2.788 ppm2      7.913 CV     1
 ASSI { 1137}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      1.961 CV     1
 ASSI { 1140}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.299 ppm2      0.698 CV     1
 ASSI { 1145}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     5.000     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.516 ppm2      2.732 CV     1
 ASSI { 1146}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG13))
      3.100     1.700     1.700 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.28822E-02 ppm1      1.652 ppm2      0.902 CV     1
 ASSI { 1147}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HG13))
      3.200     1.800     1.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.21777E-02 ppm1      1.440 ppm2      0.902 CV     1
 ASSI { 1149}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     1.400     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.68105E-02 ppm1      1.642 ppm2      8.720 CV     1
 ASSI { 1150}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      8.720 CV     1
 ASSI { 1151}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      2.700     1.400     1.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.62768E-02 ppm1      0.716 ppm2      8.720 CV     1
 ASSI { 1152}
   (( segid "    " and resid 50   and name HG13))
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.600     1.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.35291E-02 ppm1      0.914 ppm2      8.720 CV     1
 ASSI { 1153}
   (( segid "    " and resid 50   and name HG13))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.29377E-02 ppm1      0.914 ppm2      9.011 CV     1
 ASSI { 1154}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     1.300     1.300 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.89306E-02 ppm1      4.619 ppm2      1.886 CV     1
 ASSI { 1155}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.700     1.400     1.400 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.71650E-02 ppm1      4.619 ppm2      0.739 CV     1
 ASSI { 1156}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     1.300     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.94387E-02 ppm1      4.773 ppm2      9.053 CV     1
 ASSI { 1161}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.47482E-02 ppm1      0.593 ppm2      8.289 CV     1
 ASSI { 1162}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.200     1.100     1.100 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.23250E-01 ppm1      4.023 ppm2      8.289 CV     1
 ASSI { 1163}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      2.600     1.400     1.400 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.72290E-02 ppm1      1.244 ppm2      8.136 CV     1
 ASSI { 1164}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.500     1.500 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.55445E-02 ppm1      4.133 ppm2      8.136 CV     1
 ASSI { 1165}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     1.300     1.300 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.88004E-02 ppm1      4.503 ppm2      8.305 CV     1
 ASSI { 1166}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.000     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.568 ppm2      8.305 CV     1
 ASSI { 1167}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.800     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.24061E-02 ppm1      2.680 ppm2      8.305 CV     1
 ASSI { 1168}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.47439E-02 ppm1      4.619 ppm2      9.014 CV     1
 ASSI { 1169}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.700     1.700 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.27648E-02 ppm1      1.885 ppm2      9.015 CV     1
 ASSI { 1170}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.500     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.47952E-02 ppm1      0.684 ppm2      9.015 CV     1
 ASSI { 1171}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.500     1.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.50598E-02 ppm1      0.738 ppm2      9.015 CV     1
 ASSI { 1174}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HE3 ))
      6.000     5.000     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      2.546 CV     1
 ASSI { 1183}
   (( segid "    " and resid 59   and name HE2 ))
   (  segid "    " and resid 59   and name HZ% )
      2.700     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.60569E-02 ppm1      2.771 ppm2      7.585 CV     1
 ASSI { 1185}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 81   and name HN  ))
      3.500     2.000     2.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.13307E-02 ppm1      2.768 ppm2      8.547 CV     1
 ASSI { 1186}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.600     1.600 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.35462E-02 ppm1      2.872 ppm2      8.547 CV     1
 ASSI { 1187}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      2.200     1.100     1.100 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.21194E-01 ppm1      1.269 ppm2      8.180 CV     1
 ASSI { 1189}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.700     1.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.26452E-02 ppm1      2.506 ppm2      8.262 CV     1
 ASSI { 1190}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.500     1.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.44557E-02 ppm1      2.731 ppm2      8.262 CV     1
 ASSI { 1194}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.500     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.54229E-02 ppm1      1.059 ppm2      8.445 CV     1
 ASSI { 1197}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     5.000     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.462 ppm2      1.796 CV     1
 OR { 1197}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI { 1198}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     5.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      1.796 CV     1
 ASSI { 1199}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD3 ))
      6.000     5.000     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.695 ppm2      3.574 CV     1
 ASSI { 1200}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
      6.000     5.000     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      3.464 CV     1
 OR { 1200}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI { 1201}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     5.000     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.697 ppm2      1.811 CV     1
 ASSI { 1202}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     5.000     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.573 ppm2      1.810 CV     1
 ASSI { 1203}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     5.000     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.811 CV     1
 ASSI { 1206}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      6.000     5.000     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.554 ppm2      3.783 CV     1
 ASSI { 1209}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.49211E-02 ppm1      4.614 ppm2      9.843 CV     1
 ASSI { 1210}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.800     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.24467E-02 ppm1      3.612 ppm2      9.843 CV     1
 OR { 1210}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1212}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.700     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.26730E-02 ppm1      1.279 ppm2      9.842 CV     1
 ASSI { 1213}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     2.100     2.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      1.119 ppm2      9.842 CV     1
 OR { 1213}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1215}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      3.800     2.300     2.200 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.79250E-03 ppm1      0.735 ppm2      9.841 CV     1
 ASSI { 1224}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.800     1.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      2.462 ppm2      9.546 CV     1
 ASSI { 1225}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.700     1.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.31000E-02 ppm1      2.889 ppm2      9.546 CV     1
 ASSI { 1229}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     2.100     2.100 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      4.610 ppm2      9.452 CV     1
 ASSI { 1234}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.400     2.000     2.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.15654E-02 ppm1      5.110 ppm2      9.016 CV     1
 ASSI { 1236}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     2.200     2.200 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.10092E-02 ppm1      5.292 ppm2      9.016 CV     1
 ASSI { 1238}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     2.100     2.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      5.398 ppm2      8.588 CV     1
 ASSI { 1279}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 72   and name HE% )
      3.100     1.700     1.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.25770E-02 ppm1      0.950 ppm2      7.078 CV     1
 ASSI { 1282}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 72   and name HD% )
      2.800     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.53524E-02 ppm1      0.946 ppm2      6.986 CV     1
 ASSI { 1283}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 72   and name HD% )
      3.200     1.800     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.22823E-02 ppm1      0.846 ppm2      6.986 CV     1
 ASSI { 1327}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HE22))
      6.000     5.000     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      6.819 CV     1
 ASSI { 1331}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      2.700     1.400     1.400 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.58883E-02 ppm1      2.425 ppm2      6.455 CV     1
 ASSI { 1334}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.600     1.400     1.400 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.74745E-02 ppm1      2.900 ppm2      6.455 CV     1
 ASSI { 1335}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      2.900     1.500     1.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.42999E-02 ppm1      3.282 ppm2      6.455 CV     1
 ASSI { 1336}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.600     1.400     1.400 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.72483E-02 ppm1      3.285 ppm2      6.656 CV     1
 ASSI { 1345}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      3.000     1.600     1.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.35205E-02 ppm1      2.903 ppm2      6.654 CV     1
 ASSI { 1352}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
      2.900     1.500     1.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.43425E-02 ppm1      2.802 ppm2      6.814 CV     1
 ASSI { 1354}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.000     2.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.14533E-02 ppm1      5.603 ppm2      6.455 CV     1
 ASSI { 1356}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.300     1.900     1.900 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.19157E-02 ppm1      5.401 ppm2      6.454 CV     1
 ASSI { 1357}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.000     2.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.13794E-02 ppm1      5.111 ppm2      6.456 CV     1
 ASSI { 1360}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      4.400     2.900     1.600 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.35142E-03 ppm1      4.550 ppm2      6.453 CV     1
 ASSI { 1363}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      3.400     1.900     1.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.16489E-02 ppm1      4.511 ppm2      6.597 CV     1
 ASSI { 1366}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      2.800     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.52093E-02 ppm1      5.551 ppm2      6.596 CV     1
 ASSI { 1367}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      3.100     1.700     1.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.26858E-02 ppm1      5.603 ppm2      6.597 CV     1
 ASSI { 1369}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.900     1.500     1.500 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.43511E-02 ppm1      5.401 ppm2      6.653 CV     1
 ASSI { 1370}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      3.000     1.600     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.33050E-02 ppm1      5.112 ppm2      6.654 CV     1
 ASSI { 1373}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.600     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.77265E-02 ppm1      4.549 ppm2      6.654 CV     1
 ASSI { 1374}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      2.600     1.300     1.300 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.87107E-02 ppm1      4.511 ppm2      6.813 CV     1
 ASSI { 1377}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      3.600     2.200     2.200 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.10765E-02 ppm1      3.965 ppm2      6.814 CV     1
 ASSI { 1381}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      3.000     1.600     1.600 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.32793E-02 ppm1      5.553 ppm2      6.813 CV     1
 ASSI { 1382}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      2.900     1.600     1.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.38515E-02 ppm1      5.603 ppm2      6.813 CV     1
 ASSI { 1383}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      3.500     2.000     2.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.13474E-02 ppm1      5.401 ppm2      6.813 CV     1
 ASSI { 1385}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.500     1.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.42209E-02 ppm1      4.942 ppm2      7.052 CV     1
 ASSI { 1386}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 72   and name HE% )
      4.100     2.600     1.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.52968E-03 ppm1      4.420 ppm2      7.081 CV     1
 OR { 1386}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 1389}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 72   and name HD% )
      3.700     2.200     2.200 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.99409E-03 ppm1      4.419 ppm2      6.985 CV     1
 ASSI { 1408}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.800     1.800 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.22994E-02 ppm1      9.855 ppm2      8.335 CV     1
 ASSI { 1410}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.500     2.000     2.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.13971E-02 ppm1      9.547 ppm2      8.979 CV     1
 ASSI { 1411}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.800     1.800 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.24552E-02 ppm1      9.468 ppm2      9.018 CV     1
 ASSI { 1416}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     2.200     2.200 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      8.979 ppm2      8.512 CV     1
 ASSI { 1456}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.97461E-02 ppm1      9.549 ppm2      7.055 CV     1
 ASSI { 1457}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      3.100     1.700     1.700 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.25940E-02 ppm1      9.463 ppm2      6.812 CV     1
 ASSI { 1459}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
      3.400     1.900     1.900 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.16783E-02 ppm1      8.916 ppm2      6.983 CV     1
 ASSI { 1462}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      3.600     2.200     2.200 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.10602E-02 ppm1      8.923 ppm2      7.075 CV     1
 ASSI { 1464}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.900     1.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      8.336 ppm2      7.056 CV     1
 ASSI { 1471}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      2.400     1.200     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.12176E-01 ppm1      9.465 ppm2      6.656 CV     1
 ASSI { 1472}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.100     2.100 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.12598E-02 ppm1      9.462 ppm2      6.450 CV     1
 ASSI { 1475}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.458 ppm2      6.596 CV     1
 ASSI { 1496}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.500     2.000     2.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.14304E-02 ppm1      8.026 ppm2      6.654 CV     1
 ASSI { 1497}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      4.100     2.600     1.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.54911E-03 ppm1      7.917 ppm2      6.597 CV     1
 ASSI { 1498}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      2.500     1.300     1.300 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.93938E-02 ppm1      7.917 ppm2      6.812 CV     1
 ASSI { 1499}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.025 ppm2      6.453 CV     1
 ASSI { 1502}
   (  segid "    " and resid 17   and name HD% )
   (  segid "    " and resid 17   and name HE% )
      2.100     1.000     1.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.32857E-01 ppm1      6.657 ppm2      6.455 CV     1
 ASSI { 1503}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 14   and name HE% )
      2.100     1.100     1.100 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.25470E-01 ppm1      6.813 ppm2      6.597 CV     1
 ASSI { 1512}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
      2.700     1.400     1.400 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.57559E-02 ppm1      7.941 ppm2      6.985 CV     1
 ASSI { 1514}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      3.500     2.000     2.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.13529E-02 ppm1      7.940 ppm2      7.079 CV     1
 ASSI { 1515}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HD22))
      2.400     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.14399E-01 ppm1      7.444 ppm2      7.017 CV     1
 ASSI { 1516}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HD2 ))
      2.200     1.100     1.100 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.20144E-01 ppm1      4.043 ppm2      3.463 CV     1
 OR { 1516}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI { 1517}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 25   and name HD2 ))
      2.300     1.100     1.100 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.18718E-01 ppm1      3.903 ppm2      3.463 CV     1
 ASSI { 1537}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      4.000     2.500     2.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.58199E-03 ppm1      5.113 ppm2      1.125 CV     1
 OR { 1537}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 1585}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      3.500     2.000     2.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.14160E-02 ppm1      5.599 ppm2      0.593 CV     1
 ASSI { 1588}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      3.500     2.000     2.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      5.398 ppm2      0.592 CV     1
 ASSI { 1639}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.805 ppm2      0.591 CV     1
 ASSI { 1668}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.800     1.500     1.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.53054E-02 ppm1      2.088 ppm2      1.611 CV     1
 ASSI { 1669}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.900     1.500     1.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.42700E-02 ppm1      2.165 ppm2      1.611 CV     1
 ASSI { 1706}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     2.100     2.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      3.279 ppm2      9.058 CV     1
 ASSI { 1710}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      3.100     1.700     1.700 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.30124E-02 ppm1      2.425 ppm2      6.654 CV     1
 ASSI { 1725}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      3.900     2.400     2.100 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.66249E-03 ppm1      3.965 ppm2      6.598 CV     1
 ASSI { 1729}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 72   and name HD% )
      3.700     2.300     2.300 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.89946E-03 ppm1      2.087 ppm2      6.986 CV     1
 ASSI { 1745}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 72   and name HD% )
      3.700     2.300     2.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.90480E-03 ppm1      3.418 ppm2      6.984 CV     1
 ASSI { 1746}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
      2.600     1.300     1.300 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.84182E-02 ppm1      2.284 ppm2      6.813 CV     1
 ASSI { 1747}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
      3.200     1.800     1.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.23271E-02 ppm1      2.282 ppm2      6.597 CV     1
 ASSI { 1748}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
      2.600     1.300     1.300 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.88857E-02 ppm1      3.084 ppm2      6.812 CV     1
 ASSI { 1749}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
      3.200     1.800     1.800 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.21735E-02 ppm1      3.086 ppm2      6.597 CV     1
 ASSI { 1750}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      3.400     1.900     1.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.16567E-02 ppm1      3.109 ppm2      7.620 CV     1
 ASSI { 1751}
   (  segid "    " and resid 72   and name HE% )
   (  segid "    " and resid 72   and name HD% )
      6.000     5.000     0.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.079 ppm2      6.986 CV     1
 ASSI { 1756}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.000     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.886 ppm2      9.452 CV     1
 ASSI { 1768}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      6.457 CV     1
 ASSI { 1769}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.947 ppm2      6.653 CV     1
 ASSI { 1772}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB3 ))
      6.000     5.000     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.887 ppm2      2.457 CV     1
 ASSI { 1773}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     5.000     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.952 ppm2      2.652 CV     1
 ASSI { 1774}
   (( segid "    " and resid 20   and name HE21))
   (( segid "    " and resid 20   and name HE22))
      6.000     5.000     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.562 ppm2      6.819 CV     1
 ASSI { 1784}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      8.718 CV     1
 ASSI { 1792}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.295 ppm2      6.457 CV     1
 ASSI { 1793}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.295 ppm2      6.655 CV     1
 ASSI { 1794}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      6.655 CV     1
 ASSI { 1795}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      6.456 CV     1
 ASSI { 1796}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 17   and name HE% )
      2.300     1.100     1.100 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.18873E-01 ppm1      0.674 ppm2      6.455 CV     1
 ASSI { 1797}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
      2.500     1.300     1.300 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.10496E-01 ppm1      0.672 ppm2      6.653 CV     1
 ASSI { 1798}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 72   and name HD% )
      3.900     2.400     2.100 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.74382E-03 ppm1      2.504 ppm2      6.986 CV     1
 ASSI { 1800}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.800     1.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.20442E-02 ppm1      0.351 ppm2      7.453 CV     1
 ASSI { 1801}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.000     0.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.351 ppm2      8.666 CV     1
 ASSI { 1802}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 14   and name HE% )
      3.400     2.000     2.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14838E-02 ppm1      0.351 ppm2      6.597 CV     1
 ASSI { 1803}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 14   and name HE% )
      2.700     1.400     1.400 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.62448E-02 ppm1      0.757 ppm2      6.599 CV     1
 OR { 1803}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 1804}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 14   and name HE% )
      3.300     1.900     1.900 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      1.150 ppm2      6.600 CV     1
 ASSI { 1805}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 14   and name HD% )
      2.300     1.200     1.200 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.15180E-01 ppm1      0.759 ppm2      6.815 CV     1
 OR { 1805}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 14   and name HD% )
 ASSI { 1806}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 14   and name HD% )
      3.000     1.600     1.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.33135E-02 ppm1      0.351 ppm2      6.812 CV     1
 ASSI { 1807}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 11   and name HD1%)
      3.200     1.700     1.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.25065E-02 ppm1      0.749 ppm2      0.352 CV     1
 OR { 1807}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1808}
   (( segid "    " and resid 11   and name HG13))
   (  segid "    " and resid 11   and name HD1%)
      2.400     1.200     1.200 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.12571E-01 ppm1      1.150 ppm2      0.352 CV     1
 OR { 1808}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1809}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 14   and name HD% )
      2.700     1.400     1.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.70817E-02 ppm1      0.590 ppm2      6.815 CV     1
 ASSI { 1810}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 14   and name HE% )
      2.500     1.300     1.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.10056E-01 ppm1      0.590 ppm2      6.597 CV     1
 ASSI { 1811}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      2.900     1.500     1.500 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.41953E-02 ppm1      0.588 ppm2      0.352 CV     1
 ASSI { 1813}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.953 ppm2      6.598 CV     1
 ASSI { 1817}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 72   and name HE% )
      3.100     1.700     1.700 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.25961E-02 ppm1      2.506 ppm2      7.071 CV     1
 OR { 1817}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 1818}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.868 ppm2      8.635 CV     1
 ASSI { 1819}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.783 ppm2      8.637 CV     1
 ASSI { 1820}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.556 ppm2      8.637 CV     1
 ASSI { 1821}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.271 ppm2      8.633 CV     1
 ASSI { 1822}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      8.633 CV     1
 ASSI { 1823}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.551 ppm2      8.633 CV     1
 ASSI { 1824}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.532 ppm2      8.633 CV     1
 ASSI { 1825}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.271 ppm2      8.881 CV     1
 ASSI { 1826}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      8.881 CV     1
 ASSI { 1827}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.553 ppm2      8.881 CV     1
 ASSI { 1828}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.532 ppm2      8.881 CV     1
 ASSI { 1829}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HG13))
      6.000     5.000     0.000 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      1.269 CV     1
 ASSI { 1830}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HG12))
      6.000     5.000     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      0.957 CV     1
 ASSI { 1831}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      0.554 CV     1
 ASSI { 1832}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      0.528 CV     1
 ASSI { 1833}
   (( segid "    " and resid 4    and name HG13))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.269 ppm2      0.531 CV     1
 ASSI { 1834}
   (( segid "    " and resid 4    and name HG13))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.271 ppm2      0.552 CV     1
 ASSI { 1835}
   (( segid "    " and resid 4    and name HG12))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.953 ppm2      0.554 CV     1
 ASSI { 1836}
   (( segid "    " and resid 4    and name HG12))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      0.528 CV     1
 ASSI { 1837}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.763 ppm2      0.530 CV     1
 ASSI { 1838}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.763 ppm2      0.553 CV     1
 ASSI { 1839}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG12))
      3.000     1.700     1.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.31149E-02 ppm1      3.764 ppm2      0.955 CV     1
 ASSI { 1840}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG13))
      6.000     5.000     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.763 ppm2      1.269 CV     1
 ASSI { 1841}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.876 ppm2      8.182 CV     1
 ASSI { 1843}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     5.000     0.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      1.906 CV     1
 ASSI { 1844}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     5.000     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      1.868 CV     1
 ASSI { 1845}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     5.000     0.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      1.819 CV     1
 ASSI { 1846}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      8.615 CV     1
 ASSI { 1847}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      8.614 CV     1
 ASSI { 1848}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      8.615 CV     1
 ASSI { 1849}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.908 ppm2      8.616 CV     1
 ASSI { 1850}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.867 ppm2      8.615 CV     1
 ASSI { 1851}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     5.000     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.821 ppm2      8.615 CV     1
 ASSI { 1852}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     5.000     0.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.209 ppm2      1.819 CV     1
 ASSI { 1853}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     5.000     0.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.209 ppm2      1.867 CV     1
 ASSI { 1854}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     5.000     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.209 ppm2      1.906 CV     1
 ASSI { 1855}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     5.000     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      1.819 CV     1
 ASSI { 1856}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.801 ppm2      7.568 CV     1
 ASSI { 1857}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.494 ppm2      7.567 CV     1
 ASSI { 1858}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     5.000     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.801 ppm2      2.496 CV     1
 ASSI { 1859}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.494 ppm2      7.553 CV     1
 ASSI { 1860}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.802 ppm2      7.553 CV     1
 ASSI { 1861}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.780 ppm2      7.555 CV     1
 ASSI { 1862}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.497 ppm2      6.867 CV     1
 ASSI { 1863}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.802 ppm2      6.867 CV     1
 ASSI { 1864}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.782 ppm2      6.866 CV     1
 ASSI { 1865}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      6.869 CV     1
 ASSI { 1866}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      4.200     2.700     1.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.42956E-03 ppm1      4.785 ppm2      3.846 CV     1
 ASSI { 1867}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.700     1.700 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.27776E-02 ppm1      4.785 ppm2      3.671 CV     1
 ASSI { 1868}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     5.000     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.978 ppm2      2.516 CV     1
 ASSI { 1869}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      6.000     5.000     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.790 ppm2      3.674 CV     1
 ASSI { 1870}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.524 ppm2      7.451 CV     1
 ASSI { 1871}
   (( segid "    " and resid 11   and name HG12))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.759 ppm2      7.453 CV     1
 ASSI { 1872}
   (( segid "    " and resid 11   and name HG13))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.153 ppm2      7.455 CV     1
 ASSI { 1873}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      2.800     1.500     1.500 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.55039E-02 ppm1      4.046 ppm2      0.351 CV     1
 ASSI { 1874}
   (( segid "    " and resid 11   and name HG13))
   (( segid "    " and resid 11   and name HG12))
      6.000     5.000     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.150 ppm2      0.759 CV     1
 OR { 1874}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1875}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.663 ppm2      7.455 CV     1
 ASSI { 1876}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.000     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      8.624 CV     1
 OR { 1876}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1877}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      7.913 CV     1
 ASSI { 1878}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     5.000     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.087 ppm2      2.278 CV     1
 ASSI { 1879}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.589 ppm2      7.916 CV     1
 ASSI { 1880}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.823 ppm2      8.587 CV     1
 OR { 1880}
   (( segid "    " and resid 15   and name HE2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1881}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      8.586 CV     1
 ASSI { 1882}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      8.586 CV     1
 ASSI { 1883}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HG3 ))
      2.500     1.300     1.300 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.96757E-02 ppm1      2.821 ppm2      1.268 CV     1
 OR { 1883}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR { 1883}
   (( segid "    " and resid 15   and name HE2 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 1884}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HD2 ))
      6.000     5.000     0.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2      1.523 CV     1
 OR { 1884}
   (( segid "    " and resid 15   and name HE2 ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI { 1885}
   (( segid "    " and resid 15   and name HE2 ))
   (( segid "    " and resid 15   and name HD3 ))
      6.000     5.000     0.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2      1.552 CV     1
 OR { 1885}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HD3 ))
 ASSI { 1886}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      1.683 CV     1
 OR { 1886}
   (( segid "    " and resid 15   and name HE2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI { 1887}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.553 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD2 ))
      6.000     5.000     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.525 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
      6.000     5.000     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.270 CV     1
 OR { 1889}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 1890}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG3 ))
      6.000     5.000     0.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      1.268 CV     1
 OR { 1890}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 1891}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HG2 ))
      6.000     5.000     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      1.268 CV     1
 OR { 1891}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 1892}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.900     1.500     1.500 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.43468E-02 ppm1      4.698 ppm2      1.270 CV     1
 OR { 1892}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 1894}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD2 ))
      6.000     5.000     0.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      1.525 CV     1
 ASSI { 1895}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      1.555 CV     1
 ASSI { 1896}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.100     1.700     1.700 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.27541E-02 ppm1      4.698 ppm2      1.685 CV     1
 ASSI { 1897}
   (( segid "    " and resid 15   and name HE2 ))
   (  segid "    " and resid 15   and name HZ% )
      6.000     5.000     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2      7.439 CV     1
 OR { 1897}
   (( segid "    " and resid 15   and name HE3 ))
   (  segid "    " and resid 15   and name HZ% )
 ASSI { 1900}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 15   and name HZ% )
      6.000     5.000     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      7.439 CV     1
 OR { 1900}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 15   and name HZ% )
 ASSI { 1901}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
      6.000     5.000     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      1.553 CV     1
 ASSI { 1904}
   (( segid "    " and resid 15   and name HD3 ))
   (  segid "    " and resid 15   and name HZ% )
      6.000     5.000     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      7.439 CV     1
 ASSI { 1905}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 15   and name HZ% )
      6.000     5.000     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      7.439 CV     1
 ASSI { 1907}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      8.586 CV     1
 ASSI { 1908}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HZ% )
      6.000     5.000     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.695 ppm2      7.439 CV     1
 ASSI { 1909}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     5.000     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.577 ppm2      3.472 CV     1
 ASSI { 1910}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.576 ppm2      1.682 CV     1
 ASSI { 1911}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.473 ppm2      1.682 CV     1
 ASSI { 1914}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HG3 ))
      6.000     5.000     0.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.576 ppm2      1.267 CV     1
 OR { 1914}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 1915}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HG3 ))
      3.500     2.000     2.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.14176E-02 ppm1      3.470 ppm2      1.267 CV     1
 OR { 1915}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 1916}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     5.000     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      1.875 CV     1
 ASSI { 1917}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      1.851 CV     1
 ASSI { 1918}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.475 ppm2      1.851 CV     1
 ASSI { 1919}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     5.000     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.475 ppm2      1.870 CV     1
 ASSI { 1920}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      6.455 CV     1
 ASSI { 1921}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.475 ppm2      6.458 CV     1
 ASSI { 1922}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.000     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.092 ppm2      9.454 CV     1
 ASSI { 1923}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.000     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.574 ppm2      9.454 CV     1
 ASSI { 1924}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.000     0.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.474 ppm2      9.457 CV     1
 ASSI { 1925}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     5.000     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.550 ppm2      2.612 CV     1
 ASSI { 1926}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     5.000     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.550 ppm2      2.501 CV     1
 ASSI { 1927}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     5.000     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.652 ppm2      9.846 CV     1
 ASSI { 1928}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.463 ppm2      9.059 CV     1
 ASSI { 1930}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.463 ppm2      8.583 CV     1
 ASSI { 1931}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.845 ppm2      9.059 CV     1
 ASSI { 1932}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      6.000     5.000     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.762 ppm2      2.622 CV     1
 ASSI { 1933}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     5.000     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.845 ppm2      8.860 CV     1
 ASSI { 1934}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HE21))
      6.000     5.000     0.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      7.562 CV     1
 ASSI { 1935}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HE21))
      6.000     5.000     0.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.862 ppm2      7.562 CV     1
 ASSI { 1936}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.854 ppm2      8.712 CV     1
 ASSI { 1937}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.828 ppm2      8.458 CV     1
 ASSI { 1938}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.638 ppm2      8.459 CV     1
 ASSI { 1939}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.459 ppm2      8.259 CV     1
 ASSI { 1940}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     5.000     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.139 ppm2      1.796 CV     1
 ASSI { 1941}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     5.000     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.139 ppm2      1.861 CV     1
 OR { 1941}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 1942}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.000     0.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.464 ppm2      8.469 CV     1
 OR { 1942}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1943}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.000     0.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.860 ppm2      8.470 CV     1
 OR { 1943}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1944}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     5.000     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.472 ppm2      8.320 CV     1
 ASSI { 1945}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      6.000     5.000     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.252 ppm2      8.320 CV     1
 ASSI { 1946}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     5.000     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      8.066 CV     1
 ASSI { 1947}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD3 ))
      6.000     5.000     0.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.619 ppm2      3.590 CV     1
 ASSI { 1948}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     5.000     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.619 ppm2      3.695 CV     1
 ASSI { 1949}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     5.000     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.151 ppm2      1.811 CV     1
 ASSI { 1950}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     5.000     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.151 ppm2      1.872 CV     1
 ASSI { 1951}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     5.000     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.151 ppm2      1.918 CV     1
 ASSI { 1952}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     5.000     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      1.811 CV     1
 ASSI { 1953}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.698 ppm2      8.379 CV     1
 ASSI { 1954}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.572 ppm2      8.379 CV     1
 ASSI { 1955}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.812 ppm2      8.379 CV     1
 ASSI { 1956}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.379 ppm2      7.913 CV     1
 ASSI { 1957}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      7.916 CV     1
 ASSI { 1958}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.759 ppm2      7.916 CV     1
 ASSI { 1959}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      7.916 CV     1
 ASSI { 1960}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     5.000     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      1.514 CV     1
 ASSI { 1961}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      1.451 CV     1
 ASSI { 1962}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      6.000     5.000     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      1.443 CV     1
 ASSI { 1963}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      6.000     5.000     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      0.759 CV     1
 ASSI { 1964}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     5.000     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      0.696 CV     1
 ASSI { 1965}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.515 ppm2      1.450 CV     1
 ASSI { 1966}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      6.000     5.000     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.515 ppm2      0.760 CV     1
 ASSI { 1967}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     5.000     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      0.695 CV     1
 ASSI { 1968}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     5.000     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      0.694 CV     1
 ASSI { 1969}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      6.000     5.000     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      0.760 CV     1
 ASSI { 1970}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.154 ppm2      7.915 CV     1
 ASSI { 1971}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      8.152 CV     1
 ASSI { 1972}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      8.152 CV     1
 ASSI { 1973}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.694 ppm2      8.153 CV     1
 ASSI { 1974}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      8.153 CV     1
 ASSI { 1975}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      8.153 CV     1
 ASSI { 1976}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.152 ppm2      8.239 CV     1
 ASSI { 1977}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      8.238 CV     1
 OR { 1977}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1978}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     5.000     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.426 ppm2      0.768 CV     1
 OR { 1978}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI { 1979}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     5.000     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.500 ppm2      0.769 CV     1
 OR { 1979}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI { 1980}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HD21))
      6.000     5.000     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      7.521 CV     1
 ASSI { 1981}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HD21))
      6.000     5.000     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.672 ppm2      7.521 CV     1
 ASSI { 1983}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD21))
      6.000     5.000     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.480 ppm2      7.521 CV     1
 ASSI { 1984}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      6.816 CV     1
 ASSI { 1985}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.673 ppm2      6.816 CV     1
 ASSI { 1986}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.480 ppm2      6.816 CV     1
 ASSI { 1987}
   (( segid "    " and resid 33   and name HD21))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.520 ppm2      6.816 CV     1
 ASSI { 1988}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD21))
      6.000     5.000     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.243 ppm2      7.520 CV     1
 ASSI { 1989}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.238 ppm2      6.814 CV     1
 ASSI { 1990}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     5.000     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.509 ppm2      1.420 CV     1
 OR { 1990}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI { 1991}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     5.000     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.242 ppm2      8.050 CV     1
 ASSI { 1992}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     5.000     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      7.964 CV     1
 ASSI { 1993}
   (( segid "    " and resid 35   and name HG12))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      0.789 CV     1
 ASSI { 1994}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      0.697 CV     1
 ASSI { 1995}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HD2 ))
      6.000     5.000     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.299 ppm2      3.763 CV     1
 ASSI { 1996}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HD3 ))
      6.000     5.000     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.299 ppm2      3.521 CV     1
 ASSI { 1997}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     5.000     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.521 ppm2      1.744 CV     1
 ASSI { 1998}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     5.000     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.763 ppm2      1.744 CV     1
 ASSI { 1999}
   (( segid "    " and resid 36   and name HD3 ))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.524 ppm2      0.698 CV     1
 ASSI { 2000}
   (( segid "    " and resid 36   and name HD2 ))
   (  segid "    " and resid 35   and name HD1%)
      6.000     5.000     0.000 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.770 ppm2      0.698 CV     1
 ASSI { 2001}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.895 ppm2      8.146 CV     1
 OR { 2001}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 2002}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.760 ppm2      8.143 CV     1
 ASSI { 2003}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      8.143 CV     1
 ASSI { 2004}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     5.000     0.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.146 ppm2      1.796 CV     1
 ASSI { 2005}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG3 ))
      6.000     5.000     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.146 ppm2      1.899 CV     1
 ASSI { 2006}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.000     0.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.149 ppm2      8.363 CV     1
 ASSI { 2007}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     5.000     0.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.568 CV     1
 ASSI { 2008}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     5.000     0.000 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.166 ppm2      1.502 CV     1
 OR { 2008}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 2009}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.000     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.765 ppm2      8.305 CV     1
 OR { 2009}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2010}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
      6.000     5.000     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.501 ppm2      0.763 CV     1
 OR { 2010}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD1%)
 OR { 2010}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 2011}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      6.000     5.000     0.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.166 ppm2      0.762 CV     1
 OR { 2011}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 2012}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     5.000     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      3.759 CV     1
 OR { 2012}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2013}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     5.000     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.760 ppm2      7.974 CV     1
 OR { 2013}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2014}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.621 ppm2      8.728 CV     1
 ASSI { 2015}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.550 ppm2      8.728 CV     1
 OR { 2015}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2016}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.552 ppm2      8.730 CV     1
 ASSI { 2017}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.621 ppm2      8.730 CV     1
 ASSI { 2018}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2      8.731 CV     1
 ASSI { 2019}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      8.731 CV     1
 ASSI { 2020}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.630 ppm2      8.730 CV     1
 OR { 2020}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2022}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 43   and name HD2%)
      6.000     5.000     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      0.630 CV     1
 OR { 2022}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 2023}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
      6.000     5.000     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.627 ppm2      0.629 CV     1
 OR { 2023}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2024}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     5.000     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.627 ppm2      1.135 CV     1
 ASSI { 2025}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HG  ))
      6.000     5.000     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      1.387 CV     1
 ASSI { 2026}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     5.000     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      1.134 CV     1
 ASSI { 2027}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.600     2.100     2.100 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      4.552 ppm2      1.620 CV     1
 ASSI { 2028}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG  ))
      6.000     5.000     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.552 ppm2      1.387 CV     1
 ASSI { 2029}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     2.200     2.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.96714E-03 ppm1      4.552 ppm2      1.128 CV     1
 ASSI { 2030}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      6.000     5.000     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.551 ppm2      0.633 CV     1
 OR { 2030}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2031}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     5.000     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      8.087 CV     1
 ASSI { 2032}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      8.598 CV     1
 ASSI { 2033}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      8.598 CV     1
 ASSI { 2034}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.631 ppm2      8.598 CV     1
 OR { 2034}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2035}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      8.598 CV     1
 ASSI { 2036}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2      8.598 CV     1
 ASSI { 2037}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.000     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      8.918 CV     1
 ASSI { 2038}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     5.000     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.733 ppm2      2.508 CV     1
 ASSI { 2039}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.000     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.262 ppm2      8.917 CV     1
 ASSI { 2040}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.000     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      8.919 CV     1
 ASSI { 2041}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      8.598 CV     1
 ASSI { 2042}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.000     0.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.261 ppm2      8.692 CV     1
 ASSI { 2043}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 47   and name HG2%)
      6.000     5.000     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.843 ppm2      0.665 CV     1
 ASSI { 2044}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.000     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.031 ppm2      8.692 CV     1
 ASSI { 2048}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA2 ))
      6.000     5.000     0.000 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.282 ppm2      2.650 CV     1
 ASSI { 2049}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     5.000     0.000 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.036 ppm2      7.883 CV     1
 ASSI { 2050}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.677 ppm2      8.720 CV     1
 ASSI { 2051}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.258 ppm2      0.673 CV     1
 ASSI { 2052}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.009 ppm2      8.720 CV     1
 ASSI { 2053}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.678 ppm2      9.009 CV     1
 ASSI { 2054}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.016 ppm2      8.109 CV     1
 ASSI { 2055}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.726 ppm2      8.110 CV     1
 ASSI { 2056}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     5.000     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.725 CV     1
 ASSI { 2057}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     5.000     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.876 ppm2      3.725 CV     1
 ASSI { 2058}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.000     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.729 ppm2      8.511 CV     1
 ASSI { 2059}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.514 ppm2      8.109 CV     1
 ASSI { 2060}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     5.000     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      1.612 CV     1
 ASSI { 2061}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HE22))
      6.000     5.000     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.744 CV     1
 ASSI { 2062}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.000     0.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.832 ppm2      8.337 CV     1
 ASSI { 2063}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     5.000     0.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.018 ppm2      8.833 CV     1
 ASSI { 2064}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      9.016 CV     1
 ASSI { 2065}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.550 ppm2      9.016 CV     1
 ASSI { 2066}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.595 ppm2      9.017 CV     1
 OR { 2066}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2067}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      9.016 CV     1
 ASSI { 2068}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      9.016 CV     1
 ASSI { 2069}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.124 ppm2      9.016 CV     1
 OR { 2069}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2071}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.773 ppm2      1.596 CV     1
 OR { 2071}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI { 2072}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD3 ))
      6.000     5.000     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.772 ppm2      1.555 CV     1
 ASSI { 2073}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      3.700     2.200     2.200 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.96885E-03 ppm1      4.770 ppm2      1.445 CV     1
 ASSI { 2074}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      3.100     1.700     1.700 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.27456E-02 ppm1      4.772 ppm2      1.124 CV     1
 OR { 2074}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2075}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     5.000     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      1.124 CV     1
 OR { 2075}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2075}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2076}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     5.000     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      1.124 CV     1
 OR { 2076}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2077}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     5.000     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.124 CV     1
 OR { 2077}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2078}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HD2 ))
      6.000     5.000     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      1.447 CV     1
 OR { 2078}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2079}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.546 ppm2      1.595 CV     1
 OR { 2079}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI { 2080}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HD3 ))
      6.000     5.000     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.546 ppm2      1.555 CV     1
 ASSI { 2081}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HD2 ))
      6.000     5.000     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.546 ppm2      1.445 CV     1
 ASSI { 2082}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG2 ))
      3.300     1.900     1.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.17951E-02 ppm1      2.548 ppm2      1.124 CV     1
 OR { 2082}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2083}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.700     1.400     1.400 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.61424E-02 ppm1      2.770 ppm2      1.122 CV     1
 OR { 2083}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2084}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.300     1.900     1.900 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.17769E-02 ppm1      2.770 ppm2      1.445 CV     1
 ASSI { 2085}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HD3 ))
      6.000     5.000     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.772 ppm2      1.555 CV     1
 ASSI { 2086}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.900     1.500     1.500 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.43852E-02 ppm1      2.772 ppm2      1.596 CV     1
 OR { 2086}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2087}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HE2 ))
      6.000     5.000     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.772 ppm2      2.770 CV     1
 ASSI { 2088}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HE3 ))
      6.000     5.000     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.772 ppm2      2.546 CV     1
 ASSI { 2089}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2      9.055 CV     1
 ASSI { 2090}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.551 ppm2      9.055 CV     1
 ASSI { 2091}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.125 ppm2      9.053 CV     1
 OR { 2091}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2092}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      9.053 CV     1
 ASSI { 2093}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      9.053 CV     1
 ASSI { 2094}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.598 ppm2      9.053 CV     1
 OR { 2094}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2095}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.461 ppm2      9.056 CV     1
 ASSI { 2096}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
      6.000     5.000     0.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.902 ppm2      2.426 CV     1
 ASSI { 2097}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.457 ppm2      8.271 CV     1
 ASSI { 2098}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.718 ppm2      8.277 CV     1
 OR { 2098}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2099}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      8.274 CV     1
 ASSI { 2100}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.969 ppm2      0.832 CV     1
 ASSI { 2101}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG2 ))
      6.000     5.000     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.969 ppm2      0.903 CV     1
 OR { 2101}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 2102}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.969 ppm2      1.238 CV     1
 ASSI { 2103}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
      6.000     5.000     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.969 ppm2      1.322 CV     1
 OR { 2103}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
 ASSI { 2104}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HD2 ))
      2.600     1.300     1.300 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.87427E-02 ppm1      2.723 ppm2      1.322 CV     1
 OR { 2104}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR { 2104}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 2105}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.722 ppm2      1.242 CV     1
 OR { 2105}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 2106}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG2 ))
      2.800     1.500     1.500 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.50962E-02 ppm1      2.723 ppm2      0.904 CV     1
 OR { 2106}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 2106}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR { 2106}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 2107}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.723 ppm2      0.832 CV     1
 OR { 2107}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2108}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.321 ppm2      0.832 CV     1
 OR { 2108}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2109}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.242 ppm2      0.832 CV     1
 ASSI { 2110}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HG3 ))
      6.000     5.000     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.242 ppm2      0.904 CV     1
 OR { 2110}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI { 2111}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HG3 ))
      6.000     5.000     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.324 ppm2      0.903 CV     1
 OR { 2111}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 2111}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI { 2112}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HE2 ))
      6.000     5.000     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.971 ppm2      2.721 CV     1
 OR { 2112}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HE3 ))
 ASSI { 2113}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      8.399 CV     1
 ASSI { 2114}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      8.399 CV     1
 OR { 2114}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2115}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.244 ppm2      8.401 CV     1
 ASSI { 2116}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.319 ppm2      8.398 CV     1
 OR { 2116}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2117}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.721 ppm2      8.399 CV     1
 OR { 2117}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2118}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB3 ))
      6.000     5.000     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.637 ppm2      2.503 CV     1
 ASSI { 2119}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     5.000     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.355 ppm2      7.892 CV     1
 ASSI { 2120}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     5.000     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.247 ppm2      7.891 CV     1
 ASSI { 2121}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     5.000     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.386 ppm2      8.249 CV     1
 ASSI { 2122}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      6.000     5.000     0.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.750 ppm2      2.630 CV     1
 ASSI { 2123}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HD21))
      6.000     5.000     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.634 ppm2      7.597 CV     1
 ASSI { 2124}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HD22))
      6.000     5.000     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.634 ppm2      6.861 CV     1
 ASSI { 2125}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD21))
      6.000     5.000     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.749 ppm2      7.597 CV     1
 ASSI { 2126}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD22))
      6.000     5.000     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.749 ppm2      6.861 CV     1
 ASSI { 2127}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD21))
      6.000     5.000     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      7.597 CV     1
 ASSI { 2128}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD22))
      6.000     5.000     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      6.861 CV     1
 ASSI { 2129}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      8.174 CV     1
 ASSI { 2130}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      8.173 CV     1
 ASSI { 2132}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      6.000     5.000     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      1.059 CV     1
 OR { 2132}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2133}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.444 ppm2      8.174 CV     1
 ASSI { 2134}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     5.000     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.446 ppm2      8.138 CV     1
 ASSI { 2135}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     5.000     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.292 ppm2      8.138 CV     1
 ASSI { 2136}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
      6.000     5.000     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.739 ppm2      2.631 CV     1
 ASSI { 2137}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HD21))
      6.000     5.000     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.677 ppm2      7.520 CV     1
 ASSI { 2138}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HD22))
      6.000     5.000     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.677 ppm2      6.862 CV     1
 ASSI { 2139}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HD21))
      6.000     5.000     0.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.632 ppm2      7.521 CV     1
 ASSI { 2140}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD21))
      6.000     5.000     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.742 ppm2      7.520 CV     1
 ASSI { 2141}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HD22))
      6.000     5.000     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.632 ppm2      6.862 CV     1
 ASSI { 2142}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD22))
      6.000     5.000     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.743 ppm2      6.863 CV     1
 ASSI { 2143}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 70   and name HD22))
      6.000     5.000     0.000 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.521 ppm2      6.862 CV     1
 ASSI { 2144}
   (( segid "    " and resid 67   and name HD21))
   (( segid "    " and resid 67   and name HD22))
      6.000     5.000     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.599 ppm2      6.861 CV     1
 ASSI { 2146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     5.000     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.292 ppm2      7.939 CV     1
 ASSI { 2147}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     5.000     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.750 ppm2      7.937 CV     1
 ASSI { 2148}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.000     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.174 ppm2      8.745 CV     1
 ASSI { 2149}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.000     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.243 ppm2      8.745 CV     1
 ASSI { 2150}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.000     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      8.748 CV     1
 ASSI { 2151}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.000     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.692 ppm2      8.745 CV     1
 ASSI { 2152}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.000     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      8.746 CV     1
 ASSI { 2153}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.388 ppm2      0.639 CV     1
 ASSI { 2154}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.388 ppm2      0.696 CV     1
 ASSI { 2155}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      0.694 CV     1
 ASSI { 2156}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      0.639 CV     1
 ASSI { 2157}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.175 ppm2      0.639 CV     1
 ASSI { 2158}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.173 ppm2      0.696 CV     1
 ASSI { 2159}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HB2 ))
      6.000     5.000     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      1.172 CV     1
 ASSI { 2160}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      0.639 CV     1
 ASSI { 2161}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      0.697 CV     1
 ASSI { 2162}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      6.000     5.000     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      1.173 CV     1
 ASSI { 2163}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      6.000     5.000     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      1.248 CV     1
 ASSI { 2164}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG  ))
      6.000     5.000     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      1.388 CV     1
 ASSI { 2165}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      8.103 CV     1
 ASSI { 2166}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.246 ppm2      8.102 CV     1
 ASSI { 2167}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.173 ppm2      8.102 CV     1
 ASSI { 2168}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      8.103 CV     1
 ASSI { 2169}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      8.103 CV     1
 ASSI { 2170}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.751 ppm2      8.106 CV     1
 ASSI { 2171}
   (( segid "    " and resid 74   and name HG13))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.375 ppm2      8.104 CV     1
 ASSI { 2172}
   (( segid "    " and resid 74   and name HG12))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.041 ppm2      8.104 CV     1
 ASSI { 2173}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.697 ppm2      8.104 CV     1
 ASSI { 2174}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.629 ppm2      8.103 CV     1
 ASSI { 2175}
   (( segid "    " and resid 74   and name HG12))
   (  segid "    " and resid 74   and name HG2%)
      6.000     5.000     0.000 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.042 ppm2      0.629 CV     1
 ASSI { 2176}
   (( segid "    " and resid 74   and name HG12))
   (  segid "    " and resid 74   and name HD1%)
      6.000     5.000     0.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.042 ppm2      0.696 CV     1
 ASSI { 2177}
   (( segid "    " and resid 74   and name HG13))
   (  segid "    " and resid 74   and name HD1%)
      6.000     5.000     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.375 ppm2      0.698 CV     1
 ASSI { 2178}
   (( segid "    " and resid 74   and name HG13))
   (  segid "    " and resid 74   and name HG2%)
      6.000     5.000     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.373 ppm2      0.629 CV     1
 ASSI { 2179}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 74   and name HG2%)
      6.000     5.000     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      0.629 CV     1
 ASSI { 2180}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 74   and name HD1%)
      6.000     5.000     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.623 ppm2      0.698 CV     1
 ASSI { 2181}
   (( segid "    " and resid 74   and name HG13))
   (( segid "    " and resid 74   and name HG12))
      6.000     5.000     0.000 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.375 ppm2      1.040 CV     1
 ASSI { 2182}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HG12))
      6.000     5.000     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.621 ppm2      1.042 CV     1
 ASSI { 2183}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HG13))
      6.000     5.000     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      1.376 CV     1
 ASSI { 2184}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HG2%)
      6.000     5.000     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.611 ppm2      0.629 CV     1
 ASSI { 2185}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      6.000     5.000     0.000 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.611 ppm2      0.698 CV     1
 ASSI { 2186}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG12))
      6.000     5.000     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.611 ppm2      1.043 CV     1
 ASSI { 2187}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG13))
      3.100     1.700     1.700 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.25662E-02 ppm1      4.613 ppm2      1.376 CV     1
 ASSI { 2188}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.720 ppm2      8.106 CV     1
 ASSI { 2189}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.612 ppm2      8.719 CV     1
 ASSI { 2190}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.621 ppm2      8.719 CV     1
 ASSI { 2191}
   (( segid "    " and resid 74   and name HG13))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.375 ppm2      8.720 CV     1
 ASSI { 2192}
   (( segid "    " and resid 74   and name HG12))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.039 ppm2      8.719 CV     1
 ASSI { 2193}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      8.720 CV     1
 ASSI { 2194}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.628 ppm2      8.719 CV     1
 ASSI { 2195}
   (( segid "    " and resid 75   and name HG13))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.851 ppm2      8.720 CV     1
 ASSI { 2196}
   (( segid "    " and resid 75   and name HG12))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.469 ppm2      8.719 CV     1
 ASSI { 2197}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      8.719 CV     1
 ASSI { 2198}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.147 ppm2      8.719 CV     1
 ASSI { 2199}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.295 ppm2     -0.150 CV     1
 ASSI { 2200}
   (( segid "    " and resid 75   and name HG13))
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2     -0.148 CV     1
 ASSI { 2201}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.530 ppm2     -0.150 CV     1
 ASSI { 2202}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.465 ppm2     -0.150 CV     1
 ASSI { 2203}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      0.526 CV     1
 ASSI { 2204}
   (( segid "    " and resid 75   and name HG13))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      0.524 CV     1
 ASSI { 2205}
   (( segid "    " and resid 75   and name HG13))
   (( segid "    " and resid 75   and name HG12))
      6.000     5.000     0.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.851 ppm2      0.471 CV     1
 ASSI { 2206}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HG13))
      6.000     5.000     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      0.852 CV     1
 ASSI { 2207}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.600     1.600 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.40885E-02 ppm1      4.013 ppm2     -0.151 CV     1
 ASSI { 2208}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG12))
      6.000     5.000     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      0.471 CV     1
 ASSI { 2209}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.013 ppm2      0.529 CV     1
 ASSI { 2210}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      6.000     5.000     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.015 ppm2      1.302 CV     1
 ASSI { 2211}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      8.617 CV     1
 ASSI { 2212}
   (( segid "    " and resid 75   and name HG13))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      8.617 CV     1
 ASSI { 2213}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      8.617 CV     1
 ASSI { 2214}
   (( segid "    " and resid 75   and name HG12))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.468 ppm2      8.617 CV     1
 ASSI { 2215}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.146 ppm2      8.617 CV     1
 ASSI { 2216}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.721 ppm2      8.616 CV     1
 ASSI { 2217}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.525 ppm2      8.617 CV     1
 ASSI { 2218}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.657 ppm2      8.616 CV     1
 ASSI { 2219}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.575 ppm2      8.617 CV     1
 ASSI { 2220}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.526 ppm2      2.574 CV     1
 ASSI { 2221}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      6.000     5.000     0.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.526 ppm2      2.657 CV     1
 ASSI { 2222}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.657 ppm2      2.574 CV     1
 ASSI { 2223}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.527 ppm2      7.541 CV     1
 ASSI { 2224}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.000     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.527 ppm2      6.814 CV     1
 ASSI { 2225}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      7.541 CV     1
 ASSI { 2226}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.574 ppm2      7.539 CV     1
 ASSI { 2227}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.000     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.575 ppm2      6.815 CV     1
 ASSI { 2228}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.000     0.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      6.815 CV     1
 ASSI { 2229}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.000     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.541 ppm2      6.816 CV     1
 ASSI { 2230}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD22))
      6.000     5.000     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.616 ppm2      6.816 CV     1
 ASSI { 2231}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.616 ppm2      7.540 CV     1
 ASSI { 2232}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     5.000     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.525 ppm2      8.738 CV     1
 ASSI { 2233}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     5.000     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      8.734 CV     1
 ASSI { 2234}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 77   and name HN  ))
      6.000     5.000     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.223 ppm2      8.734 CV     1
 ASSI { 2235}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
      6.000     5.000     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.661 ppm2      1.219 CV     1
 ASSI { 2236}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.736 ppm2      8.617 CV     1
 ASSI { 2237}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.734 ppm2      8.335 CV     1
 ASSI { 2238}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      8.335 CV     1
 ASSI { 2239}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.223 ppm2      8.334 CV     1
 ASSI { 2240}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     5.000     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.337 ppm2      8.136 CV     1
 ASSI { 2241}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
      6.000     5.000     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.108 ppm2      2.724 CV     1
 ASSI { 2242}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HD21))
      6.000     5.000     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.783 ppm2      7.442 CV     1
 ASSI { 2243}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      6.000     5.000     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.781 ppm2      7.017 CV     1
 ASSI { 2244}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      6.000     5.000     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.138 ppm2      7.016 CV     1
 ASSI { 2245}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      6.000     5.000     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.134 ppm2      7.441 CV     1
 ASSI { 2246}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     5.000     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.725 ppm2      7.620 CV     1
 ASSI { 2247}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     5.000     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.135 ppm2      7.620 CV     1
 ASSI { 2248}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
      6.000     5.000     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.871 ppm2      2.767 CV     1
 ASSI { 2249}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     5.000     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      7.622 CV     1
 ASSI { 2250}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     5.000     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      8.289 CV     1
 ASSI { 2252}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.800     1.800 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.24659E-02 ppm1      0.542 ppm2      9.456 CV     1
 OR { 2252}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2255}
   (  segid "    " and resid 22   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      6.000     5.000     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.505 ppm2      2.174 CV     1
 ASSI { 2256}
   (  segid "    " and resid 22   and name HE% )
   (( segid "    " and resid 22   and name HB3 ))
      6.000     5.000     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.505 ppm2      2.011 CV     1
 ASSI { 2257}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.000     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.606 ppm2      9.546 CV     1
 ASSI { 2259}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      3.900     2.400     2.100 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.73486E-03 ppm1      1.054 ppm2      8.981 CV     1
 ASSI { 2260}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 17   and name HD% )
      2.700     1.400     1.400 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.61978E-02 ppm1     -0.151 ppm2      6.654 CV     1
 ASSI { 2262}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 17   and name HE% )
      3.400     1.900     1.900 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.16674E-02 ppm1      0.529 ppm2      6.455 CV     1
 ASSI { 2263}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 17   and name HE% )
      2.800     1.500     1.500 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.48058E-02 ppm1     -0.151 ppm2      6.454 CV     1
 ASSI { 2264}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.800     1.800 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.20564E-02 ppm1      0.524 ppm2      7.882 CV     1
 ASSI { 2266}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.800     2.300     2.200 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.85484E-03 ppm1      0.527 ppm2      8.029 CV     1
 ASSI { 2267}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 72   and name HE% )
      2.700     1.400     1.400 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.62000E-02 ppm1      3.422 ppm2      7.075 CV     1
 OR { 2267}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2271}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
      3.800     2.300     2.200 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.84822E-03 ppm1      0.770 ppm2     -0.150 CV     1
 OR { 2271}
   (  segid "    " and resid 65   and name HG1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2272}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     2.000     2.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      2.409 ppm2     -0.150 CV     1
 ASSI { 2275}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.800     1.800 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.20474E-02 ppm1      2.606 ppm2     -0.150 CV     1
 ASSI { 2276}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      3.200     1.800     1.800 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.21627E-02 ppm1      2.724 ppm2     -0.150 CV     1
 ASSI { 2277}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.900     1.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      2.899 ppm2     -0.150 CV     1
 ASSI { 2278}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.800     1.500     1.500 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.48955E-02 ppm1      3.253 ppm2      0.555 CV     1
 ASSI { 2279}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 4    and name HG2%)
      2.900     1.600     1.600 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.40842E-02 ppm1      2.093 ppm2      0.556 CV     1
 ASSI { 2280}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.500     2.100     2.100 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.12947E-02 ppm1      2.096 ppm2      0.529 CV     1
 ASSI { 2281}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.900     1.900 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.18299E-02 ppm1      3.253 ppm2      0.527 CV     1
 ASSI { 2283}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     1.400     1.400 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.69109E-02 ppm1      3.452 ppm2      0.868 CV     1
 ASSI { 2284}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
      6.000     5.000     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.947 ppm2      0.846 CV     1
 ASSI { 2285}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.900     1.900 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.19362E-02 ppm1      2.085 ppm2      1.125 CV     1
 ASSI { 2287}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 66   and name HG2%)
      3.500     2.100     2.100 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      2.009 ppm2      1.056 CV     1
 ASSI { 2288}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      2.600     1.400     1.400 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.71992E-02 ppm1      2.457 ppm2      0.524 CV     1
 ASSI { 2290}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 56   and name HB% )
      2.600     1.400     1.400 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.74788E-02 ppm1      2.326 ppm2      1.277 CV     1
 OR { 2290}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 56   and name HB% )
 ASSI { 2291}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 59   and name HZ% )
      3.300     1.800     1.800 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.20754E-02 ppm1      0.629 ppm2      7.595 CV     1
 OR { 2291}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 59   and name HZ% )
 ASSI { 2292}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 53   and name HE21))
      3.600     2.100     2.100 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.12086E-02 ppm1      0.873 ppm2      7.382 CV     1
 ASSI { 2293}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 53   and name HE21))
      3.700     2.200     2.200 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.97248E-03 ppm1      1.264 ppm2      7.383 CV     1
 ASSI { 2294}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     2.000     2.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      1.143 ppm2      7.912 CV     1
 OR { 2294}
   (( segid "    " and resid 11   and name HG13))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2296}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.600     1.600 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.36700E-02 ppm1      3.767 ppm2      8.977 CV     1
 ASSI { 2297}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.600     1.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.35333E-02 ppm1      3.461 ppm2      8.257 CV     1
 OR { 2297}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2298}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.600     1.600 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.40885E-02 ppm1      3.250 ppm2      8.107 CV     1
 ASSI { 2299}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.600     1.600 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.40308E-02 ppm1      1.265 ppm2      8.978 CV     1
 ASSI { 2301}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.400     2.000     2.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.14838E-02 ppm1      4.129 ppm2      7.618 CV     1
 ASSI { 2303}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 72   and name HD% )
      3.700     2.300     2.300 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.89541E-03 ppm1      3.768 ppm2      6.980 CV     1
 OR { 2303}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2304}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     2.100     2.100 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      1.746 ppm2      8.145 CV     1
 ASSI { 2305}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      3.700     2.200     2.200 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.91676E-03 ppm1      1.621 ppm2      8.173 CV     1
 ASSI { 2309}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 72   and name HE% )
      2.600     1.300     1.300 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.81662E-02 ppm1      0.697 ppm2      7.075 CV     1
 OR { 2309}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2311}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HD22))
      4.000     2.500     2.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.64689E-03 ppm1      0.529 ppm2      7.017 CV     1
 ASSI { 2312}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 53   and name HE22))
      3.600     2.100     2.100 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      0.873 ppm2      6.743 CV     1
 ASSI { 2313}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 53   and name HE22))
      3.600     2.200     2.200 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10707E-02 ppm1      1.271 ppm2      6.746 CV     1
 ASSI { 2314}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
      3.400     2.000     2.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.15594E-02 ppm1      1.131 ppm2      6.656 CV     1
 OR { 2314}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2315}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 14   and name HD% )
      2.800     1.500     1.500 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.47396E-02 ppm1      1.142 ppm2      6.816 CV     1
 ASSI { 2316}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 14   and name HD% )
      3.400     1.900     1.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.16559E-02 ppm1      0.911 ppm2      6.816 CV     1
 OR { 2316}
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 14   and name HD% )
 ASSI { 2317}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 14   and name HE% )
      3.500     2.000     2.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.13726E-02 ppm1      0.911 ppm2      6.599 CV     1
 OR { 2317}
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2318}
   (( segid "    " and resid 74   and name HG12))
   (  segid "    " and resid 72   and name HE% )
      3.200     1.800     1.800 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.23442E-02 ppm1      1.040 ppm2      7.074 CV     1
 OR { 2318}
   (( segid "    " and resid 74   and name HG12))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2320}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      3.200     1.800     1.800 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      5.517 ppm2      6.656 CV     1
 ASSI { 2324}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      4.400     2.900     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.34864E-03 ppm1      7.622 ppm2      6.599 CV     1
 ASSI { 2327}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.900     2.400     2.100 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.68148E-03 ppm1      8.391 ppm2      6.455 CV     1
 ASSI { 2330}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      3.500     2.000     2.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.13860E-02 ppm1      9.065 ppm2      6.813 CV     1
 ASSI { 2331}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.300     1.900     1.900 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.18173E-02 ppm1      8.266 ppm2      6.654 CV     1
 ASSI { 2332}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      3.200     1.800     1.800 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.24018E-02 ppm1      8.282 ppm2      6.598 CV     1
 ASSI { 2334}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
      3.100     1.700     1.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.27498E-02 ppm1      8.743 ppm2      6.985 CV     1
 ASSI { 2335}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      3.600     2.100     2.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1      8.743 ppm2      7.074 CV     1
 OR { 2335}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2336}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.400     1.900     1.900 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      8.700 ppm2      6.654 CV     1
 ASSI { 2337}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      4.000     2.500     2.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.63515E-03 ppm1      8.591 ppm2      6.652 CV     1
 ASSI { 2338}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      3.100     1.700     1.700 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.30231E-02 ppm1      8.545 ppm2      6.596 CV     1
 ASSI { 2339}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      6.596 CV     1
 ASSI { 2340}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      4.000     2.500     2.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.61936E-03 ppm1      8.394 ppm2      6.814 CV     1
 ASSI { 2341}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.000     2.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1      8.690 ppm2      6.452 CV     1
 ASSI { 2342}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.000     2.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.14434E-02 ppm1      8.591 ppm2      6.454 CV     1
 ASSI { 2343}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HD21))
      3.200     1.800     1.800 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.21253E-02 ppm1      8.139 ppm2      7.521 CV     1
 ASSI { 2344}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     2.200     2.200 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.10483E-02 ppm1      8.646 ppm2      8.108 CV     1
 ASSI { 2346}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.000     1.600     1.600 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.35120E-02 ppm1      8.978 ppm2      8.181 CV     1
 ASSI { 2347}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.700     1.700 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.26046E-02 ppm1      9.057 ppm2      8.256 CV     1
 ASSI { 2348}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.800     1.800 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.22438E-02 ppm1      8.725 ppm2      7.885 CV     1
 ASSI { 2349}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.630 ppm2      7.912 CV     1
 ASSI { 2351}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 4    and name HG2%)
      2.900     1.600     1.600 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.37896E-02 ppm1      1.520 ppm2      0.555 CV     1
 ASSI { 2352}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     1.500     1.500 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.55957E-02 ppm1      1.520 ppm2      0.528 CV     1
 ASSI { 2355}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.128 ppm2      0.553 CV     1
 ASSI { 2363}
   (( segid "    " and resid 51   and name HA1 ))
   (  segid "    " and resid 3    and name HG2%)
      3.100     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.28374E-02 ppm1      4.259 ppm2      0.865 CV     1
 ASSI { 2364}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      3.000     1.600     1.600 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.33369E-02 ppm1      4.733 ppm2      0.867 CV     1
 ASSI { 2365}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.400     2.000     2.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      4.946 ppm2      0.522 CV     1
 ASSI { 2366}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.900     2.400     2.100 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.74340E-03 ppm1      4.946 ppm2      0.737 CV     1
 ASSI { 2370}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.500     2.100     2.100 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      5.515 ppm2      0.948 CV     1
 ASSI { 2373}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      4.100     2.600     1.900 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.56235E-03 ppm1      5.110 ppm2      0.555 CV     1
 ASSI { 2374}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      4.400     2.900     1.600 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.33241E-03 ppm1      5.110 ppm2      0.522 CV     1
 ASSI { 2375}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.800     2.300     2.200 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.80147E-03 ppm1      5.284 ppm2      0.524 CV     1
 ASSI { 2376}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      4.000     2.500     2.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.63729E-03 ppm1      5.284 ppm2      0.736 CV     1
 ASSI { 2379}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      3.600     2.200     2.200 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      5.551 ppm2      0.592 CV     1
 ASSI { 2384}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      6.000     5.000     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.663 ppm2      0.635 CV     1
 OR { 2384}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2385}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.847 ppm2      0.556 CV     1
 ASSI { 2386}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.555 CV     1
 ASSI { 2387}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.530 CV     1
 ASSI { 2389}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      2.900     1.600     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.38088E-02 ppm1      4.405 ppm2      0.790 CV     1
 OR { 2389}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI { 2394}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HG3 ))
      6.000     5.000     0.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      2.086 CV     1
 ASSI { 2396}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB  ))
      3.800     2.300     2.200 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.84716E-03 ppm1      4.298 ppm2      1.629 CV     1
 ASSI { 2397}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     5.000     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.046 ppm2      1.863 CV     1
 OR { 2397}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 2398}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     5.000     0.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.574 CV     1
 OR { 2398}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 2399}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.800     1.800 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.20086E-02 ppm1      4.270 ppm2      3.252 CV     1
 ASSI { 2400}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     5.000     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      3.250 CV     1
 ASSI { 2401}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      3.000     1.600     1.600 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.34565E-02 ppm1      1.858 ppm2      1.514 CV     1
 ASSI { 2402}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     5.000     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.096 ppm2      1.514 CV     1
 ASSI { 2406}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.610 ppm2     -0.150 CV     1
 ASSI { 2408}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     2.000     2.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.14106E-02 ppm1      4.676 ppm2      7.937 CV     1
 ASSI { 2409}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      6.455 CV     1
 ASSI { 2410}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.316 ppm2      6.597 CV     1
 OR { 2410}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2411}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.250 ppm2      6.598 CV     1
 ASSI { 2412}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      6.656 CV     1
 OR { 2412}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2415}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2      8.109 CV     1
 ASSI { 2416}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.536 ppm2      8.109 CV     1
 OR { 2416}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2417}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      6.456 CV     1
 ASSI { 2418}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.527 ppm2      6.456 CV     1
 ASSI { 2419}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 17   and name HE% )
      3.000     1.600     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.34139E-02 ppm1      0.758 ppm2      6.456 CV     1
 OR { 2419}
   (  segid "    " and resid 65   and name HG1%)
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2420}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HE22))
      6.000     5.000     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      6.743 CV     1
 ASSI { 2421}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.696 ppm2      6.455 CV     1
 ASSI { 2424}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.567 ppm2      6.596 CV     1
 OR { 2424}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2425}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.421 ppm2      6.596 CV     1
 ASSI { 2426}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.781 ppm2      6.654 CV     1
 ASSI { 2427}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.781 ppm2      6.596 CV     1
 ASSI { 2428}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     5.000     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.852 ppm2      8.290 CV     1
 OR { 2428}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 2429}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.900     1.900 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.18764E-02 ppm1      3.528 ppm2      7.971 CV     1
 ASSI { 2433}
   (( segid "    " and resid 72   and name HZ  ))
   (  segid "    " and resid 72   and name HD% )
      6.000     5.000     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.076 ppm2      6.986 CV     1
 ASSI { 2435}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.817 ppm2      6.454 CV     1
 ASSI { 2437}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      8.142 CV     1
 ASSI { 2438}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      4.600     3.200     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.25705E-03 ppm1      1.595 ppm2      9.839 CV     1
 OR { 2438}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2439}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.900     1.600     1.600 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.38921E-02 ppm1      2.725 ppm2      6.655 CV     1
 ASSI { 2441}
   (( segid "    " and resid 15   and name HE2 ))
   (  segid "    " and resid 17   and name HE% )
      3.300     1.800     1.800 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.20037E-02 ppm1      2.825 ppm2      6.454 CV     1
 OR { 2441}
   (( segid "    " and resid 15   and name HE3 ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2444}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 72   and name HE% )
      3.400     1.900     1.900 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.16995E-02 ppm1      0.765 ppm2      7.075 CV     1
 OR { 2444}
   (  segid "    " and resid 65   and name HG1%)
   (  segid "    " and resid 72   and name HE% )
 OR { 2444}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 72   and name HZ  ))
 OR { 2444}
   (  segid "    " and resid 65   and name HG1%)
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2445}
   (  segid "    " and resid 65   and name HG1%)
   (  segid "    " and resid 72   and name HD% )
      4.300     2.800     1.700 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.40842E-03 ppm1      0.765 ppm2      6.985 CV     1
 OR { 2445}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2446}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
      2.900     1.600     1.600 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.40586E-02 ppm1      1.248 ppm2      6.818 CV     1
 ASSI { 2447}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 72   and name HD% )
      6.000     5.000     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      6.983 CV     1
 ASSI { 2449}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.270 ppm2      6.457 CV     1
 OR { 2449}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2450}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      8.104 CV     1
 ASSI { 2451}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HD22))
      6.000     5.000     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.141 ppm2      6.869 CV     1
 ASSI { 2454}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.470 ppm2      6.656 CV     1
 ASSI { 2455}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.468 ppm2      6.454 CV     1
 ASSI { 2459}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.000     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      0.676 CV     1
 OR { 2459}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2460}
   (( segid "    " and resid 6    and name HD3 ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.403 ppm2      0.676 CV     1
 ASSI { 2462}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      7.557 CV     1
 ASSI { 2463}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      7.559 CV     1
 ASSI { 2464}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 7    and name HD21))
      6.000     5.000     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.821 ppm2      7.559 CV     1
 ASSI { 2465}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      6.869 CV     1
 ASSI { 2466}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.867 ppm2      6.871 CV     1
 ASSI { 2467}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.819 ppm2      6.869 CV     1
 ASSI { 2470}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.738 ppm2      0.532 CV     1
 ASSI { 2471}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.683 ppm2      0.532 CV     1
 ASSI { 2473}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      4.400     2.900     1.600 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.33775E-03 ppm1      0.548 ppm2      8.029 CV     1
 OR { 2473}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2474}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     5.000     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.893 ppm2      7.883 CV     1
 ASSI { 2476}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 1    and name HB% )
      3.900     2.400     2.100 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.69323E-03 ppm1      2.159 ppm2      1.264 CV     1
 ASSI { 2477}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 2    and name HG2%)
      3.600     2.100     2.100 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.11010E-02 ppm1      2.881 ppm2      1.054 CV     1
 ASSI { 2478}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     5.000     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.463 ppm2      1.055 CV     1
 ASSI { 2479}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     5.000     0.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.556 ppm2      8.977 CV     1
 ASSI { 2480}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      3.500     2.000     2.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.14703E-02 ppm1      0.871 ppm2      8.511 CV     1
 ASSI { 2481}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2      9.012 CV     1
 ASSI { 2484}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 3    and name HG2%)
      3.100     1.700     1.700 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.28288E-02 ppm1      2.165 ppm2      0.868 CV     1
 ASSI { 2485}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     5.000     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.792 ppm2      0.868 CV     1
 ASSI { 2486}
   (( segid "    " and resid 5    and name HA2 ))
   (  segid "    " and resid 50   and name HG2%)
      6.000     5.000     0.000 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.878 ppm2      0.721 CV     1
 ASSI { 2490}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      6.865 CV     1
 ASSI { 2492}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     5.000     0.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.124 ppm2      8.832 CV     1
 OR { 2492}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2495}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 11   and name HD1%)
      3.900     2.400     2.100 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.69408E-03 ppm1      2.282 ppm2      0.350 CV     1
 ASSI { 2496}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     5.000     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.095 ppm2      0.350 CV     1
 ASSI { 2498}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.277 ppm2      6.815 CV     1
 ASSI { 2499}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.554 ppm2      6.815 CV     1
 ASSI { 2500}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      6.815 CV     1
 ASSI { 2502}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.658 ppm2      6.599 CV     1
 ASSI { 2508}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      7.914 CV     1
 OR { 2508}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2509}
   (( segid "    " and resid 15   and name HE2 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.827 ppm2      6.656 CV     1
 OR { 2509}
   (( segid "    " and resid 15   and name HE3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2510}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.683 ppm2      6.656 CV     1
 ASSI { 2511}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      6.656 CV     1
 ASSI { 2513}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      6.654 CV     1
 OR { 2513}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2517}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.000     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      1.124 CV     1
 ASSI { 2518}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG12))
      6.000     5.000     0.000 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.123 ppm2      0.961 CV     1
 ASSI { 2520}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      0.556 CV     1
 OR { 2520}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 2521}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      0.532 CV     1
 OR { 2521}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2524}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     5.000     0.000 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.615 ppm2      1.125 CV     1
 OR { 2524}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2526}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 46   and name HG1%)
      2.800     1.500     1.500 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.47824E-02 ppm1      2.856 ppm2      0.950 CV     1
 OR { 2526}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 2527}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      2.900     1.500     1.500 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.44685E-02 ppm1      3.253 ppm2      1.893 CV     1
 ASSI { 2528}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.786 ppm2      6.453 CV     1
 ASSI { 2529}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      6.453 CV     1
 ASSI { 2533}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HD% )
      6.000     5.000     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      6.984 CV     1
 ASSI { 2534}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HE% )
      6.000     5.000     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      7.079 CV     1
 ASSI { 2537}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.000     0.000 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.146 ppm2      8.254 CV     1
 ASSI { 2543}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.500     2.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.60120E-03 ppm1      2.658 ppm2      8.728 CV     1
 ASSI { 2544}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.800     1.800 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.24103E-02 ppm1      2.577 ppm2      8.728 CV     1
 ASSI { 2545}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      3.200     1.800     1.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.22929E-02 ppm1      4.524 ppm2      1.270 CV     1
 ASSI { 2546}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 41   and name HB% )
      6.000     5.000     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.577 ppm2      1.271 CV     1
 ASSI { 2551}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 79   and name HD22))
      6.000     5.000     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.659 ppm2      7.016 CV     1
 ASSI { 2552}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
      3.200     1.800     1.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.22375E-02 ppm1      4.531 ppm2      1.224 CV     1
 ASSI { 2553}
   (( segid "    " and resid 36   and name HD3 ))
   (  segid "    " and resid 35   and name HG2%)
      2.500     1.300     1.300 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.10737E-01 ppm1      3.521 ppm2      0.782 CV     1
 ASSI { 2554}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      2.500     1.300     1.300 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.99149E-02 ppm1      3.537 ppm2      0.626 CV     1
 OR { 2554}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2554}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2555}
   (( segid "    " and resid 48   and name HA1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.400     1.900     1.900 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.16780E-02 ppm1      3.934 ppm2      0.522 CV     1
 ASSI { 2556}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 59   and name HZ% )
      3.500     2.000     2.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      1.450 ppm2      7.584 CV     1
 ASSI { 2558}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 81   and name HG2%)
      3.700     2.200     2.200 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.97376E-03 ppm1      2.287 ppm2      0.590 CV     1
 ASSI { 2559}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 82   and name HB% )
      6.000     5.000     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.948 ppm2      1.219 CV     1
 ASSI { 2560}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 56   and name HB% )
      6.000     5.000     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.948 ppm2      1.277 CV     1
 ASSI { 2563}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.000     0.000 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.979 ppm2      1.123 CV     1
 ASSI { 2571}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HA2 ))
      3.500     2.100     2.100 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.12949E-02 ppm1      4.156 ppm2      3.802 CV     1
 OR { 2571}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HA1 ))
 ASSI { 2575}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     2.400     2.100 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.65757E-03 ppm1      3.924 ppm2      3.280 CV     1
 ASSI { 2577}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HA2 ))
      6.000     5.000     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.951 ppm2      3.645 CV     1
 ASSI { 2578}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.772 ppm2      2.863 CV     1
 OR { 2578}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 2578}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 2581}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      6.000     5.000     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.614 ppm2      2.611 CV     1
 OR { 2581}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI { 2585}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     5.000     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.287 ppm2      2.759 CV     1
 ASSI { 2586}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.700     2.200     2.200 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.10444E-02 ppm1      5.289 ppm2      2.458 CV     1
 ASSI { 2588}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     2.100     2.100 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      4.403 ppm2      1.784 CV     1
 ASSI { 2589}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
      4.000     2.500     2.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.63024E-03 ppm1      5.518 ppm2      2.318 CV     1
 OR { 2589}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 2591}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 43   and name HG  ))
      6.000     5.000     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.653 ppm2      1.383 CV     1
 ASSI { 2593}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 35   and name HG12))
      6.000     5.000     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.530 ppm2      1.370 CV     1
 ASSI { 2597}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.000     0.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      8.361 CV     1
 OR { 2597}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2600}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.600     2.100     2.100 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.11723E-02 ppm1      4.505 ppm2      1.497 CV     1
 OR { 2600}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI { 2602}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.468 ppm2      1.546 CV     1
 ASSI { 2603}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.583 ppm2      1.546 CV     1
 ASSI { 2604}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.000     0.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.124 CV     1
 ASSI { 2608}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.004 ppm2      8.638 CV     1
 ASSI { 2609}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.980 ppm2      8.643 CV     1
 ASSI { 2610}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      8.274 CV     1
 ASSI { 2611}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      8.337 CV     1
 ASSI { 2613}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.107 ppm2      8.274 CV     1
 ASSI { 2614}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.500     1.500 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.42999E-02 ppm1      5.593 ppm2      8.548 CV     1
 ASSI { 2615}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     5.000     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      7.619 CV     1
 ASSI { 2616}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      9.051 CV     1
 ASSI { 2617}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.000     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.423 ppm2      8.586 CV     1
 ASSI { 2620}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     5.000     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.550 ppm2      2.906 CV     1
 ASSI { 2621}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     5.000     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      2.870 CV     1
 ASSI { 2622}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      6.000     5.000     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.595 ppm2      2.773 CV     1
 ASSI { 2623}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     5.000     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.059 ppm2      8.545 CV     1
 ASSI { 2624}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 81   and name HB  ))
      6.000     5.000     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.796 ppm2      1.945 CV     1
 ASSI { 2625}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
      6.000     5.000     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      4.015 CV     1
 ASSI { 2627}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.692 ppm2      1.851 CV     1
 ASSI { 2631}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     5.000     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.736 ppm2      8.140 CV     1
 ASSI { 2632}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD21))
      6.000     5.000     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.384 ppm2      7.598 CV     1
 ASSI { 2633}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.975 ppm2      8.143 CV     1
 ASSI { 2637}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.026 ppm2      9.066 CV     1
 ASSI { 2639}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 2    and name HN  ))
      4.300     2.800     1.700 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.38450E-03 ppm1      3.649 ppm2      8.180 CV     1
 ASSI { 2640}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      8.181 CV     1
 ASSI { 2641}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.457 ppm2      8.183 CV     1
 ASSI { 2642}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.943 ppm2      8.183 CV     1
 ASSI { 2643}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.500     2.000 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.60697E-03 ppm1      0.779 ppm2      8.513 CV     1
 OR { 2643}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2644}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.000     0.000 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.350 ppm2      8.520 CV     1
 ASSI { 2653}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.419 ppm2      8.106 CV     1
 ASSI { 2659}
   (( segid "    " and resid 6    and name HD3 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.412 ppm2      0.557 CV     1
 ASSI { 2662}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 81   and name HG1%)
      6.000     5.000     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.553 ppm2      0.728 CV     1
 ASSI { 2663}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.688 ppm2      0.594 CV     1
 ASSI { 2664}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.590 ppm2      9.056 CV     1
 ASSI { 2666}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.786 ppm2      8.336 CV     1
 ASSI { 2667}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      6.000     5.000     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.786 ppm2      1.751 CV     1
 ASSI { 2669}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HG  ))
      6.000     5.000     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.752 ppm2      1.387 CV     1
 ASSI { 2670}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     5.000     0.000 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.172 ppm2      1.745 CV     1
 ASSI { 2672}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HG12))
      6.000     5.000     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.837 ppm2      1.437 CV     1
 ASSI { 2673}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HB  ))
      6.000     5.000     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.837 ppm2      1.651 CV     1
 ASSI { 2674}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      1.443 CV     1
 OR { 2674}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 2674}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HG  ))
 OR { 2674}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI { 2680}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      6.000     5.000     0.000 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.256 ppm2      0.788 CV     1
 OR { 2680}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI { 2681}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.111 ppm2      0.526 CV     1
 ASSI { 2685}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.205 ppm2      0.672 CV     1
 ASSI { 2688}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 50   and name HG2%)
      6.000     5.000     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.207 ppm2      0.715 CV     1
 ASSI { 2689}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.757 ppm2      0.525 CV     1
 ASSI { 2691}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     5.000     0.000 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      0.869 CV     1
 ASSI { 2702}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.458 ppm2      0.743 CV     1
 ASSI { 2707}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     5.000     0.000 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.937 ppm2      2.655 CV     1
 ASSI { 2708}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     5.000     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.166 ppm2      1.615 CV     1
 ASSI { 2711}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
      4.400     2.900     1.600 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.34031E-03 ppm1      1.950 ppm2      0.347 CV     1
 ASSI { 2714}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 49   and name HG1%)
      6.000     5.000     0.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.651 ppm2      0.785 CV     1
 OR { 2714}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI { 2716}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
      6.000     5.000     0.000 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      0.631 CV     1
 OR { 2716}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 2717}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.044 ppm2      0.527 CV     1
 ASSI { 2718}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      9.457 CV     1
 ASSI { 2719}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     5.000     0.000 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.690 ppm2      2.282 CV     1
 ASSI { 2720}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     5.000     0.000 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.399 ppm2      2.282 CV     1
 ASSI { 2721}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     5.000     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.982 ppm2      2.282 CV     1
 ASSI { 2723}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 11   and name HG12))
      6.000     5.000     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      0.749 CV     1
 ASSI { 2728}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     5.000     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.944 ppm2      1.609 CV     1
 ASSI { 2729}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     5.000     0.000 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.111 ppm2      2.611 CV     1
 ASSI { 2733}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     5.000     0.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.285 ppm2      8.832 CV     1
 ASSI { 2734}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.000     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.283 ppm2      8.336 CV     1
 ASSI { 2735}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     5.000     0.000 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      3.102 CV     1
 ASSI { 2736}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      2.861 CV     1
 OR { 2736}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2738}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.518 ppm2      1.955 CV     1
 ASSI { 2739}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.516 ppm2      2.062 CV     1
 ASSI { 2741}
   (( segid "    " and resid 59   and name HD3 ))
   (  segid "    " and resid 59   and name HZ% )
      6.000     5.000     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      7.587 CV     1
 ASSI { 2742}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HZ% )
      6.000     5.000     0.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.598 ppm2      7.585 CV     1
 OR { 2742}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HZ% )
 ASSI { 2743}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.800     2.300     2.200 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      3.664 ppm2      7.621 CV     1
 ASSI { 2746}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.430 ppm2      6.815 CV     1
 ASSI { 2747}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.904 ppm2      6.815 CV     1
 ASSI { 2752}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      6.000     5.000     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.967 ppm2      6.459 CV     1
 ASSI { 2753}
   (( segid "    " and resid 48   and name HA1 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      6.655 CV     1
 ASSI { 2754}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.938 ppm2      9.055 CV     1
 ASSI { 2761}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      6.816 CV     1
 OR { 2761}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 14   and name HD% )
 ASSI { 2762}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.090 ppm2      0.593 CV     1
 ASSI { 2763}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.948 ppm2      0.742 CV     1
 ASSI { 2766}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     5.000     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.842 ppm2      3.249 CV     1
 ASSI { 2768}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.500     2.000     2.000 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.14396E-02 ppm1      2.957 ppm2      0.529 CV     1
 ASSI { 2770}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      0.530 CV     1
 ASSI { 2771}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.599 ppm2      0.528 CV     1
 ASSI { 2775}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      0.525 CV     1
 ASSI { 2777}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      9.460 CV     1
 ASSI { 2778}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.089 ppm2      9.462 CV     1
 ASSI { 2779}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.511 ppm2      0.593 CV     1
 ASSI { 2780}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HG12))
      6.000     5.000     0.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      0.473 CV     1
 ASSI { 2783}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HG12))
      6.000     5.000     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      0.747 CV     1
 ASSI { 2784}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      6.000     5.000     0.000 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.511 ppm2      0.783 CV     1
 OR { 2784}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI { 2787}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 4    and name HG12))
      6.000     5.000     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.256 ppm2      0.951 CV     1
 ASSI { 2788}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.000     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.284 ppm2      0.948 CV     1
 ASSI { 2797}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      3.600     2.100     2.100 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      1.264 ppm2      8.086 CV     1
 ASSI { 2798}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     2.000     2.000 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.14095E-02 ppm1      2.742 ppm2      7.936 CV     1
 ASSI { 2799}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     2.000     2.000 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.13493E-02 ppm1      2.632 ppm2      7.935 CV     1
 ASSI { 2800}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      7.915 CV     1
 OR { 2800}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2802}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      9.059 CV     1
 ASSI { 2803}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.108 ppm2      6.598 CV     1
 ASSI { 2805}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
      6.000     5.000     0.000 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.901 ppm2      6.598 CV     1
 ASSI { 2808}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.553 ppm2      8.719 CV     1
 ASSI { 2809}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      6.000     5.000     0.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.553 ppm2      7.883 CV     1
 ASSI { 2810}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.553 ppm2      7.566 CV     1
 ASSI { 2811}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.595 ppm2      6.657 CV     1
 OR { 2811}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2820}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     5.000     0.000 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.947 ppm2      7.933 CV     1
 ASSI { 2821}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     5.000     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.048 ppm2      7.894 CV     1
 ASSI { 2827}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.800     1.800 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      1.893 ppm2      8.107 CV     1
 ASSI { 2833}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 20   and name HE21))
      6.000     5.000     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.271 ppm2      7.561 CV     1
 ASSI { 2842}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      8.881 CV     1
 ASSI { 2846}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     5.000     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.445 ppm2      7.890 CV     1
 ASSI { 2849}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     5.000     0.000 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      3.656 CV     1
 ASSI { 2856}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG12))
      6.000     5.000     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.645 ppm2      1.435 CV     1
 ASSI { 2857}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 44   and name HA2 ))
      6.000     5.000     0.000 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.610 ppm2      3.421 CV     1


 ASSI { 1217}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.500     2.000     2.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      0.684 ppm2      9.455 CV     1
 OR { 1217}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 OR { 1217}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1218}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
      4.500     3.000     1.500 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.30210E-03 ppm1      0.740 ppm2      9.455 CV     1
 OR { 1218}
   (( segid "    " and resid 11   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
 OR { 1218}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1278}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 72   and name HE% )
      3.500     2.000     2.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      0.848 ppm2      7.076 CV     1
 OR { 1278}
   (( segid "    " and resid 75   and name HG13))
   (  segid "    " and resid 72   and name HE% )
 OR { 1278}
   (( segid "    " and resid 75   and name HG13))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 1340}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
      3.100     1.700     1.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.27370E-02 ppm1      2.802 ppm2      6.597 CV     1
 OR { 1340}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 1767}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 17   and name HE% )
      2.600     1.300     1.300 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.79955E-02 ppm1      0.848 ppm2      6.457 CV     1
 OR { 1767}
   (( segid "    " and resid 75   and name HG13))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 1770}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 17   and name HD% )
      2.600     1.400     1.400 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.72034E-02 ppm1      0.848 ppm2      6.655 CV     1
 OR { 1770}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
 ASSI { 1771}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 17   and name HD% )
      3.300     1.900     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.18318E-02 ppm1      2.090 ppm2      6.657 CV     1
 OR { 1771}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
      3.600     2.100     2.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      0.351 ppm2      8.547 CV     1
 OR { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1814}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      3.100     1.700     1.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.28865E-02 ppm1      4.029 ppm2      6.814 CV     1
 OR { 1814}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HD22))
 ASSI { 1815}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      3.300     1.800     1.800 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.20741E-02 ppm1      4.029 ppm2      6.598 CV     1
 OR { 1815}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 1816}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.600     1.600 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.39070E-02 ppm1      1.269 ppm2      9.547 CV     1
 OR { 1816}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2045}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 47   and name HB  ))
      6.000     5.000     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.937 ppm2      1.754 CV     1
 OR { 2045}
   (( segid "    " and resid 48   and name HA1 ))
   (( segid "    " and resid 49   and name HB  ))
 ASSI { 2046}
   (( segid "    " and resid 48   and name HA1 ))
   (  segid "    " and resid 47   and name HG2%)
      6.000     5.000     0.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.937 ppm2      0.667 CV     1
 OR { 2046}
   (( segid "    " and resid 48   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2047}
   (( segid "    " and resid 48   and name HA2 ))
   (  segid "    " and resid 47   and name HG1%)
      2.500     1.300     1.300 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.11104E-01 ppm1      2.656 ppm2      0.845 CV     1
 OR { 2047}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2047}
   (( segid "    " and resid 48   and name HA2 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 2251}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.600     2.100     2.100 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      0.647 ppm2      9.841 CV     1
 OR { 2251}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
 OR { 2251}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2253}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      2.600     1.400     1.400 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.72205E-02 ppm1      0.545 ppm2      9.013 CV     1
 OR { 2253}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 OR { 2253}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2254}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     2.300     2.200 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.84993E-03 ppm1      1.120 ppm2      9.456 CV     1
 OR { 2254}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2254}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 OR { 2254}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2258}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.600     1.600 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.38174E-02 ppm1      0.854 ppm2      9.063 CV     1
 OR { 2258}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2261}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
      3.200     1.800     1.800 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.24360E-02 ppm1      0.529 ppm2      6.654 CV     1
 OR { 2261}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2265}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.700     1.700 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.27306E-02 ppm1      1.234 ppm2      7.618 CV     1
 OR { 2265}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2268}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 68   and name HG2%)
      3.100     1.700     1.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.30551E-02 ppm1      2.630 ppm2      1.051 CV     1
 OR { 2268}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 66   and name HG2%)
 OR { 2268}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI { 2269}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      3.200     1.800     1.800 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.22097E-02 ppm1      0.689 ppm2     -0.150 CV     1
 OR { 2269}
   (  segid "    " and resid 73   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2270}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.900     1.900 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.17631E-02 ppm1      0.650 ppm2     -0.150 CV     1
 OR { 2270}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 OR { 2270}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2273}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.800     2.300     2.200 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.77649E-03 ppm1      1.385 ppm2     -0.150 CV     1
 OR { 2273}
   (( segid "    " and resid 74   and name HG13))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2274}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
      3.200     1.800     1.800 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.24318E-02 ppm1      2.504 ppm2     -0.153 CV     1
 OR { 2274}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2282}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.458 ppm2      0.557 CV     1
 OR { 2282}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 2286}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      3.100     1.700     1.700 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.26495E-02 ppm1      1.884 ppm2      1.054 CV     1
 OR { 2286}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 2289}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.896 ppm2      0.522 CV     1
 OR { 2289}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2295}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.900     1.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.16595E-02 ppm1      5.517 ppm2      9.062 CV     1
 OR { 2295}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2302}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      2.800     1.500     1.500 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.54548E-02 ppm1      4.249 ppm2      6.814 CV     1
 OR { 2302}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
 ASSI { 2307}
   (  segid "    " and resid 74   and name HG2%)
   (  segid "    " and resid 72   and name HE% )
      3.600     2.100     2.100 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      0.629 ppm2      7.074 CV     1
 OR { 2307}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 72   and name HE% )
 OR { 2307}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 72   and name HZ  ))
 OR { 2307}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 72   and name HE% )
 ASSI { 2308}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 72   and name HD% )
      3.600     2.100     2.100 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.11817E-02 ppm1      0.629 ppm2      6.982 CV     1
 OR { 2308}
   (  segid "    " and resid 74   and name HG2%)
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2310}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 72   and name HD% )
      3.300     1.800     1.800 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.20971E-02 ppm1      0.697 ppm2      6.982 CV     1
 OR { 2310}
   (  segid "    " and resid 73   and name HD2%)
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2319}
   (( segid "    " and resid 74   and name HG12))
   (  segid "    " and resid 72   and name HD% )
      4.100     2.600     1.900 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.53054E-03 ppm1      1.044 ppm2      6.987 CV     1
 OR { 2319}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2323}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      4.400     2.900     1.600 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.36017E-03 ppm1      7.461 ppm2      6.599 CV     1
 OR { 2323}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2326}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     2.000     2.000 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      8.269 ppm2      6.454 CV     1
 OR { 2326}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2328}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.800     2.300     2.200 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.79016E-03 ppm1      9.065 ppm2      6.454 CV     1
 OR { 2328}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2329}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      2.800     1.500     1.500 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.53823E-02 ppm1      9.055 ppm2      6.655 CV     1
 OR { 2329}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2333}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
      3.900     2.400     2.100 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.73742E-03 ppm1      8.279 ppm2      6.985 CV     1
 OR { 2333}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2353}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.128 ppm2      0.528 CV     1
 OR { 2353}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2357}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HB% )
      2.700     1.400     1.400 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.61124E-02 ppm1      1.794 ppm2      1.264 CV     1
 OR { 2357}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 1    and name HB% )
 ASSI { 2358}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
      2.500     1.300     1.300 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.93640E-02 ppm1      2.751 ppm2      0.634 CV     1
 OR { 2358}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2358}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2358}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
 OR { 2358}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2359}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 43   and name HD2%)
      2.900     1.500     1.500 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.43105E-02 ppm1      2.520 ppm2      0.633 CV     1
 OR { 2359}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2359}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2360}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      2.400     1.200     1.200 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.12558E-01 ppm1      2.651 ppm2      0.525 CV     1
 OR { 2360}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2361}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 4    and name HG12))
      3.400     2.000     2.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.15455E-02 ppm1      2.651 ppm2      0.949 CV     1
 OR { 2361}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 2361}
   (( segid "    " and resid 48   and name HA2 ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 2362}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.800     1.500     1.500 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.48528E-02 ppm1      4.402 ppm2      0.867 CV     1
 OR { 2362}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 75   and name HG13))
 ASSI { 2367}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      6.000     5.000     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.939 ppm2      1.271 CV     1
 OR { 2367}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
 ASSI { 2368}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      3.500     2.000     2.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.13717E-02 ppm1      5.284 ppm2      0.850 CV     1
 OR { 2368}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2369}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      3.200     1.800     1.800 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.22161E-02 ppm1      5.515 ppm2      0.848 CV     1
 OR { 2369}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 75   and name HG13))
 ASSI { 2371}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     2.300     2.200 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.82367E-03 ppm1      5.519 ppm2      1.124 CV     1
 OR { 2371}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2371}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2371}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2372}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
      6.000     5.000     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      0.633 CV     1
 OR { 2372}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2372}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2377}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      4.200     2.700     1.800 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.45347E-03 ppm1      5.291 ppm2      1.280 CV     1
 OR { 2377}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 4    and name HG13))
 ASSI { 2380}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.800     1.800 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.21606E-02 ppm1      4.548 ppm2      0.528 CV     1
 OR { 2380}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2381}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.600     2.200     2.200 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      4.612 ppm2      0.530 CV     1
 OR { 2381}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2382}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 43   and name HD2%)
      2.900     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.38344E-02 ppm1      4.405 ppm2      0.633 CV     1
 OR { 2382}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2382}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 74   and name HG2%)
 ASSI { 2383}
   (( segid "    " and resid 69   and name HA2 ))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.736 ppm2      0.634 CV     1
 OR { 2383}
   (( segid "    " and resid 69   and name HA2 ))
   (  segid "    " and resid 74   and name HG2%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 73   and name HD1%)
 OR { 2383}
   (( segid "    " and resid 69   and name HA2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2383}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 74   and name HG2%)
 ASSI { 2388}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
      4.000     2.500     2.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.65116E-03 ppm1      4.615 ppm2      1.124 CV     1
 OR { 2388}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2388}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2390}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 74   and name HD1%)
      3.000     1.600     1.600 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.35718E-02 ppm1      4.402 ppm2      0.697 CV     1
 OR { 2390}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 2391}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      3.100     1.700     1.700 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.30615E-02 ppm1      4.690 ppm2      1.055 CV     1
 OR { 2391}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI { 2392}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      3.100     1.700     1.700 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.25705E-02 ppm1      4.398 ppm2      1.271 CV     1
 OR { 2392}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
 ASSI { 2393}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     5.000     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      2.167 CV     1
 OR { 2393}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2393}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2395}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 43   and name HB3 ))
      3.900     2.400     2.100 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.69643E-03 ppm1      4.405 ppm2      1.610 CV     1
 OR { 2395}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
 OR { 2395}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 74   and name HB  ))
 ASSI { 2403}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.000     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.873 ppm2      1.124 CV     1
 OR { 2403}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2403}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2404}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 73   and name HD2%)
      2.700     1.400     1.400 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.68725E-02 ppm1      2.502 ppm2      0.694 CV     1
 OR { 2404}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2404}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2404}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 50   and name HD1%)
 OR { 2404}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2404}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2405}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.628 ppm2      0.531 CV     1
 OR { 2405}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2407}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.200     1.800     1.800 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.23228E-02 ppm1      4.690 ppm2      8.446 CV     1
 OR { 2407}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2413}
   (( segid "    " and resid 74   and name HG13))
   (  segid "    " and resid 72   and name HE% )
      6.000     5.000     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.372 ppm2      7.075 CV     1
 OR { 2413}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 72   and name HE% )
 OR { 2413}
   (( segid "    " and resid 74   and name HG13))
   (( segid "    " and resid 72   and name HZ  ))
 ASSI { 2414}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 72   and name HD% )
      6.000     5.000     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      6.984 CV     1
 OR { 2414}
   (( segid "    " and resid 74   and name HG13))
   (  segid "    " and resid 72   and name HD% )
 ASSI { 2422}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD22))
      6.000     5.000     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      6.865 CV     1
 OR { 2422}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HD22))
 OR { 2422}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HD22))
 ASSI { 2423}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
      3.000     1.600     1.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.36145E-02 ppm1      2.727 ppm2      6.598 CV     1
 OR { 2423}
   (( segid "    " and resid 62   and name HE2 ))
   (  segid "    " and resid 14   and name HE% )
 OR { 2423}
   (( segid "    " and resid 62   and name HE3 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2430}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     5.000     0.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      8.978 CV     1
 OR { 2430}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2434}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     5.000     0.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.403 ppm2      8.548 CV     1
 OR { 2434}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 2436}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      4.600     3.100     1.400 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.27007E-03 ppm1     -0.149 ppm2      9.456 CV     1
 OR { 2436}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2440}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.700     2.200     2.200 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.96223E-03 ppm1      2.728 ppm2      6.452 CV     1
 OR { 2440}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2442}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
      3.700     2.200     2.200 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.10451E-02 ppm1      4.256 ppm2      6.597 CV     1
 OR { 2442}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 2443}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
      3.500     2.000     2.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.13952E-02 ppm1      0.757 ppm2      6.653 CV     1
 OR { 2443}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 17   and name HD% )
 OR { 2443}
   (  segid "    " and resid 65   and name HG1%)
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2457}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 47   and name HG2%)
      3.200     1.800     1.800 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.23057E-02 ppm1      2.092 ppm2      0.672 CV     1
 OR { 2457}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2461}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.839 ppm2      0.672 CV     1
 OR { 2461}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2461}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2469}
   (( segid "    " and resid 4    and name HG13))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.270 ppm2      0.736 CV     1
 OR { 2469}
   (( segid "    " and resid 4    and name HG13))
   (  segid "    " and resid 50   and name HG2%)
 ASSI { 2472}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      0.736 CV     1
 OR { 2472}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2475}
   (( segid "    " and resid 53   and name HG3 ))
   (  segid "    " and resid 1    and name HB% )
      2.800     1.500     1.500 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.49061E-02 ppm1      2.087 ppm2      1.267 CV     1
 OR { 2475}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 2488}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      7.558 CV     1
 OR { 2488}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD21))
 ASSI { 2489}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.616 ppm2      7.559 CV     1
 OR { 2489}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD21))
 OR { 2489}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2491}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      0.524 CV     1
 OR { 2491}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2493}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.000     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.127 ppm2      0.683 CV     1
 OR { 2493}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2493}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2493}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2506}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.900     2.400     2.100 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.75919E-03 ppm1      1.270 ppm2      9.464 CV     1
 OR { 2506}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 61   and name HN  ))
 OR { 2506}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2506}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2507}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      9.455 CV     1
 OR { 2507}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2507}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2512}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      6.656 CV     1
 OR { 2512}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2514}
   (( segid "    " and resid 15   and name HD3 ))
   (  segid "    " and resid 47   and name HG1%)
      6.000     5.000     0.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      0.846 CV     1
 OR { 2514}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2514}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2515}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 47   and name HG1%)
      6.000     5.000     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      0.846 CV     1
 OR { 2515}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2515}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2516}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.000     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.898 ppm2      1.124 CV     1
 OR { 2516}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2516}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2519}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.500     2.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.57644E-03 ppm1      1.893 ppm2      8.030 CV     1
 OR { 2519}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2522}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.000     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.661 ppm2      2.091 CV     1
 OR { 2522}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 2522}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 2523}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     5.000     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.662 ppm2      1.516 CV     1
 OR { 2523}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR { 2523}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2523}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 2523}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 2523}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2525}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.900     1.900 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      2.616 ppm2      1.611 CV     1
 OR { 2525}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2525}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2530}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      4.700     3.200     1.300 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.23634E-03 ppm1      1.145 ppm2      6.454 CV     1
 OR { 2530}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 2547}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 78   and name HB% )
      6.000     5.000     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.577 ppm2      1.235 CV     1
 OR { 2547}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 77   and name HB% )
 ASSI { 2549}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      3.600     2.100     2.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.11172E-02 ppm1      2.579 ppm2      7.440 CV     1
 OR { 2549}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 2549}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2550}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
      6.000     5.000     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.578 ppm2      0.756 CV     1
 OR { 2550}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 11   and name HG2%)
 OR { 2550}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 32   and name HD1%)
 OR { 2550}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
 OR { 2550}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HG12))
 ASSI { 2557}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     5.000     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      0.740 CV     1
 OR { 2557}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 2562}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     5.000     0.000 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      1.122 CV     1
 OR { 2562}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2562}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2562}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2562}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2562}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 2564}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
      6.000     5.000     0.000 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.501 ppm2      0.845 CV     1
 OR { 2564}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 75   and name HG13))
 OR { 2564}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2564}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2565}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
      6.000     5.000     0.000 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.853 ppm2      0.847 CV     1
 OR { 2565}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2565}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2566}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.000     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.939 ppm2      0.948 CV     1
 OR { 2566}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 4    and name HG12))
 ASSI { 2567}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     5.000     0.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.733 ppm2      2.747 CV     1
 OR { 2567}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR { 2567}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR { 2567}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR { 2567}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI { 2568}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     5.000     0.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.610 ppm2      2.768 CV     1
 OR { 2568}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR { 2568}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 59   and name HE2 ))
 ASSI { 2570}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      6.000     5.000     0.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.736 ppm2      3.775 CV     1
 OR { 2570}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2570}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI { 2573}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     2.000     2.000 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.13615E-02 ppm1      4.274 ppm2      3.874 CV     1
 OR { 2573}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 5    and name HA2 ))
 ASSI { 2574}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     2.100     2.100 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      4.559 ppm2      3.276 CV     1
 OR { 2574}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2579}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     5.000     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.875 CV     1
 OR { 2579}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2580}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
      6.000     5.000     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      2.632 CV     1
 OR { 2580}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR { 2580}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 70   and name HB3 ))
 ASSI { 2587}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     5.000     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      2.018 CV     1
 OR { 2587}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 2595}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.000     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      8.720 CV     1
 OR { 2595}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2596}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.609 ppm2      9.013 CV     1
 OR { 2596}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
 OR { 2596}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2598}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
      3.700     2.200     2.200 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.94430E-03 ppm1      4.617 ppm2      1.222 CV     1
 OR { 2598}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HB% )
 OR { 2598}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
 ASSI { 2599}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HG  ))
      3.600     2.100     2.100 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.12204E-02 ppm1      4.470 ppm2      1.419 CV     1
 OR { 2599}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HG  ))
 ASSI { 2606}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HA2 ))
      6.000     5.000     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      3.459 CV     1
 OR { 2606}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI { 2607}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.000     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.557 ppm2      3.728 CV     1
 OR { 2607}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR { 2607}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR { 2607}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 2612}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HB% )
      6.000     5.000     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.109 ppm2      1.242 CV     1
 OR { 2612}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 2630}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     5.000     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      4.400 CV     1
 OR { 2630}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 2630}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HA1 ))
 OR { 2630}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 2634}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 78   and name HB% )
      3.400     2.000     2.000 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.15455E-02 ppm1      4.769 ppm2      1.231 CV     1
 OR { 2634}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 82   and name HB% )
 ASSI { 2636}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.458 ppm2      0.528 CV     1
 OR { 2636}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2638}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      4.100     2.700     1.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.48784E-03 ppm1      4.410 ppm2      0.527 CV     1
 OR { 2638}
   (( segid "    " and resid 44   and name HA1 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 2638}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2645}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 75   and name HG12))
      3.800     2.300     2.200 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.83798E-03 ppm1      1.381 ppm2      0.469 CV     1
 OR { 2645}
   (( segid "    " and resid 74   and name HG13))
   (( segid "    " and resid 75   and name HG12))
 ASSI { 2646}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 75   and name HG12))
      6.000     5.000     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.629 ppm2      0.471 CV     1
 OR { 2646}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 75   and name HG12))
 ASSI { 2647}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      3.000     1.600     1.600 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.32345E-02 ppm1      4.779 ppm2      0.673 CV     1
 OR { 2647}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2648}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      3.100     1.700     1.700 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.26260E-02 ppm1      4.782 ppm2      0.640 CV     1
 OR { 2648}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2648}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2648}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2648}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 74   and name HG2%)
 OR { 2648}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 2650}
   (( segid "    " and resid 5    and name HA1 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.551 ppm2      0.552 CV     1
 OR { 2650}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 2651}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
      6.000     5.000     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      0.636 CV     1
 OR { 2651}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2651}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2651}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2651}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 73   and name HD1%)
 OR { 2651}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2654}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     5.000     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.418 ppm2      2.513 CV     1
 OR { 2654}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI { 2655}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     5.000     0.000 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.413 ppm2      2.511 CV     1
 OR { 2655}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 2657}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 43   and name HD1%)
      6.000     5.000     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.416 ppm2      0.631 CV     1
 OR { 2657}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2657}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 74   and name HG2%)
 ASSI { 2658}
   (( segid "    " and resid 6    and name HD3 ))
   (  segid "    " and resid 50   and name HG2%)
      6.000     5.000     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.412 ppm2      0.716 CV     1
 OR { 2658}
   (( segid "    " and resid 44   and name HA2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2660}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.516 ppm2      8.695 CV     1
 OR { 2660}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2661}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.524 ppm2      0.529 CV     1
 OR { 2661}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2668}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.000     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.749 ppm2      0.947 CV     1
 OR { 2668}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 4    and name HG12))
 ASSI { 2675}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     5.000     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.840 ppm2      1.514 CV     1
 OR { 2675}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2676}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     5.000     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.771 ppm2      1.495 CV     1
 OR { 2676}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 34   and name HB3 ))
 OR { 2676}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HB3 ))
 OR { 2676}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 39   and name HB3 ))
 OR { 2676}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 2679}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     5.000     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      1.123 CV     1
 OR { 2679}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR { 2679}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2679}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2682}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.780 ppm2      0.526 CV     1
 OR { 2682}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 2682}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2683}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.000     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.728 ppm2      0.526 CV     1
 OR { 2683}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2684}
   (( segid "    " and resid 36   and name HD2 ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      0.780 CV     1
 OR { 2684}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
 OR { 2684}
   (( segid "    " and resid 36   and name HD2 ))
   (  segid "    " and resid 34   and name HD1%)
 OR { 2684}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 39   and name HD1%)
 OR { 2684}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 2686}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      6.000     5.000     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.106 ppm2      0.669 CV     1
 OR { 2686}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2687}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.000     0.000 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.589 ppm2      0.557 CV     1
 OR { 2687}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 2695}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      6.000     5.000     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.773 ppm2      0.589 CV     1
 OR { 2695}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 2696}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     5.000     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      0.851 CV     1
 OR { 2696}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 75   and name HG13))
 OR { 2696}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 75   and name HG13))
 ASSI { 2699}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 50   and name HG2%)
      6.000     5.000     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.605 ppm2      0.721 CV     1
 OR { 2699}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 2699}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2700}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.844 ppm2      0.691 CV     1
 OR { 2700}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2700}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 2701}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
      6.000     5.000     0.000 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.735 ppm2      0.691 CV     1
 OR { 2701}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2701}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2701}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2704}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HG2%)
      6.000     5.000     0.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      0.756 CV     1
 OR { 2704}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 OR { 2704}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 2704}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HG1%)
 OR { 2704}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI { 2705}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     5.000     0.000 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.504 CV     1
 OR { 2705}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR { 2705}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI { 2710}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
      6.000     5.000     0.000 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.614 ppm2     -0.152 CV     1
 OR { 2710}
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 2710}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2713}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.000     0.000 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.751 ppm2      0.946 CV     1
 OR { 2713}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 4    and name HG12))
 ASSI { 2730}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     5.000     0.000 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.406 ppm2      2.831 CV     1
 OR { 2730}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 2731}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     5.000     0.000 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      2.749 CV     1
 OR { 2731}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
 OR { 2731}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI { 2732}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.110 ppm2      9.059 CV     1
 OR { 2732}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2740}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 74   and name HG2%)
      6.000     5.000     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.002 ppm2      0.638 CV     1
 OR { 2740}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2740}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2740}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2745}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 33   and name HD22))
      6.000     5.000     0.000 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      6.817 CV     1
 OR { 2745}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HD22))
 OR { 2745}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HD22))
 OR { 2745}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 33   and name HD22))
 ASSI { 2755}
   (( segid "    " and resid 48   and name HA2 ))
   (  segid "    " and resid 17   and name HD% )
      6.000     5.000     0.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.658 ppm2      6.655 CV     1
 OR { 2755}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2757}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.752 ppm2      8.713 CV     1
 OR { 2757}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
 OR { 2757}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2759}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HD21))
      6.000     5.000     0.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.533 ppm2      7.445 CV     1
 OR { 2759}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 15   and name HZ% )
 ASSI { 2760}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 79   and name HD21))
      6.000     5.000     0.000 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.322 ppm2      7.441 CV     1
 OR { 2760}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 79   and name HD21))
 OR { 2760}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 15   and name HZ% )
 OR { 2760}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 15   and name HZ% )
 ASSI { 2765}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.000     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      2.095 CV     1
 OR { 2765}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2776}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     5.000     0.000 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      0.525 CV     1
 OR { 2776}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 OR { 2776}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2789}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 4    and name HG13))
      6.000     5.000     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.451 ppm2      1.272 CV     1
 OR { 2789}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 1    and name HB% )
 ASSI { 2790}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      0.780 CV     1
 OR { 2790}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 37   and name HG1%)
 OR { 2790}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 37   and name HG2%)
 ASSI { 2793}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 66   and name HG2%)
      6.000     5.000     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.509 ppm2      1.045 CV     1
 OR { 2793}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 74   and name HG12))
 OR { 2793}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 2793}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 2793}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 2793}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2794}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 66   and name HG2%)
      6.000     5.000     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.751 ppm2      1.053 CV     1
 OR { 2794}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2796}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.600     1.900 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.53311E-03 ppm1      1.599 ppm2      9.454 CV     1
 OR { 2796}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2796}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2804}
   (( segid "    " and resid 62   and name HE2 ))
   (  segid "    " and resid 14   and name HD% )
      6.000     5.000     0.000 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.724 ppm2      6.815 CV     1
 OR { 2804}
   (( segid "    " and resid 62   and name HE3 ))
   (  segid "    " and resid 14   and name HD% )
 OR { 2804}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
 ASSI { 2806}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 67   and name HD22))
      6.000     5.000     0.000 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      6.862 CV     1
 OR { 2806}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HD22))
 ASSI { 2807}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.895 ppm2      8.717 CV     1
 OR { 2807}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2813}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.619 ppm2      8.634 CV     1
 OR { 2813}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 2813}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 2816}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 20   and name HE22))
      6.000     5.000     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.273 ppm2      6.819 CV     1
 OR { 2816}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 14   and name HD% )
 ASSI { 2818}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      6.000     5.000     0.000 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.690 ppm2      7.890 CV     1
 OR { 2818}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2822}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     5.000     0.000 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      8.139 CV     1
 OR { 2822}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
 OR { 2822}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2823}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     5.000     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.657 ppm2      8.138 CV     1
 OR { 2823}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2824}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     5.000     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.631 ppm2      8.445 CV     1
 OR { 2824}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2832}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 76   and name HD21))
      6.000     5.000     0.000 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      7.540 CV     1
 OR { 2832}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 76   and name HD21))
 ASSI { 2835}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      9.012 CV     1
 OR { 2835}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2836}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.764 ppm2      9.012 CV     1
 OR { 2836}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2844}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.583 ppm2      8.251 CV     1
 OR { 2844}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -9.380   6.492   8.301
    2   2H    ALA   1          2H        ALA   1  -9.880   6.746   6.703
    3   3H    ALA   1          3H        ALA   1  -8.736   7.782   7.408
    4    HA   ALA   1           HA       ALA   1  -7.633   6.293   5.922
    5   1HB   ALA   1          1HB       ALA   1  -6.198   5.071   7.704
    6   2HB   ALA   1          2HB       ALA   1  -6.216   6.835   7.668
    7   3HB   ALA   1          3HB       ALA   1  -7.184   5.968   8.859
    8    H    THR   2           H        THR   2  -6.897   4.030   5.568
    9    HA   THR   2           HA       THR   2  -9.187   2.309   5.519
   10    HB   THR   2           HB       THR   2  -6.620   1.110   4.765
   11    HG1  THR   2           1HG      THR   2  -6.183   2.513   3.085
   12   1HG2  THR   2          1HG2      THR   2  -7.962   0.028   3.349
   13   2HG2  THR   2          2HG2      THR   2  -8.525   1.541   2.640
   14   3HG2  THR   2          3HG2      THR   2  -9.320   0.888   4.072
   15    H    THR   3           H        THR   3  -9.727   1.515   7.457
   16    HA   THR   3           HA       THR   3  -7.773   0.504   9.326
   17    HB   THR   3           HB       THR   3 -10.444  -0.350   9.954
   18    HG1  THR   3           1HG      THR   3 -10.257   2.457   9.516
   19   1HG2  THR   3          1HG2      THR   3  -9.577   1.930  11.465
   20   2HG2  THR   3          2HG2      THR   3  -8.216   0.842  11.197
   21   3HG2  THR   3          3HG2      THR   3  -9.683   0.241  11.965
   22    H    ILE   4           H        ILE   4  -6.843  -1.413   9.024
   23    HA   ILE   4           HA       ILE   4  -7.992  -3.343   7.231
   24    HB   ILE   4           HB       ILE   4  -5.498  -3.490   8.936
   25   1HG1  ILE   4          1HG1      ILE   4  -5.463  -3.359   5.961
   26   2HG1  ILE   4          2HG1      ILE   4  -5.910  -1.873   6.834
   27   1HG2  ILE   4          1HG2      ILE   4  -5.361  -5.649   8.433
   28   2HG2  ILE   4          2HG2      ILE   4  -6.908  -5.560   7.593
   29   3HG2  ILE   4          3HG2      ILE   4  -5.411  -5.255   6.715
   30   1HD1  ILE   4          1HD1      ILE   4  -3.818  -1.663   7.795
   31   2HD1  ILE   4          2HD1      ILE   4  -3.433  -3.373   7.598
   32   3HD1  ILE   4          3HD1      ILE   4  -3.429  -2.301   6.197
   33    H    GLY   5           H        GLY   5  -9.398  -4.852   7.781
   34   1HA   GLY   5          1HA       GLY   5  -9.509  -5.715  10.600
   35   2HA   GLY   5          2HA       GLY   5 -10.903  -5.666   9.527
   36    HA   PRO   6           HA       PRO   6  -8.673  -9.880   9.566
   37   1HB   PRO   6          1HB       PRO   6 -10.563 -11.343  10.912
   38   2HB   PRO   6          2HB       PRO   6  -9.242 -10.439  11.721
   39   1HG   PRO   6          1HG       PRO   6 -12.072  -9.599  11.286
   40   2HG   PRO   6          2HG       PRO   6 -11.108  -9.535  12.797
   41   1HD   PRO   6          1HD       PRO   6 -11.486  -7.363  11.220
   42   2HD   PRO   6          2HD       PRO   6  -9.924  -7.655  12.044
   43    H    ASN   7           H        ASN   7 -11.748  -8.623   8.730
   44    HA   ASN   7           HA       ASN   7 -12.199 -10.840   6.845
   45   1HB   ASN   7          1HB       ASN   7 -14.588  -9.407   6.979
   46   2HB   ASN   7          2HB       ASN   7 -14.251 -10.973   7.747
   47   1HD2  ASN   7          1HD2      ASN   7 -14.670 -11.049   9.816
   48   2HD2  ASN   7          2HD2      ASN   7 -14.654  -9.724  10.931
   49    H    THR   8           H        THR   8 -10.402  -8.864   6.190
   50    HA   THR   8           HA       THR   8 -11.537  -6.741   4.689
   51    HB   THR   8           HB       THR   8  -9.071  -7.273   3.539
   52    HG1  THR   8           1HG      THR   8  -8.624  -7.665   6.292
   53   1HG2  THR   8          1HG2      THR   8  -8.818  -5.726   5.977
   54   2HG2  THR   8          2HG2      THR   8 -10.267  -5.282   5.074
   55   3HG2  THR   8          3HG2      THR   8  -8.684  -5.204   4.299
   56    H    CYS   9           H        CYS   9  -9.751  -9.567   3.500
   57    HA   CYS   9           HA       CYS   9 -11.796  -9.958   1.430
   58   1HB   CYS   9          1HB       CYS   9  -9.310 -10.794   0.348
   59   2HB   CYS   9          2HB       CYS   9 -10.354  -9.478  -0.212
   60    H    SER  10           H        SER  10 -12.457 -11.501   3.141
   61    HA   SER  10           HA       SER  10 -10.647 -13.612   3.861
   62   1HB   SER  10          1HB       SER  10 -13.328 -14.208   4.646
   63   2HB   SER  10          2HB       SER  10 -11.968 -13.666   5.660
   64    HG   SER  10           HG       SER  10 -14.165 -12.322   5.036
   65    H    ILE  11           H        ILE  11 -10.489 -14.093   1.415
   66    HA   ILE  11           HA       ILE  11 -12.520 -15.967   0.500
   67    HB   ILE  11           HB       ILE  11  -9.835 -15.642  -0.812
   68   1HG1  ILE  11          1HG1      ILE  11 -11.933 -13.853  -1.826
   69   2HG1  ILE  11          2HG1      ILE  11 -11.354 -13.432  -0.197
   70   1HG2  ILE  11          1HG2      ILE  11 -10.946 -16.266  -2.784
   71   2HG2  ILE  11          2HG2      ILE  11 -11.603 -17.318  -1.532
   72   3HG2  ILE  11          3HG2      ILE  11 -12.535 -15.931  -2.097
   73   1HD1  ILE  11          1HD1      ILE  11  -9.676 -13.720  -2.691
   74   2HD1  ILE  11          2HD1      ILE  11 -10.078 -12.222  -1.852
   75   3HD1  ILE  11          3HD1      ILE  11  -9.042 -13.418  -1.075
   76    H    ASP  12           H        ASP  12  -9.100 -16.547   0.149
   77    HA   ASP  12           HA       ASP  12  -9.296 -19.018   1.693
   78   1HB   ASP  12          1HB       ASP  12  -8.131 -18.766  -0.619
   79   2HB   ASP  12          2HB       ASP  12  -6.827 -17.973   0.290
   80    H    ASP  13           H        ASP  13  -6.802 -19.236   2.796
   81    HA   ASP  13           HA       ASP  13  -6.733 -17.268   4.879
   82   1HB   ASP  13          1HB       ASP  13  -6.006 -19.582   5.297
   83   2HB   ASP  13          2HB       ASP  13  -4.696 -19.387   4.113
   84    H    TYR  14           H        TYR  14  -6.657 -15.419   3.514
   85    HA   TYR  14           HA       TYR  14  -4.208 -14.958   1.997
   86   1HB   TYR  14          1HB       TYR  14  -6.975 -13.874   1.979
   87   2HB   TYR  14          2HB       TYR  14  -5.686 -12.725   1.587
   88    HD1  TYR  14           1HD      TYR  14  -7.814 -15.275   0.297
   89    HD2  TYR  14           2HD      TYR  14  -4.007 -13.464  -0.241
   90    HE1  TYR  14           1HE      TYR  14  -7.730 -16.150  -1.999
   91    HE2  TYR  14           2HE      TYR  14  -3.909 -14.329  -2.537
   92    HH   TYR  14           HH       TYR  14  -5.542 -15.065  -4.311
   93    H    LYS  15           H        LYS  15  -2.708 -13.478   2.556
   94    HA   LYS  15           HA       LYS  15  -2.993 -12.218   5.165
   95   1HB   LYS  15          1HB       LYS  15  -0.592 -12.187   3.318
   96   2HB   LYS  15          2HB       LYS  15  -0.629 -11.745   5.042
   97   1HG   LYS  15          1HG       LYS  15  -0.981 -14.015   5.695
   98   2HG   LYS  15          2HG       LYS  15  -1.244 -14.521   4.009
   99   1HD   LYS  15          1HD       LYS  15   1.350 -13.301   4.988
  100   2HD   LYS  15          2HD       LYS  15   1.037 -15.053   4.987
  101   1HE   LYS  15          1HE       LYS  15   1.041 -15.193   2.680
  102   2HE   LYS  15          2HE       LYS  15   0.583 -13.489   2.469
  103   1HZ   LYS  15          1HZ       LYS  15   2.818 -12.862   3.220
  104   2HZ   LYS  15          2HZ       LYS  15   2.874 -13.832   1.829
  105   3HZ   LYS  15          3HZ       LYS  15   3.248 -14.501   3.344
  106    HA   PRO  16           HA       PRO  16  -4.154  -8.413   3.106
  107   1HB   PRO  16          1HB       PRO  16  -4.079  -7.261   5.827
  108   2HB   PRO  16          2HB       PRO  16  -5.454  -7.479   4.697
  109   1HG   PRO  16          1HG       PRO  16  -5.162  -8.914   6.960
  110   2HG   PRO  16          2HG       PRO  16  -6.020  -9.530   5.509
  111   1HD   PRO  16          1HD       PRO  16  -3.241 -10.104   6.543
  112   2HD   PRO  16          2HD       PRO  16  -4.411 -11.195   5.741
  113    H    TYR  17           H        TYR  17  -2.992  -6.717   2.418
  114    HA   TYR  17           HA       TYR  17  -0.540  -5.965   3.859
  115   1HB   TYR  17          1HB       TYR  17  -0.822  -6.733   0.956
  116   2HB   TYR  17          2HB       TYR  17   0.484  -5.671   1.507
  117    HD1  TYR  17           1HD      TYR  17   2.330  -6.557   2.823
  118    HD2  TYR  17           2HD      TYR  17  -0.844  -9.094   1.581
  119    HE1  TYR  17           1HE      TYR  17   3.714  -8.526   3.335
  120    HE2  TYR  17           2HE      TYR  17   0.520 -11.071   2.099
  121    HH   TYR  17           HH       TYR  17   3.738 -11.035   2.426
  122    H    CYS  18           H        CYS  18  -0.269  -3.779   3.961
  123    HA   CYS  18           HA       CYS  18  -1.997  -2.170   2.203
  124   1HB   CYS  18          1HB       CYS  18  -1.569  -0.335   3.972
  125   2HB   CYS  18          2HB       CYS  18  -2.726  -1.625   4.339
  126    H    CYS  19           H        CYS  19  -1.025  -1.015   0.688
  127    HA   CYS  19           HA       CYS  19   1.491   0.291   1.233
  128   1HB   CYS  19          1HB       CYS  19   2.359  -0.678  -1.052
  129   2HB   CYS  19          2HB       CYS  19   2.590  -1.578   0.455
  130    H    GLN  20           H        GLN  20   2.105   1.762  -0.584
  131    HA   GLN  20           HA       GLN  20  -0.270   3.021  -1.629
  132   1HB   GLN  20          1HB       GLN  20   2.648   3.675  -1.518
  133   2HB   GLN  20          2HB       GLN  20   1.633   4.510  -2.719
  134   1HG   GLN  20          1HG       GLN  20   0.780   5.865  -1.177
  135   2HG   GLN  20          2HG       GLN  20   0.383   4.506  -0.104
  136   1HE2  GLN  20          1HE2      GLN  20   1.892   7.304  -0.070
  137   2HE2  GLN  20          2HE2      GLN  20   3.206   6.983   1.013
  138    H    SER  21           H        SER  21  -1.216   2.194  -3.378
  139    HA   SER  21           HA       SER  21   0.452   0.845  -5.370
  140   1HB   SER  21          1HB       SER  21  -2.547   0.723  -5.385
  141   2HB   SER  21          2HB       SER  21  -1.363  -0.500  -5.903
  142    HG   SER  21           HG       SER  21  -1.987   0.278  -3.225
  143    H    MET  22           H        MET  22   0.070   3.815  -5.189
  144    HA   MET  22           HA       MET  22  -1.253   4.364  -7.724
  145   1HB   MET  22          1HB       MET  22  -1.130   6.620  -7.222
  146   2HB   MET  22          2HB       MET  22  -1.245   5.891  -5.602
  147   1HG   MET  22          1HG       MET  22   1.403   6.607  -6.863
  148   2HG   MET  22          2HG       MET  22   0.447   7.780  -5.942
  149   1HE   MET  22          1HE       MET  22   1.228   7.271  -2.485
  150   2HE   MET  22          2HE       MET  22   2.294   8.061  -3.647
  151   3HE   MET  22          3HE       MET  22   0.543   8.195  -3.823
  152    H    SER  23           H        SER  23   1.928   4.127  -6.338
  153    HA   SER  23           HA       SER  23   3.045   3.460  -8.877
  154   1HB   SER  23          1HB       SER  23   3.856   6.023  -7.494
  155   2HB   SER  23          2HB       SER  23   4.933   5.175  -8.630
  156    HG   SER  23           HG       SER  23   2.382   5.521  -9.606
  157    H    GLY  24           H        GLY  24   4.606   4.835  -6.047
  158   1HA   GLY  24          1HA       GLY  24   4.961   2.708  -4.414
  159   2HA   GLY  24          2HA       GLY  24   6.153   2.423  -5.671
  160    HA   PRO  25           HA       PRO  25   7.540   5.889  -2.634
  161   1HB   PRO  25          1HB       PRO  25   7.828   4.146  -0.290
  162   2HB   PRO  25          2HB       PRO  25   6.916   5.679  -0.479
  163   1HG   PRO  25          1HG       PRO  25   5.748   3.250  -0.144
  164   2HG   PRO  25          2HG       PRO  25   4.950   4.647  -0.938
  165   1HD   PRO  25          1HD       PRO  25   6.264   2.200  -2.120
  166   2HD   PRO  25          2HD       PRO  25   4.815   3.098  -2.666
  167    H    ALA  26           H        ALA  26   9.308   5.552  -4.053
  168    HA   ALA  26           HA       ALA  26  11.100   3.366  -3.825
  169   1HB   ALA  26          1HB       ALA  26  11.403   6.079  -5.093
  170   2HB   ALA  26          2HB       ALA  26  12.597   4.788  -5.227
  171   3HB   ALA  26          3HB       ALA  26  10.978   4.563  -5.886
  172    H    GLY  27           H        GLY  27  11.603   6.801  -3.006
  173   1HA   GLY  27          1HA       GLY  27  12.415   7.262  -0.700
  174   2HA   GLY  27          2HA       GLY  27  13.511   5.904  -0.933
  175    H    SER  28           H        SER  28  15.408   7.041  -0.697
  176    HA   SER  28           HA       SER  28  15.948   9.428  -2.190
  177   1HB   SER  28          1HB       SER  28  18.013   7.605  -0.937
  178   2HB   SER  28          2HB       SER  28  18.109   9.362  -1.203
  179    HG   SER  28           HG       SER  28  16.419   9.603   0.342
  180    HA   PRO  29           HA       PRO  29  16.567   7.309  -6.085
  181   1HB   PRO  29          1HB       PRO  29  17.871   9.912  -6.794
  182   2HB   PRO  29          2HB       PRO  29  16.529   9.018  -7.581
  183   1HG   PRO  29          1HG       PRO  29  16.096  11.214  -6.147
  184   2HG   PRO  29          2HG       PRO  29  14.914   9.866  -6.194
  185   1HD   PRO  29          1HD       PRO  29  16.871  10.693  -4.059
  186   2HD   PRO  29          2HD       PRO  29  15.243   9.966  -3.901
  187    H    GLY  30           H        GLY  30  18.173   6.094  -6.851
  188   1HA   GLY  30          1HA       GLY  30  20.936   6.905  -6.677
  189   2HA   GLY  30          2HA       GLY  30  20.515   5.569  -5.609
  190    H    LEU  31           H        LEU  31  21.528   3.882  -6.578
  191    HA   LEU  31           HA       LEU  31  21.352   3.532  -9.454
  192   1HB   LEU  31          1HB       LEU  31  23.178   2.777  -7.450
  193   2HB   LEU  31          2HB       LEU  31  22.468   1.262  -8.058
  194    HG   LEU  31           HG       LEU  31  23.412   3.233 -10.078
  195   1HD1  LEU  31          1HD1      LEU  31  25.632   1.646  -9.530
  196   2HD1  LEU  31          2HD1      LEU  31  25.470   3.381  -9.264
  197   3HD1  LEU  31          3HD1      LEU  31  25.100   2.251  -7.962
  198   1HD2  LEU  31          1HD2      LEU  31  22.345   1.054 -10.629
  199   2HD2  LEU  31          2HD2      LEU  31  23.970   1.243 -11.288
  200   3HD2  LEU  31          3HD2      LEU  31  23.710   0.242  -9.859
  201    H    LEU  32           H        LEU  32  18.936   3.390  -9.207
  202    HA   LEU  32           HA       LEU  32  18.075   0.676  -8.447
  203   1HB   LEU  32          1HB       LEU  32  16.564   3.283  -8.659
  204   2HB   LEU  32          2HB       LEU  32  15.756   1.705  -8.498
  205    HG   LEU  32           HG       LEU  32  17.733   1.994  -6.432
  206   1HD1  LEU  32          1HD1      LEU  32  17.398   4.018  -5.532
  207   2HD1  LEU  32          2HD1      LEU  32  16.823   4.474  -7.134
  208   3HD1  LEU  32          3HD1      LEU  32  15.672   3.994  -5.885
  209   1HD2  LEU  32          1HD2      LEU  32  15.789   0.499  -6.410
  210   2HD2  LEU  32          2HD2      LEU  32  15.819   1.564  -5.005
  211   3HD2  LEU  32          3HD2      LEU  32  14.722   1.901  -6.346
  212    H    ASN  33           H        ASN  33  16.642  -0.455  -9.844
  213    HA   ASN  33           HA       ASN  33  17.086   0.081 -12.650
  214   1HB   ASN  33          1HB       ASN  33  17.013  -2.238 -11.454
  215   2HB   ASN  33          2HB       ASN  33  15.250  -2.060 -11.590
  216   1HD2  ASN  33          1HD2      ASN  33  17.367  -3.841 -12.884
  217   2HD2  ASN  33          2HD2      ASN  33  16.970  -3.773 -14.575
  218    H    LEU  34           H        LEU  34  15.556   0.694 -14.129
  219    HA   LEU  34           HA       LEU  34  13.355   2.230 -13.139
  220   1HB   LEU  34          1HB       LEU  34  13.881   1.474 -16.014
  221   2HB   LEU  34          2HB       LEU  34  13.007   2.896 -15.394
  222    HG   LEU  34           HG       LEU  34  15.826   2.690 -14.547
  223   1HD1  LEU  34          1HD1      LEU  34  15.372   3.594 -17.354
  224   2HD1  LEU  34          2HD1      LEU  34  16.856   3.054 -16.567
  225   3HD1  LEU  34          3HD1      LEU  34  15.620   1.880 -17.022
  226   1HD2  LEU  34          1HD2      LEU  34  15.761   5.082 -15.050
  227   2HD2  LEU  34          2HD2      LEU  34  14.155   4.895 -15.752
  228   3HD2  LEU  34          3HD2      LEU  34  14.400   4.611 -14.030
  229    H    ILE  35           H        ILE  35  13.819  -0.992 -14.112
  230    HA   ILE  35           HA       ILE  35  10.907  -1.430 -14.291
  231    HB   ILE  35           HB       ILE  35  12.996  -3.374 -15.274
  232   1HG1  ILE  35          1HG1      ILE  35  11.769  -2.122 -17.491
  233   2HG1  ILE  35          2HG1      ILE  35  12.308  -0.816 -16.409
  234   1HG2  ILE  35          1HG2      ILE  35  10.372  -3.213 -16.574
  235   2HG2  ILE  35          2HG2      ILE  35  11.288  -4.617 -16.029
  236   3HG2  ILE  35          3HG2      ILE  35  10.327  -3.691 -14.878
  237   1HD1  ILE  35          1HD1      ILE  35  14.513  -1.300 -16.710
  238   2HD1  ILE  35          2HD1      ILE  35  14.220  -3.018 -16.990
  239   3HD1  ILE  35          3HD1      ILE  35  13.888  -1.848 -18.268
  240    HA   PRO  36           HA       PRO  36  11.301  -3.507 -10.334
  241   1HB   PRO  36          1HB       PRO  36   8.894  -5.017 -11.281
  242   2HB   PRO  36          2HB       PRO  36   9.150  -4.026  -9.807
  243   1HG   PRO  36          1HG       PRO  36   7.666  -3.166 -11.846
  244   2HG   PRO  36          2HG       PRO  36   8.635  -2.045 -10.834
  245   1HD   PRO  36          1HD       PRO  36   9.117  -3.100 -13.614
  246   2HD   PRO  36          2HD       PRO  36   9.528  -1.509 -12.905
  247    H    VAL  37           H        VAL  37  12.651  -5.143  -9.926
  248    HA   VAL  37           HA       VAL  37  12.843  -7.300 -11.915
  249    HB   VAL  37           HB       VAL  37  14.944  -6.609  -9.863
  250   1HG1  VAL  37          1HG1      VAL  37  14.851  -8.883 -11.023
  251   2HG1  VAL  37          2HG1      VAL  37  15.311  -8.017 -12.488
  252   3HG1  VAL  37          3HG1      VAL  37  16.376  -7.999 -11.084
  253   1HG2  VAL  37          1HG2      VAL  37  16.104  -5.617 -11.958
  254   2HG2  VAL  37          2HG2      VAL  37  14.465  -5.473 -12.592
  255   3HG2  VAL  37          3HG2      VAL  37  14.910  -4.644 -11.099
  256    H    ASP  38           H        ASP  38  11.874  -9.080 -11.355
  257    HA   ASP  38           HA       ASP  38  12.602 -10.461  -8.953
  258   1HB   ASP  38          1HB       ASP  38  10.630  -8.985  -8.269
  259   2HB   ASP  38          2HB       ASP  38   9.646  -9.938  -9.402
  260    H    LEU  39           H        LEU  39  11.630 -12.728  -9.022
  261    HA   LEU  39           HA       LEU  39  11.662 -13.705 -11.732
  262   1HB   LEU  39          1HB       LEU  39  11.304 -15.005  -9.033
  263   2HB   LEU  39          2HB       LEU  39  11.086 -15.916 -10.547
  264    HG   LEU  39           HG       LEU  39  13.631 -14.410 -10.191
  265   1HD1  LEU  39          1HD1      LEU  39  12.689 -16.372  -8.298
  266   2HD1  LEU  39          2HD1      LEU  39  14.134 -16.938  -9.135
  267   3HD1  LEU  39          3HD1      LEU  39  14.160 -15.399  -8.273
  268   1HD2  LEU  39          1HD2      LEU  39  12.697 -16.931 -11.513
  269   2HD2  LEU  39          2HD2      LEU  39  13.481 -15.521 -12.226
  270   3HD2  LEU  39          3HD2      LEU  39  14.413 -16.635 -11.225
  271    H    SER  40           H        SER  40   9.358 -12.625  -9.484
  272    HA   SER  40           HA       SER  40   7.178 -13.525 -11.244
  273   1HB   SER  40          1HB       SER  40   6.127 -12.894  -8.685
  274   2HB   SER  40          2HB       SER  40   6.225 -14.494  -9.459
  275    HG   SER  40           HG       SER  40   8.328 -13.272  -7.941
  276    H    ALA  41           H        ALA  41   7.240 -11.271  -8.510
  277    HA   ALA  41           HA       ALA  41   7.136  -8.921 -10.134
  278   1HB   ALA  41          1HB       ALA  41   4.900  -8.244  -9.814
  279   2HB   ALA  41          2HB       ALA  41   4.801  -9.919 -10.356
  280   3HB   ALA  41          3HB       ALA  41   4.590  -9.530  -8.647
  281    H    SER  42           H        SER  42   7.795  -7.214  -8.944
  282    HA   SER  42           HA       SER  42   8.558  -7.698  -6.221
  283   1HB   SER  42          1HB       SER  42   8.758  -4.957  -7.330
  284   2HB   SER  42          2HB       SER  42   9.984  -5.948  -6.504
  285    HG   SER  42           HG       SER  42  10.654  -6.663  -8.377
  286    H    LEU  43           H        LEU  43   6.877  -7.700  -4.795
  287    HA   LEU  43           HA       LEU  43   5.196  -5.281  -4.738
  288   1HB   LEU  43          1HB       LEU  43   4.601  -8.110  -4.386
  289   2HB   LEU  43          2HB       LEU  43   4.032  -7.127  -3.016
  290    HG   LEU  43           HG       LEU  43   2.434  -7.573  -5.014
  291   1HD1  LEU  43          1HD1      LEU  43   2.840  -5.279  -3.294
  292   2HD1  LEU  43          2HD1      LEU  43   2.018  -4.842  -4.792
  293   3HD1  LEU  43          3HD1      LEU  43   1.346  -6.099  -3.753
  294   1HD2  LEU  43          1HD2      LEU  43   3.170  -6.903  -7.007
  295   2HD2  LEU  43          2HD2      LEU  43   2.978  -5.243  -6.442
  296   3HD2  LEU  43          3HD2      LEU  43   4.542  -6.051  -6.290
  297    H    GLY  44           H        GLY  44   5.625  -3.884  -3.193
  298   1HA   GLY  44          1HA       GLY  44   7.180  -4.841  -0.866
  299   2HA   GLY  44          2HA       GLY  44   7.334  -3.236  -1.575
  300    H    CYS  45           H        CYS  45   5.347  -5.333   0.384
  301    HA   CYS  45           HA       CYS  45   4.060  -2.966   1.515
  302   1HB   CYS  45          1HB       CYS  45   2.468  -5.471   1.048
  303   2HB   CYS  45          2HB       CYS  45   1.885  -3.836   1.401
  304    H    VAL  46           H        VAL  46   2.845  -3.593   3.573
  305    HA   VAL  46           HA       VAL  46   4.329  -5.709   4.990
  306    HB   VAL  46           HB       VAL  46   3.633  -4.284   7.074
  307   1HG1  VAL  46          1HG1      VAL  46   5.781  -3.242   7.076
  308   2HG1  VAL  46          2HG1      VAL  46   5.941  -4.791   6.247
  309   3HG1  VAL  46          3HG1      VAL  46   5.871  -3.293   5.317
  310   1HG2  VAL  46          1HG2      VAL  46   2.276  -2.672   5.797
  311   2HG2  VAL  46          2HG2      VAL  46   3.591  -1.886   6.669
  312   3HG2  VAL  46          3HG2      VAL  46   3.721  -2.155   4.932
  313    H    VAL  47           H        VAL  47   3.127  -6.836   6.648
  314    HA   VAL  47           HA       VAL  47   0.562  -7.591   5.753
  315    HB   VAL  47           HB       VAL  47   0.458  -8.735   8.094
  316   1HG1  VAL  47          1HG1      VAL  47   2.259  -9.399   5.800
  317   2HG1  VAL  47          2HG1      VAL  47   2.181 -10.457   7.211
  318   3HG1  VAL  47          3HG1      VAL  47   0.726 -10.132   6.271
  319   1HG2  VAL  47          1HG2      VAL  47   2.336  -7.311   8.988
  320   2HG2  VAL  47          2HG2      VAL  47   2.521  -9.049   9.222
  321   3HG2  VAL  47          3HG2      VAL  47   3.423  -8.231   7.946
  322    H    GLY  48           H        GLY  48  -1.404  -7.015   6.325
  323   1HA   GLY  48          1HA       GLY  48  -1.717  -4.563   7.801
  324   2HA   GLY  48          2HA       GLY  48  -2.981  -5.471   6.981
  325    H    VAL  49           H        VAL  49  -1.516  -4.735   9.948
  326    HA   VAL  49           HA       VAL  49  -2.440  -6.922  11.502
  327    HB   VAL  49           HB       VAL  49  -2.108  -4.120  12.553
  328   1HG1  VAL  49          1HG1      VAL  49  -1.036  -5.670  14.422
  329   2HG1  VAL  49          2HG1      VAL  49  -2.768  -5.343  14.342
  330   3HG1  VAL  49          3HG1      VAL  49  -2.124  -6.854  13.696
  331   1HG2  VAL  49          1HG2      VAL  49  -0.185  -4.864  11.041
  332   2HG2  VAL  49          2HG2      VAL  49   0.219  -4.317  12.668
  333   3HG2  VAL  49          3HG2      VAL  49   0.184  -6.041  12.301
  334    H    ILE  50           H        ILE  50  -4.431  -7.324  12.338
  335    HA   ILE  50           HA       ILE  50  -6.628  -5.834  11.330
  336    HB   ILE  50           HB       ILE  50  -8.067  -7.349  12.524
  337   1HG1  ILE  50          1HG1      ILE  50  -5.798  -8.815  13.795
  338   2HG1  ILE  50          2HG1      ILE  50  -6.363  -7.319  14.576
  339   1HG2  ILE  50          1HG2      ILE  50  -5.742  -8.392  11.033
  340   2HG2  ILE  50          2HG2      ILE  50  -6.739  -9.575  11.879
  341   3HG2  ILE  50          3HG2      ILE  50  -7.466  -8.505  10.683
  342   1HD1  ILE  50          1HD1      ILE  50  -8.417  -8.224  15.105
  343   2HD1  ILE  50          2HD1      ILE  50  -8.352  -9.417  13.807
  344   3HD1  ILE  50          3HD1      ILE  50  -7.369  -9.636  15.254
  345    H    GLY  51           H        GLY  51  -7.619  -4.134  12.120
  346   1HA   GLY  51          1HA       GLY  51  -8.514  -2.761  13.840
  347   2HA   GLY  51          2HA       GLY  51  -7.380  -3.483  14.976
  348    H    SER  52           H        SER  52  -5.413  -3.044  12.535
  349    HA   SER  52           HA       SER  52  -4.476  -0.480  13.525
  350   1HB   SER  52          1HB       SER  52  -3.276  -2.506  11.618
  351   2HB   SER  52          2HB       SER  52  -2.500  -0.957  12.029
  352    HG   SER  52           HG       SER  52  -3.350  -2.618  14.134
  353    H    GLN  53           H        GLN  53  -3.904   1.261  12.093
  354    HA   GLN  53           HA       GLN  53  -5.705   1.380   9.768
  355   1HB   GLN  53          1HB       GLN  53  -4.495   3.704  11.280
  356   2HB   GLN  53          2HB       GLN  53  -5.770   3.769  10.039
  357   1HG   GLN  53          1HG       GLN  53  -7.396   3.001  11.471
  358   2HG   GLN  53          2HG       GLN  53  -6.232   2.164  12.521
  359   1HE2  GLN  53          1HE2      GLN  53  -5.801   3.102  14.384
  360   2HE2  GLN  53          2HE2      GLN  53  -6.014   4.783  14.763
  361    H    CYS  54           H        CYS  54  -4.785   1.323   7.838
  362    HA   CYS  54           HA       CYS  54  -2.015   2.292   7.590
  363   1HB   CYS  54          1HB       CYS  54  -3.320  -0.135   6.639
  364   2HB   CYS  54          2HB       CYS  54  -2.585   0.774   5.308
  365    H    GLY  55           H        GLY  55  -1.906   4.204   6.618
  366   1HA   GLY  55          1HA       GLY  55  -4.112   5.253   5.082
  367   2HA   GLY  55          2HA       GLY  55  -2.578   6.055   5.391
  368    H    ALA  56           H        ALA  56  -3.633   3.118   3.702
  369    HA   ALA  56           HA       ALA  56  -2.646   4.048   1.171
  370   1HB   ALA  56          1HB       ALA  56  -0.715   2.981   2.754
  371   2HB   ALA  56          2HB       ALA  56  -1.286   1.545   1.905
  372   3HB   ALA  56          3HB       ALA  56  -0.695   2.932   0.991
  373    H    SER  57           H        SER  57  -2.605   1.900  -0.339
  374    HA   SER  57           HA       SER  57  -5.312   0.942  -0.197
  375   1HB   SER  57          1HB       SER  57  -3.810  -0.390  -2.235
  376   2HB   SER  57          2HB       SER  57  -5.057   0.868  -2.417
  377    HG   SER  57           HG       SER  57  -3.508   2.183  -2.962
  378    H    VAL  58           H        VAL  58  -5.984  -0.948   0.596
  379    HA   VAL  58           HA       VAL  58  -3.943  -2.826   1.541
  380    HB   VAL  58           HB       VAL  58  -6.884  -2.883   2.206
  381   1HG1  VAL  58          1HG1      VAL  58  -4.612  -4.554   2.855
  382   2HG1  VAL  58          2HG1      VAL  58  -5.377  -3.911   4.310
  383   3HG1  VAL  58          3HG1      VAL  58  -6.332  -4.827   3.143
  384   1HG2  VAL  58          1HG2      VAL  58  -5.539  -1.963   4.444
  385   2HG2  VAL  58          2HG2      VAL  58  -4.824  -1.057   3.112
  386   3HG2  VAL  58          3HG2      VAL  58  -6.567  -1.011   3.373
  387    H    LYS  59           H        LYS  59  -3.620  -4.692   0.592
  388    HA   LYS  59           HA       LYS  59  -5.707  -5.800  -1.165
  389   1HB   LYS  59          1HB       LYS  59  -3.696  -6.800  -2.446
  390   2HB   LYS  59          2HB       LYS  59  -4.097  -5.086  -2.706
  391   1HG   LYS  59          1HG       LYS  59  -2.329  -4.480  -1.052
  392   2HG   LYS  59          2HG       LYS  59  -1.879  -6.200  -0.966
  393   1HD   LYS  59          1HD       LYS  59  -0.385  -5.143  -2.510
  394   2HD   LYS  59          2HD       LYS  59  -1.517  -6.137  -3.458
  395   1HE   LYS  59          1HE       LYS  59  -1.899  -4.306  -4.688
  396   2HE   LYS  59          2HE       LYS  59  -2.789  -3.672  -3.287
  397   1HZ   LYS  59          1HZ       LYS  59  -0.123  -2.973  -4.275
  398   2HZ   LYS  59          2HZ       LYS  59  -0.331  -2.999  -2.597
  399   3HZ   LYS  59          3HZ       LYS  59  -1.309  -2.001  -3.553
  400    H    CYS  60           H        CYS  60  -5.278  -8.209  -1.553
  401    HA   CYS  60           HA       CYS  60  -4.300  -9.409   0.957
  402   1HB   CYS  60          1HB       CYS  60  -6.742  -9.960  -0.680
  403   2HB   CYS  60          2HB       CYS  60  -5.961 -11.323   0.138
  404    H    CYS  61           H        CYS  61  -2.651 -10.780   0.749
  405    HA   CYS  61           HA       CYS  61  -2.172 -11.936  -1.914
  406   1HB   CYS  61          1HB       CYS  61  -0.253 -10.455  -0.133
  407   2HB   CYS  61          2HB       CYS  61   0.324 -11.629  -1.328
  408    H    LYS  62           H        LYS  62  -1.665 -13.997  -1.974
  409    HA   LYS  62           HA       LYS  62  -0.992 -15.380   0.534
  410   1HB   LYS  62          1HB       LYS  62  -3.140 -16.033  -0.645
  411   2HB   LYS  62          2HB       LYS  62  -2.125 -16.618  -1.985
  412   1HG   LYS  62          1HG       LYS  62  -1.089 -18.259  -0.532
  413   2HG   LYS  62          2HG       LYS  62  -1.992 -17.631   0.867
  414   1HD   LYS  62          1HD       LYS  62  -3.980 -18.548   0.175
  415   2HD   LYS  62          2HD       LYS  62  -3.541 -18.470  -1.548
  416   1HE   LYS  62          1HE       LYS  62  -2.808 -20.577  -1.520
  417   2HE   LYS  62          2HE       LYS  62  -1.749 -20.243  -0.133
  418   1HZ   LYS  62          1HZ       LYS  62  -3.511 -21.990   0.207
  419   2HZ   LYS  62          2HZ       LYS  62  -4.665 -20.750   0.158
  420   3HZ   LYS  62          3HZ       LYS  62  -3.472 -20.752   1.367
  421    H    ASP  63           H        ASP  63   1.024 -15.975   0.680
  422    HA   ASP  63           HA       ASP  63   2.537 -17.207  -1.350
  423   1HB   ASP  63          1HB       ASP  63   3.941 -15.557  -2.156
  424   2HB   ASP  63          2HB       ASP  63   2.420 -14.651  -2.003
  425    H    ASP  64           H        ASP  64   4.827 -17.504  -0.621
  426    HA   ASP  64           HA       ASP  64   4.878 -17.576   2.315
  427   1HB   ASP  64          1HB       ASP  64   6.572 -19.438   1.982
  428   2HB   ASP  64          2HB       ASP  64   4.897 -19.803   1.514
  429    H    VAL  65           H        VAL  65   6.092 -16.058   3.145
  430    HA   VAL  65           HA       VAL  65   8.365 -14.998   1.633
  431    HB   VAL  65           HB       VAL  65   7.507 -13.890   4.272
  432   1HG1  VAL  65          1HG1      VAL  65   8.691 -12.079   3.675
  433   2HG1  VAL  65          2HG1      VAL  65   9.442 -13.178   2.521
  434   3HG1  VAL  65          3HG1      VAL  65   8.123 -12.127   2.005
  435   1HG2  VAL  65          1HG2      VAL  65   6.179 -12.784   1.859
  436   2HG2  VAL  65          2HG2      VAL  65   5.544 -14.294   2.516
  437   3HG2  VAL  65          3HG2      VAL  65   5.618 -12.855   3.531
  438    H    THR  66           H        THR  66  10.449 -14.996   2.433
  439    HA   THR  66           HA       THR  66  10.951 -16.720   4.729
  440    HB   THR  66           HB       THR  66  13.331 -15.534   3.588
  441    HG1  THR  66           1HG      THR  66  13.074 -16.026   1.503
  442   1HG2  THR  66          1HG2      THR  66  13.992 -17.514   4.364
  443   2HG2  THR  66          2HG2      THR  66  13.143 -18.279   3.018
  444   3HG2  THR  66          3HG2      THR  66  12.315 -18.031   4.557
  445    H    ASN  67           H        ASN  67  11.870 -16.038   6.626
  446    HA   ASN  67           HA       ASN  67  11.281 -13.302   7.289
  447   1HB   ASN  67          1HB       ASN  67  10.766 -15.271   8.768
  448   2HB   ASN  67          2HB       ASN  67  12.514 -15.449   9.033
  449   1HD2  ASN  67          1HD2      ASN  67  12.280 -15.114  11.237
  450   2HD2  ASN  67          2HD2      ASN  67  11.958 -13.546  11.909
  451    H    THR  68           H        THR  68  14.079 -15.235   6.731
  452    HA   THR  68           HA       THR  68  15.916 -13.174   7.619
  453    HB   THR  68           HB       THR  68  17.369 -15.104   6.218
  454    HG1  THR  68           1HG      THR  68  15.898 -16.675   6.118
  455   1HG2  THR  68          1HG2      THR  68  17.984 -15.873   8.513
  456   2HG2  THR  68          2HG2      THR  68  16.721 -14.817   9.147
  457   3HG2  THR  68          3HG2      THR  68  18.093 -14.127   8.280
  458    H    GLY  69           H        GLY  69  14.026 -13.393   5.051
  459   1HA   GLY  69          1HA       GLY  69  15.815 -13.122   2.847
  460   2HA   GLY  69          2HA       GLY  69  14.089 -12.799   2.829
  461    H    ASN  70           H        ASN  70  13.409 -10.704   3.825
  462    HA   ASN  70           HA       ASN  70  15.430  -8.635   3.254
  463   1HB   ASN  70          1HB       ASN  70  13.263  -9.060   1.717
  464   2HB   ASN  70          2HB       ASN  70  12.531  -7.999   2.940
  465   1HD2  ASN  70          1HD2      ASN  70  14.313  -8.119   0.083
  466   2HD2  ASN  70          2HD2      ASN  70  14.808  -6.461   0.022
  467    H    SER  71           H        SER  71  14.447  -6.412   4.192
  468    HA   SER  71           HA       SER  71  14.311  -6.838   7.051
  469   1HB   SER  71          1HB       SER  71  13.953  -4.100   6.474
  470   2HB   SER  71          2HB       SER  71  15.457  -4.913   6.971
  471    HG   SER  71           HG       SER  71  16.002  -5.206   4.828
  472    H    PHE  72           H        PHE  72  12.073  -7.117   4.818
  473    HA   PHE  72           HA       PHE  72   9.920  -6.657   6.660
  474   1HB   PHE  72          1HB       PHE  72   8.639  -5.123   5.418
  475   2HB   PHE  72          2HB       PHE  72  10.276  -4.446   5.384
  476    HD1  PHE  72           1HD      PHE  72  11.722  -5.216   3.286
  477    HD2  PHE  72           2HD      PHE  72   7.470  -5.226   3.451
  478    HE1  PHE  72           1HE      PHE  72  11.630  -5.132   0.830
  479    HE2  PHE  72           2HE      PHE  72   7.370  -5.146   0.997
  480    HZ   PHE  72           HZ       PHE  72   9.452  -5.098  -0.320
  481    H    LEU  73           H        LEU  73   7.813  -7.449   5.564
  482    HA   LEU  73           HA       LEU  73   8.427  -9.977   4.340
  483   1HB   LEU  73          1HB       LEU  73   5.620  -8.993   4.484
  484   2HB   LEU  73          2HB       LEU  73   6.281 -10.611   4.819
  485    HG   LEU  73           HG       LEU  73   7.344  -9.137   6.863
  486   1HD1  LEU  73          1HD1      LEU  73   6.252  -7.211   7.065
  487   2HD1  LEU  73          2HD1      LEU  73   5.078  -7.666   5.831
  488   3HD1  LEU  73          3HD1      LEU  73   4.833  -8.158   7.507
  489   1HD2  LEU  73          1HD2      LEU  73   4.950 -10.068   7.885
  490   2HD2  LEU  73          2HD2      LEU  73   5.233 -11.095   6.482
  491   3HD2  LEU  73          3HD2      LEU  73   6.453 -10.981   7.749
  492    H    ILE  74           H        ILE  74   9.269  -9.505   2.328
  493    HA   ILE  74           HA       ILE  74   7.846  -7.888   0.442
  494    HB   ILE  74           HB       ILE  74  10.281  -8.118   0.281
  495   1HG1  ILE  74          1HG1      ILE  74   9.694  -9.477  -2.218
  496   2HG1  ILE  74          2HG1      ILE  74   8.444  -8.276  -1.815
  497   1HG2  ILE  74          1HG2      ILE  74  10.559 -10.665  -0.935
  498   2HG2  ILE  74          2HG2      ILE  74  11.304 -10.060   0.544
  499   3HG2  ILE  74          3HG2      ILE  74   9.742 -10.878   0.612
  500   1HD1  ILE  74          1HD1      ILE  74  11.398  -7.672  -1.853
  501   2HD1  ILE  74          2HD1      ILE  74  10.320  -7.418  -3.226
  502   3HD1  ILE  74          3HD1      ILE  74  10.064  -6.525  -1.728
  503    H    ILE  75           H        ILE  75   6.449  -8.547  -1.148
  504    HA   ILE  75           HA       ILE  75   5.286 -11.172  -0.656
  505    HB   ILE  75           HB       ILE  75   4.104  -9.225  -2.592
  506   1HG1  ILE  75          1HG1      ILE  75   3.672  -9.071   0.399
  507   2HG1  ILE  75          2HG1      ILE  75   4.761  -7.982  -0.493
  508   1HG2  ILE  75          1HG2      ILE  75   3.310 -11.626  -1.181
  509   2HG2  ILE  75          2HG2      ILE  75   2.150 -10.313  -0.958
  510   3HG2  ILE  75          3HG2      ILE  75   2.577 -10.847  -2.584
  511   1HD1  ILE  75          1HD1      ILE  75   2.584  -7.583  -1.946
  512   2HD1  ILE  75          2HD1      ILE  75   1.785  -8.098  -0.458
  513   3HD1  ILE  75          3HD1      ILE  75   2.867  -6.706  -0.443
  514    H    ASN  76           H        ASN  76   5.516 -12.826  -1.938
  515    HA   ASN  76           HA       ASN  76   7.160 -12.827  -4.231
  516   1HB   ASN  76          1HB       ASN  76   5.329 -14.763  -2.891
  517   2HB   ASN  76          2HB       ASN  76   5.754 -15.094  -4.584
  518   1HD2  ASN  76          1HD2      ASN  76   6.872 -14.933  -1.325
  519   2HD2  ASN  76          2HD2      ASN  76   8.434 -15.638  -1.600
  520    H    ALA  77           H        ALA  77   3.881 -12.026  -3.758
  521    HA   ALA  77           HA       ALA  77   2.172 -11.400  -5.101
  522   1HB   ALA  77          1HB       ALA  77   3.973  -9.947  -6.046
  523   2HB   ALA  77          2HB       ALA  77   4.209 -11.159  -7.305
  524   3HB   ALA  77          3HB       ALA  77   2.663 -10.321  -7.165
  525    H    ALA  78           H        ALA  78   3.041 -14.223  -4.936
  526    HA   ALA  78           HA       ALA  78   2.567 -15.498  -7.410
  527   1HB   ALA  78          1HB       ALA  78   1.914 -16.807  -4.804
  528   2HB   ALA  78          2HB       ALA  78   2.652 -17.494  -6.251
  529   3HB   ALA  78          3HB       ALA  78   3.589 -16.426  -5.206
  530    H    ASN  79           H        ASN  79   0.461 -15.133  -4.560
  531    HA   ASN  79           HA       ASN  79  -1.855 -15.189  -6.389
  532   1HB   ASN  79          1HB       ASN  79  -1.968 -16.129  -3.519
  533   2HB   ASN  79          2HB       ASN  79  -3.141 -16.417  -4.822
  534   1HD2  ASN  79          1HD2      ASN  79  -0.074 -17.341  -3.454
  535   2HD2  ASN  79          2HD2      ASN  79   0.091 -18.829  -4.332
  536    H    CYS  80           H        CYS  80  -1.774 -12.868  -6.456
  537    HA   CYS  80           HA       CYS  80  -2.528 -11.609  -3.897
  538   1HB   CYS  80          1HB       CYS  80  -0.902 -10.601  -6.220
  539   2HB   CYS  80          2HB       CYS  80  -1.706  -9.469  -5.121
  540    H    VAL  81           H        VAL  81  -4.386 -10.508  -3.771
  541    HA   VAL  81           HA       VAL  81  -5.827  -9.934  -6.281
  542    HB   VAL  81           HB       VAL  81  -7.829 -10.004  -4.421
  543   1HG1  VAL  81          1HG1      VAL  81  -6.856 -11.767  -6.559
  544   2HG1  VAL  81          2HG1      VAL  81  -7.981 -12.510  -5.423
  545   3HG1  VAL  81          3HG1      VAL  81  -8.451 -11.057  -6.306
  546   1HG2  VAL  81          1HG2      VAL  81  -6.164 -10.985  -2.791
  547   2HG2  VAL  81          2HG2      VAL  81  -7.649 -11.905  -3.032
  548   3HG2  VAL  81          3HG2      VAL  81  -6.154 -12.427  -3.809
  549    H    ALA  82           H        ALA  82  -6.446  -7.880  -6.554
  550    HA   ALA  82           HA       ALA  82  -6.364  -6.078  -4.233
  551   1HB   ALA  82          1HB       ALA  82  -4.279  -5.897  -5.597
  552   2HB   ALA  82          2HB       ALA  82  -5.271  -5.374  -6.956
  553   3HB   ALA  82          3HB       ALA  82  -5.202  -4.400  -5.486
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -10.303   6.675   5.888
    2   2H    ALA   1          2H        ALA   1  -9.443   7.113   4.491
    3   3H    ALA   1          3H        ALA   1  -9.165   7.931   5.949
    4    HA   ALA   1           HA       ALA   1  -7.456   6.230   5.255
    5   1HB   ALA   1          1HB       ALA   1  -6.951   5.711   7.479
    6   2HB   ALA   1          2HB       ALA   1  -7.875   7.211   7.590
    7   3HB   ALA   1          3HB       ALA   1  -8.650   5.667   7.950
    8    H    THR   2           H        THR   2  -6.925   3.984   5.320
    9    HA   THR   2           HA       THR   2  -9.266   2.265   4.876
   10    HB   THR   2           HB       THR   2  -6.906   0.942   4.041
   11    HG1  THR   2           1HG      THR   2  -5.913   2.443   2.722
   12   1HG2  THR   2          1HG2      THR   2  -9.464   1.537   3.084
   13   2HG2  THR   2          2HG2      THR   2  -8.267   0.488   2.328
   14   3HG2  THR   2          3HG2      THR   2  -8.358   2.190   1.878
   15    H    THR   3           H        THR   3  -9.755   1.320   6.796
   16    HA   THR   3           HA       THR   3  -7.717   0.490   8.648
   17    HB   THR   3           HB       THR   3 -10.472  -0.570   8.932
   18    HG1  THR   3           1HG      THR   3 -11.438   1.326   9.037
   19   1HG2  THR   3          1HG2      THR   3 -10.098   0.357  11.260
   20   2HG2  THR   3          2HG2      THR   3  -8.459   0.757  10.743
   21   3HG2  THR   3          3HG2      THR   3  -8.995  -0.924  10.761
   22    H    ILE   4           H        ILE   4  -6.905  -1.521   8.960
   23    HA   ILE   4           HA       ILE   4  -7.872  -3.648   7.161
   24    HB   ILE   4           HB       ILE   4  -5.208  -3.720   8.561
   25   1HG1  ILE   4          1HG1      ILE   4  -5.731  -2.561   5.809
   26   2HG1  ILE   4          2HG1      ILE   4  -5.388  -1.593   7.263
   27   1HG2  ILE   4          1HG2      ILE   4  -6.295  -5.007   6.061
   28   2HG2  ILE   4          2HG2      ILE   4  -4.640  -5.178   6.646
   29   3HG2  ILE   4          3HG2      ILE   4  -5.984  -5.794   7.607
   30   1HD1  ILE   4          1HD1      ILE   4  -3.213  -1.788   6.863
   31   2HD1  ILE   4          2HD1      ILE   4  -3.333  -3.543   7.002
   32   3HD1  ILE   4          3HD1      ILE   4  -3.549  -2.765   5.433
   33    H    GLY   5           H        GLY   5  -8.543  -5.569   8.023
   34   1HA   GLY   5          1HA       GLY   5  -8.086  -6.107  10.851
   35   2HA   GLY   5          2HA       GLY   5  -9.755  -5.825  10.374
   36    HA   PRO   6           HA       PRO   6  -8.777 -10.314   9.760
   37   1HB   PRO   6          1HB       PRO   6 -10.671 -11.361  11.406
   38   2HB   PRO   6          2HB       PRO   6  -9.088 -10.761  12.000
   39   1HG   PRO   6          1HG       PRO   6 -11.732  -9.391  12.028
   40   2HG   PRO   6          2HG       PRO   6 -10.516  -9.513  13.341
   41   1HD   PRO   6          1HD       PRO   6 -10.819  -7.320  11.700
   42   2HD   PRO   6          2HD       PRO   6  -9.253  -7.795  12.426
   43    H    ASN   7           H        ASN   7 -11.542  -8.289   9.426
   44    HA   ASN   7           HA       ASN   7 -12.996 -10.373   7.952
   45   1HB   ASN   7          1HB       ASN   7 -13.797  -8.186   9.690
   46   2HB   ASN   7          2HB       ASN   7 -14.659  -8.142   8.136
   47   1HD2  ASN   7          1HD2      ASN   7 -13.855 -10.240  10.866
   48   2HD2  ASN   7          2HD2      ASN   7 -15.263 -11.239  10.753
   49    H    THR   8           H        THR   8 -10.737  -8.362   7.136
   50    HA   THR   8           HA       THR   8 -11.903  -6.893   4.979
   51    HB   THR   8           HB       THR   8  -8.996  -7.611   5.081
   52    HG1  THR   8           1HG      THR   8 -10.138  -5.499   6.623
   53   1HG2  THR   8          1HG2      THR   8  -9.109  -6.172   3.364
   54   2HG2  THR   8          2HG2      THR   8  -9.227  -4.932   4.610
   55   3HG2  THR   8          3HG2      THR   8 -10.690  -5.562   3.851
   56    H    CYS   9           H        CYS   9 -10.547 -10.076   5.369
   57    HA   CYS   9           HA       CYS   9 -11.329 -10.747   2.644
   58   1HB   CYS   9          1HB       CYS   9  -8.536 -10.698   3.668
   59   2HB   CYS   9          2HB       CYS   9  -8.998 -12.099   2.689
   60    H    SER  10           H        SER  10 -12.967 -12.008   3.589
   61    HA   SER  10           HA       SER  10 -12.186 -14.202   5.345
   62   1HB   SER  10          1HB       SER  10 -14.965 -13.869   4.262
   63   2HB   SER  10          2HB       SER  10 -14.436 -14.448   5.860
   64    HG   SER  10           HG       SER  10 -14.068 -12.381   6.505
   65    H    ILE  11           H        ILE  11 -11.285 -14.109   2.547
   66    HA   ILE  11           HA       ILE  11 -12.775 -16.178   1.179
   67    HB   ILE  11           HB       ILE  11 -10.097 -15.392   0.175
   68   1HG1  ILE  11          1HG1      ILE  11 -12.358 -13.483  -0.318
   69   2HG1  ILE  11          2HG1      ILE  11 -11.399 -13.319   1.172
   70   1HG2  ILE  11          1HG2      ILE  11 -11.297 -16.811  -1.242
   71   2HG2  ILE  11          2HG2      ILE  11 -12.811 -15.944  -0.981
   72   3HG2  ILE  11          3HG2      ILE  11 -11.530 -15.211  -1.949
   73   1HD1  ILE  11          1HD1      ILE  11 -10.186 -11.951  -0.167
   74   2HD1  ILE  11          2HD1      ILE  11  -9.404 -13.473  -0.598
   75   3HD1  ILE  11          3HD1      ILE  11 -10.649 -12.791  -1.645
   76    H    ASP  12           H        ASP  12  -9.464 -16.491   0.640
   77    HA   ASP  12           HA       ASP  12  -9.409 -19.040   2.057
   78   1HB   ASP  12          1HB       ASP  12  -8.573 -18.439  -0.428
   79   2HB   ASP  12          2HB       ASP  12  -7.073 -18.092   0.458
   80    H    ASP  13           H        ASP  13  -6.689 -19.289   2.546
   81    HA   ASP  13           HA       ASP  13  -6.295 -17.626   4.856
   82   1HB   ASP  13          1HB       ASP  13  -5.489 -20.034   4.572
   83   2HB   ASP  13          2HB       ASP  13  -4.211 -19.373   3.529
   84    H    TYR  14           H        TYR  14  -6.580 -15.681   3.458
   85    HA   TYR  14           HA       TYR  14  -4.251 -14.955   1.864
   86   1HB   TYR  14          1HB       TYR  14  -7.071 -14.041   2.076
   87   2HB   TYR  14          2HB       TYR  14  -5.869 -12.805   1.667
   88    HD1  TYR  14           1HD      TYR  14  -8.121 -15.024   0.276
   89    HD2  TYR  14           2HD      TYR  14  -4.098 -13.733  -0.192
   90    HE1  TYR  14           1HE      TYR  14  -8.163 -15.762  -2.068
   91    HE2  TYR  14           2HE      TYR  14  -4.119 -14.472  -2.532
   92    HH   TYR  14           HH       TYR  14  -6.926 -16.150  -3.902
   93    H    LYS  15           H        LYS  15  -2.703 -13.683   2.605
   94    HA   LYS  15           HA       LYS  15  -3.023 -12.403   5.190
   95   1HB   LYS  15          1HB       LYS  15  -0.632 -12.443   3.326
   96   2HB   LYS  15          2HB       LYS  15  -0.645 -11.864   5.009
   97   1HG   LYS  15          1HG       LYS  15  -1.046 -14.085   5.836
   98   2HG   LYS  15          2HG       LYS  15  -1.269 -14.711   4.184
   99   1HD   LYS  15          1HD       LYS  15   1.303 -13.360   4.974
  100   2HD   LYS  15          2HD       LYS  15   1.012 -15.065   5.392
  101   1HE   LYS  15          1HE       LYS  15   1.137 -15.763   3.226
  102   2HE   LYS  15          2HE       LYS  15   0.438 -14.259   2.586
  103   1HZ   LYS  15          1HZ       LYS  15   2.639 -14.185   1.900
  104   2HZ   LYS  15          2HZ       LYS  15   3.239 -14.817   3.360
  105   3HZ   LYS  15          3HZ       LYS  15   2.655 -13.225   3.297
  106    HA   PRO  16           HA       PRO  16  -4.139  -8.572   3.115
  107   1HB   PRO  16          1HB       PRO  16  -4.286  -7.466   5.847
  108   2HB   PRO  16          2HB       PRO  16  -5.584  -7.738   4.639
  109   1HG   PRO  16          1HG       PRO  16  -5.357  -9.169   6.915
  110   2HG   PRO  16          2HG       PRO  16  -6.112  -9.810   5.419
  111   1HD   PRO  16          1HD       PRO  16  -3.356 -10.264   6.581
  112   2HD   PRO  16          2HD       PRO  16  -4.449 -11.414   5.752
  113    H    TYR  17           H        TYR  17  -3.000  -6.737   2.651
  114    HA   TYR  17           HA       TYR  17  -0.526  -6.253   4.160
  115   1HB   TYR  17          1HB       TYR  17  -0.822  -6.703   1.193
  116   2HB   TYR  17          2HB       TYR  17   0.543  -5.793   1.862
  117    HD1  TYR  17           1HD      TYR  17  -0.907  -9.079   1.352
  118    HD2  TYR  17           2HD      TYR  17   2.186  -6.949   3.338
  119    HE1  TYR  17           1HE      TYR  17   0.289 -11.188   1.724
  120    HE2  TYR  17           2HE      TYR  17   3.407  -9.048   3.704
  121    HH   TYR  17           HH       TYR  17   3.021 -11.699   2.102
  122    H    CYS  18           H        CYS  18   0.071  -4.149   4.329
  123    HA   CYS  18           HA       CYS  18  -1.620  -2.148   3.011
  124   1HB   CYS  18          1HB       CYS  18  -1.098  -2.025   5.508
  125   2HB   CYS  18          2HB       CYS  18   0.570  -1.652   5.044
  126    H    CYS  19           H        CYS  19  -0.942  -1.459   1.094
  127    HA   CYS  19           HA       CYS  19   1.949  -1.577   0.550
  128   1HB   CYS  19          1HB       CYS  19  -0.307  -2.006  -1.420
  129   2HB   CYS  19          2HB       CYS  19   1.426  -2.133  -1.764
  130    H    GLN  20           H        GLN  20   2.909   0.219  -0.123
  131    HA   GLN  20           HA       GLN  20   1.310   2.603  -0.575
  132   1HB   GLN  20          1HB       GLN  20   3.915   2.028   0.444
  133   2HB   GLN  20          2HB       GLN  20   4.098   3.074  -0.984
  134   1HG   GLN  20          1HG       GLN  20   2.155   3.741   1.215
  135   2HG   GLN  20          2HG       GLN  20   3.876   4.166   1.336
  136   1HE2  GLN  20          1HE2      GLN  20   3.911   4.488  -1.669
  137   2HE2  GLN  20          2HE2      GLN  20   3.211   6.049  -1.943
  138    H    SER  21           H        SER  21   0.487   2.739  -2.582
  139    HA   SER  21           HA       SER  21   2.154   1.913  -4.846
  140   1HB   SER  21          1HB       SER  21  -0.757   2.666  -5.046
  141   2HB   SER  21          2HB       SER  21   0.190   1.569  -6.080
  142    HG   SER  21           HG       SER  21  -1.227   1.018  -3.825
  143    H    MET  22           H        MET  22   2.809   3.331  -6.391
  144    HA   MET  22           HA       MET  22   2.372   6.159  -5.886
  145   1HB   MET  22          1HB       MET  22   4.263   4.548  -7.548
  146   2HB   MET  22          2HB       MET  22   3.927   6.223  -8.045
  147   1HG   MET  22          1HG       MET  22   5.558   6.815  -6.647
  148   2HG   MET  22          2HG       MET  22   4.416   6.464  -5.339
  149   1HE   MET  22          1HE       MET  22   7.778   5.660  -4.252
  150   2HE   MET  22          2HE       MET  22   6.234   6.461  -3.964
  151   3HE   MET  22          3HE       MET  22   6.548   4.871  -3.266
  152    H    SER  23           H        SER  23   2.726   4.842  -9.125
  153    HA   SER  23           HA       SER  23  -0.017   5.719  -9.722
  154   1HB   SER  23          1HB       SER  23   1.523   5.799 -12.104
  155   2HB   SER  23          2HB       SER  23   0.807   7.167 -11.218
  156    HG   SER  23           HG       SER  23   2.717   7.254  -9.947
  157    H    GLY  24           H        GLY  24   2.596   3.584 -10.597
  158   1HA   GLY  24          1HA       GLY  24   1.704   1.169 -10.751
  159   2HA   GLY  24          2HA       GLY  24   0.718   1.845 -12.042
  160    HA   PRO  25           HA       PRO  25   4.718   0.326 -13.900
  161   1HB   PRO  25          1HB       PRO  25   2.949  -0.844 -15.957
  162   2HB   PRO  25          2HB       PRO  25   4.189  -1.615 -14.915
  163   1HG   PRO  25          1HG       PRO  25   1.543  -2.022 -14.611
  164   2HG   PRO  25          2HG       PRO  25   2.720  -2.144 -13.263
  165   1HD   PRO  25          1HD       PRO  25   0.782   0.054 -13.990
  166   2HD   PRO  25          2HD       PRO  25   1.298  -0.530 -12.379
  167    H    ALA  26           H        ALA  26   5.773   1.456 -15.425
  168    HA   ALA  26           HA       ALA  26   4.373   3.609 -16.756
  169   1HB   ALA  26          1HB       ALA  26   7.013   3.174 -15.830
  170   2HB   ALA  26          2HB       ALA  26   7.100   3.453 -17.570
  171   3HB   ALA  26          3HB       ALA  26   6.326   4.642 -16.523
  172    H    GLY  27           H        GLY  27   4.685   4.033 -19.083
  173   1HA   GLY  27          1HA       GLY  27   4.410   1.486 -20.532
  174   2HA   GLY  27          2HA       GLY  27   3.728   3.025 -21.035
  175    H    SER  28           H        SER  28   5.633   4.759 -21.229
  176    HA   SER  28           HA       SER  28   7.025   3.893 -23.545
  177   1HB   SER  28          1HB       SER  28   8.054   6.389 -22.611
  178   2HB   SER  28          2HB       SER  28   6.920   6.090 -23.950
  179    HG   SER  28           HG       SER  28   6.437   6.946 -21.348
  180    HA   PRO  29           HA       PRO  29  10.698   2.474 -21.412
  181   1HB   PRO  29          1HB       PRO  29  11.788   1.938 -24.087
  182   2HB   PRO  29          2HB       PRO  29  11.271   0.797 -22.803
  183   1HG   PRO  29          1HG       PRO  29   9.953   1.125 -25.147
  184   2HG   PRO  29          2HG       PRO  29   9.177   0.544 -23.638
  185   1HD   PRO  29          1HD       PRO  29   9.150   3.271 -24.939
  186   2HD   PRO  29          2HD       PRO  29   7.848   2.408 -24.066
  187    H    GLY  30           H        GLY  30  11.585   4.378 -20.659
  188   1HA   GLY  30          1HA       GLY  30  12.710   6.333 -22.449
  189   2HA   GLY  30          2HA       GLY  30  12.777   6.358 -20.692
  190    H    LEU  31           H        LEU  31  14.882   6.913 -22.631
  191    HA   LEU  31           HA       LEU  31  16.751   4.708 -22.196
  192   1HB   LEU  31          1HB       LEU  31  18.245   5.916 -23.716
  193   2HB   LEU  31          2HB       LEU  31  16.645   5.636 -24.445
  194    HG   LEU  31           HG       LEU  31  16.731   8.210 -23.129
  195   1HD1  LEU  31          1HD1      LEU  31  19.184   7.891 -23.706
  196   2HD1  LEU  31          2HD1      LEU  31  18.681   7.943 -25.395
  197   3HD1  LEU  31          3HD1      LEU  31  18.395   9.332 -24.348
  198   1HD2  LEU  31          1HD2      LEU  31  15.102   8.134 -24.693
  199   2HD2  LEU  31          2HD2      LEU  31  16.391   8.742 -25.732
  200   3HD2  LEU  31          3HD2      LEU  31  15.997   7.023 -25.730
  201    H    LEU  32           H        LEU  32  15.740   6.669 -20.144
  202    HA   LEU  32           HA       LEU  32  18.313   7.286 -18.950
  203   1HB   LEU  32          1HB       LEU  32  17.624   9.611 -18.406
  204   2HB   LEU  32          2HB       LEU  32  17.884   9.329 -20.144
  205    HG   LEU  32           HG       LEU  32  15.110   8.920 -19.394
  206   1HD1  LEU  32          1HD1      LEU  32  16.018  11.754 -19.100
  207   2HD1  LEU  32          2HD1      LEU  32  14.489  11.014 -18.623
  208   3HD1  LEU  32          3HD1      LEU  32  15.956  10.676 -17.706
  209   1HD2  LEU  32          1HD2      LEU  32  15.099  10.948 -21.145
  210   2HD2  LEU  32          2HD2      LEU  32  16.716  10.313 -21.447
  211   3HD2  LEU  32          3HD2      LEU  32  15.310   9.264 -21.622
  212    H    ASN  33           H        ASN  33  14.803   7.213 -18.717
  213    HA   ASN  33           HA       ASN  33  14.987   6.812 -15.823
  214   1HB   ASN  33          1HB       ASN  33  13.324   8.453 -16.662
  215   2HB   ASN  33          2HB       ASN  33  12.542   7.156 -17.591
  216   1HD2  ASN  33          1HD2      ASN  33  10.636   7.689 -16.414
  217   2HD2  ASN  33          2HD2      ASN  33  10.392   7.066 -14.818
  218    H    LEU  34           H        LEU  34  14.801   4.835 -14.971
  219    HA   LEU  34           HA       LEU  34  14.877   2.568 -16.673
  220   1HB   LEU  34          1HB       LEU  34  16.101   2.574 -14.595
  221   2HB   LEU  34          2HB       LEU  34  14.596   2.804 -13.673
  222    HG   LEU  34           HG       LEU  34  13.872   0.541 -14.610
  223   1HD1  LEU  34          1HD1      LEU  34  15.164  -0.409 -16.134
  224   2HD1  LEU  34          2HD1      LEU  34  16.416   0.812 -15.908
  225   3HD1  LEU  34          3HD1      LEU  34  16.393  -0.628 -14.887
  226   1HD2  LEU  34          1HD2      LEU  34  15.048   1.208 -12.311
  227   2HD2  LEU  34          2HD2      LEU  34  14.608  -0.452 -12.712
  228   3HD2  LEU  34          3HD2      LEU  34  16.268   0.097 -12.934
  229    H    ILE  35           H        ILE  35  13.332   1.234 -17.335
  230    HA   ILE  35           HA       ILE  35  10.602   1.669 -16.347
  231    HB   ILE  35           HB       ILE  35  10.572   0.006 -18.652
  232   1HG1  ILE  35          1HG1      ILE  35  11.502   2.265 -19.997
  233   2HG1  ILE  35          2HG1      ILE  35  12.698   2.002 -18.706
  234   1HG2  ILE  35          1HG2      ILE  35   9.830   2.863 -18.871
  235   2HG2  ILE  35          2HG2      ILE  35   8.920   1.416 -19.298
  236   3HG2  ILE  35          3HG2      ILE  35   9.034   1.919 -17.612
  237   1HD1  ILE  35          1HD1      ILE  35  11.836  -0.329 -20.351
  238   2HD1  ILE  35          2HD1      ILE  35  12.948   0.843 -21.057
  239   3HD1  ILE  35          3HD1      ILE  35  13.384  -0.004 -19.572
  240    HA   PRO  36           HA       PRO  36  11.129  -2.279 -14.362
  241   1HB   PRO  36          1HB       PRO  36   8.213  -2.162 -13.868
  242   2HB   PRO  36          2HB       PRO  36   9.591  -2.125 -12.720
  243   1HG   PRO  36          1HG       PRO  36   8.042   0.016 -13.233
  244   2HG   PRO  36          2HG       PRO  36   9.757   0.142 -12.723
  245   1HD   PRO  36          1HD       PRO  36   8.486   0.451 -15.442
  246   2HD   PRO  36          2HD       PRO  36   9.878   1.317 -14.724
  247    H    VAL  37           H        VAL  37  11.271  -4.118 -15.454
  248    HA   VAL  37           HA       VAL  37   9.404  -4.752 -17.588
  249    HB   VAL  37           HB       VAL  37  11.481  -6.682 -16.611
  250   1HG1  VAL  37          1HG1      VAL  37  11.223  -6.219 -19.466
  251   2HG1  VAL  37          2HG1      VAL  37  11.091  -7.718 -18.547
  252   3HG1  VAL  37          3HG1      VAL  37   9.690  -6.661 -18.715
  253   1HG2  VAL  37          1HG2      VAL  37  12.073  -4.013 -17.336
  254   2HG2  VAL  37          2HG2      VAL  37  13.197  -5.342 -17.049
  255   3HG2  VAL  37          3HG2      VAL  37  12.578  -5.046 -18.673
  256    H    ASP  38           H        ASP  38   7.873  -4.591 -15.503
  257    HA   ASP  38           HA       ASP  38   6.926  -7.259 -15.018
  258   1HB   ASP  38          1HB       ASP  38   8.561  -7.253 -13.263
  259   2HB   ASP  38          2HB       ASP  38   8.115  -5.603 -12.775
  260    H    LEU  39           H        LEU  39   4.834  -7.216 -13.873
  261    HA   LEU  39           HA       LEU  39   3.577  -4.588 -13.663
  262   1HB   LEU  39          1HB       LEU  39   1.740  -6.449 -14.893
  263   2HB   LEU  39          2HB       LEU  39   2.200  -4.806 -15.399
  264    HG   LEU  39           HG       LEU  39   4.365  -6.261 -16.212
  265   1HD1  LEU  39          1HD1      LEU  39   3.279  -8.375 -15.601
  266   2HD1  LEU  39          2HD1      LEU  39   1.939  -7.990 -16.681
  267   3HD1  LEU  39          3HD1      LEU  39   3.555  -8.249 -17.340
  268   1HD2  LEU  39          1HD2      LEU  39   2.021  -6.058 -18.037
  269   2HD2  LEU  39          2HD2      LEU  39   2.702  -4.580 -17.359
  270   3HD2  LEU  39          3HD2      LEU  39   3.714  -5.655 -18.323
  271    H    SER  40           H        SER  40   4.220  -7.488 -12.255
  272    HA   SER  40           HA       SER  40   1.766  -7.383 -10.664
  273   1HB   SER  40          1HB       SER  40   2.496 -10.148 -11.142
  274   2HB   SER  40          2HB       SER  40   0.928  -9.334 -11.358
  275    HG   SER  40           HG       SER  40   2.659 -10.132 -13.231
  276    H    ALA  41           H        ALA  41   5.115  -8.450 -10.939
  277    HA   ALA  41           HA       ALA  41   5.072  -9.837  -8.406
  278   1HB   ALA  41          1HB       ALA  41   7.403 -10.301  -8.827
  279   2HB   ALA  41          2HB       ALA  41   6.465 -10.596 -10.290
  280   3HB   ALA  41          3HB       ALA  41   7.431  -9.128 -10.142
  281    H    SER  42           H        SER  42   5.205  -6.631  -9.184
  282    HA   SER  42           HA       SER  42   7.149  -5.777  -7.257
  283   1HB   SER  42          1HB       SER  42   5.392  -3.647  -7.933
  284   2HB   SER  42          2HB       SER  42   7.040  -3.942  -8.540
  285    HG   SER  42           HG       SER  42   6.092  -5.304 -10.166
  286    H    LEU  43           H        LEU  43   6.488  -6.624  -5.266
  287    HA   LEU  43           HA       LEU  43   4.270  -5.147  -4.059
  288   1HB   LEU  43          1HB       LEU  43   4.367  -8.026  -4.519
  289   2HB   LEU  43          2HB       LEU  43   4.137  -7.617  -2.802
  290    HG   LEU  43           HG       LEU  43   1.953  -7.708  -3.428
  291   1HD1  LEU  43          1HD1      LEU  43   1.305  -5.631  -3.028
  292   2HD1  LEU  43          2HD1      LEU  43   2.945  -5.080  -3.367
  293   3HD1  LEU  43          3HD1      LEU  43   1.750  -5.139  -4.661
  294   1HD2  LEU  43          1HD2      LEU  43   2.517  -8.393  -5.741
  295   2HD2  LEU  43          2HD2      LEU  43   1.087  -7.368  -5.636
  296   3HD2  LEU  43          3HD2      LEU  43   2.620  -6.687  -6.181
  297    H    GLY  44           H        GLY  44   5.420  -3.924  -2.703
  298   1HA   GLY  44          1HA       GLY  44   7.132  -5.333  -0.748
  299   2HA   GLY  44          2HA       GLY  44   7.471  -3.701  -1.314
  300    H    CYS  45           H        CYS  45   5.509  -5.661   0.775
  301    HA   CYS  45           HA       CYS  45   4.270  -3.232   1.863
  302   1HB   CYS  45          1HB       CYS  45   2.746  -5.801   1.586
  303   2HB   CYS  45          2HB       CYS  45   2.125  -4.166   1.866
  304    H    VAL  46           H        VAL  46   3.058  -3.784   3.935
  305    HA   VAL  46           HA       VAL  46   4.504  -5.837   5.480
  306    HB   VAL  46           HB       VAL  46   3.766  -4.402   7.493
  307   1HG1  VAL  46          1HG1      VAL  46   6.077  -4.438   5.930
  308   2HG1  VAL  46          2HG1      VAL  46   5.759  -2.731   6.252
  309   3HG1  VAL  46          3HG1      VAL  46   5.921  -3.866   7.594
  310   1HG2  VAL  46          1HG2      VAL  46   3.984  -1.893   6.232
  311   2HG2  VAL  46          2HG2      VAL  46   2.767  -2.805   5.337
  312   3HG2  VAL  46          3HG2      VAL  46   2.588  -2.565   7.077
  313    H    VAL  47           H        VAL  47   3.179  -6.893   7.146
  314    HA   VAL  47           HA       VAL  47   0.721  -7.762   6.087
  315    HB   VAL  47           HB       VAL  47   0.413  -8.616   8.574
  316   1HG1  VAL  47          1HG1      VAL  47   1.790 -10.582   7.992
  317   2HG1  VAL  47          2HG1      VAL  47   0.740 -10.061   6.674
  318   3HG1  VAL  47          3HG1      VAL  47   2.462  -9.678   6.634
  319   1HG2  VAL  47          1HG2      VAL  47   2.561  -7.106   9.072
  320   2HG2  VAL  47          2HG2      VAL  47   2.210  -8.592   9.956
  321   3HG2  VAL  47          3HG2      VAL  47   3.372  -8.610   8.630
  322    H    GLY  48           H        GLY  48  -1.344  -7.276   6.534
  323   1HA   GLY  48          1HA       GLY  48  -1.971  -4.653   7.295
  324   2HA   GLY  48          2HA       GLY  48  -3.125  -5.964   7.117
  325    H    VAL  49           H        VAL  49  -1.803  -3.807   9.229
  326    HA   VAL  49           HA       VAL  49  -1.744  -5.229  11.657
  327    HB   VAL  49           HB       VAL  49  -2.482  -2.762  12.490
  328   1HG1  VAL  49          1HG1      VAL  49  -0.138  -4.243  12.302
  329   2HG1  VAL  49          2HG1      VAL  49   0.274  -2.668  11.625
  330   3HG1  VAL  49          3HG1      VAL  49  -0.395  -2.782  13.254
  331   1HG2  VAL  49          1HG2      VAL  49  -2.843  -1.559  10.580
  332   2HG2  VAL  49          2HG2      VAL  49  -1.110  -1.283  10.771
  333   3HG2  VAL  49          3HG2      VAL  49  -1.690  -2.502   9.634
  334    H    ILE  50           H        ILE  50  -3.460  -6.538  11.981
  335    HA   ILE  50           HA       ILE  50  -6.107  -5.993  11.275
  336    HB   ILE  50           HB       ILE  50  -6.570  -7.830  13.103
  337   1HG1  ILE  50          1HG1      ILE  50  -3.669  -8.419  12.546
  338   2HG1  ILE  50          2HG1      ILE  50  -4.151  -7.458  13.965
  339   1HG2  ILE  50          1HG2      ILE  50  -5.266  -9.384  11.237
  340   2HG2  ILE  50          2HG2      ILE  50  -6.919  -8.782  11.116
  341   3HG2  ILE  50          3HG2      ILE  50  -5.597  -7.887  10.366
  342   1HD1  ILE  50          1HD1      ILE  50  -4.823 -10.327  13.341
  343   2HD1  ILE  50          2HD1      ILE  50  -3.923  -9.686  14.717
  344   3HD1  ILE  50          3HD1      ILE  50  -5.659  -9.400  14.586
  345    H    GLY  51           H        GLY  51  -7.105  -4.245  11.989
  346   1HA   GLY  51          1HA       GLY  51  -8.628  -3.561  13.785
  347   2HA   GLY  51          2HA       GLY  51  -7.331  -3.902  14.918
  348    H    SER  52           H        SER  52  -5.680  -2.633  12.504
  349    HA   SER  52           HA       SER  52  -5.977   0.109  13.544
  350   1HB   SER  52          1HB       SER  52  -3.497  -1.009  12.228
  351   2HB   SER  52          2HB       SER  52  -3.650   0.444  13.245
  352    HG   SER  52           HG       SER  52  -4.471  -1.864  14.494
  353    H    GLN  53           H        GLN  53  -5.513   1.845  12.019
  354    HA   GLN  53           HA       GLN  53  -6.515   1.152   9.361
  355   1HB   GLN  53          1HB       GLN  53  -6.233   3.979   9.700
  356   2HB   GLN  53          2HB       GLN  53  -7.712   3.018   9.460
  357   1HG   GLN  53          1HG       GLN  53  -8.290   3.845  11.459
  358   2HG   GLN  53          2HG       GLN  53  -7.231   2.565  12.091
  359   1HE2  GLN  53          1HE2      GLN  53  -6.826   3.811  13.945
  360   2HE2  GLN  53          2HE2      GLN  53  -5.735   5.156  13.907
  361    H    CYS  54           H        CYS  54  -5.571   2.067   7.501
  362    HA   CYS  54           HA       CYS  54  -2.719   2.733   7.802
  363   1HB   CYS  54          1HB       CYS  54  -3.729   0.350   6.795
  364   2HB   CYS  54          2HB       CYS  54  -3.411   1.307   5.339
  365    H    GLY  55           H        GLY  55  -1.841   4.032   6.107
  366   1HA   GLY  55          1HA       GLY  55  -3.903   5.608   4.714
  367   2HA   GLY  55          2HA       GLY  55  -2.299   6.191   5.144
  368    H    ALA  56           H        ALA  56  -3.407   3.248   3.506
  369    HA   ALA  56           HA       ALA  56  -2.281   4.054   0.989
  370   1HB   ALA  56          1HB       ALA  56  -0.219   3.409   1.997
  371   2HB   ALA  56          2HB       ALA  56  -0.931   1.935   2.652
  372   3HB   ALA  56          3HB       ALA  56  -0.695   2.101   0.915
  373    H    SER  57           H        SER  57  -2.086   1.688  -0.288
  374    HA   SER  57           HA       SER  57  -4.842   0.886  -0.457
  375   1HB   SER  57          1HB       SER  57  -3.248  -0.779  -2.095
  376   2HB   SER  57          2HB       SER  57  -4.204   0.638  -2.593
  377    HG   SER  57           HG       SER  57  -1.479   0.606  -1.723
  378    H    VAL  58           H        VAL  58  -5.743  -1.018   0.164
  379    HA   VAL  58           HA       VAL  58  -4.018  -2.828   1.716
  380    HB   VAL  58           HB       VAL  58  -7.031  -2.624   1.845
  381   1HG1  VAL  58          1HG1      VAL  58  -6.943  -4.460   3.090
  382   2HG1  VAL  58          2HG1      VAL  58  -5.207  -4.566   2.797
  383   3HG1  VAL  58          3HG1      VAL  58  -5.816  -3.678   4.197
  384   1HG2  VAL  58          1HG2      VAL  58  -6.754  -1.397   3.913
  385   2HG2  VAL  58          2HG2      VAL  58  -4.998  -1.480   3.757
  386   3HG2  VAL  58          3HG2      VAL  58  -5.943  -0.544   2.596
  387    H    LYS  59           H        LYS  59  -3.564  -4.728   0.886
  388    HA   LYS  59           HA       LYS  59  -5.365  -5.864  -1.152
  389   1HB   LYS  59          1HB       LYS  59  -2.418  -6.431  -1.140
  390   2HB   LYS  59          2HB       LYS  59  -3.582  -6.542  -2.483
  391   1HG   LYS  59          1HG       LYS  59  -3.695  -4.123  -2.627
  392   2HG   LYS  59          2HG       LYS  59  -2.615  -3.965  -1.221
  393   1HD   LYS  59          1HD       LYS  59  -1.564  -3.675  -3.528
  394   2HD   LYS  59          2HD       LYS  59  -0.761  -4.803  -2.410
  395   1HE   LYS  59          1HE       LYS  59  -0.776  -6.130  -4.260
  396   2HE   LYS  59          2HE       LYS  59  -2.390  -6.539  -3.639
  397   1HZ   LYS  59          1HZ       LYS  59  -2.337  -5.994  -6.037
  398   2HZ   LYS  59          2HZ       LYS  59  -1.867  -4.410  -5.654
  399   3HZ   LYS  59          3HZ       LYS  59  -3.381  -4.993  -5.148
  400    H    CYS  60           H        CYS  60  -4.956  -8.255  -1.441
  401    HA   CYS  60           HA       CYS  60  -4.216  -9.555   1.092
  402   1HB   CYS  60          1HB       CYS  60  -6.640 -10.088  -0.644
  403   2HB   CYS  60          2HB       CYS  60  -6.045 -11.250   0.553
  404    H    CYS  61           H        CYS  61  -2.674 -11.070   0.793
  405    HA   CYS  61           HA       CYS  61  -2.422 -12.216  -1.900
  406   1HB   CYS  61          1HB       CYS  61  -0.792 -10.217  -1.056
  407   2HB   CYS  61          2HB       CYS  61   0.119 -11.635  -0.510
  408    H    LYS  62           H        LYS  62  -2.003 -14.287  -2.001
  409    HA   LYS  62           HA       LYS  62  -1.091 -15.699   0.413
  410   1HB   LYS  62          1HB       LYS  62  -3.102 -16.692  -0.425
  411   2HB   LYS  62          2HB       LYS  62  -2.496 -16.647  -2.098
  412   1HG   LYS  62          1HG       LYS  62  -1.748 -18.723  -1.860
  413   2HG   LYS  62          2HG       LYS  62  -0.641 -18.164  -0.583
  414   1HD   LYS  62          1HD       LYS  62  -3.030 -18.303   0.764
  415   2HD   LYS  62          2HD       LYS  62  -3.177 -19.657  -0.383
  416   1HE   LYS  62          1HE       LYS  62  -0.530 -19.678   0.705
  417   2HE   LYS  62          2HE       LYS  62  -1.684 -19.529   2.049
  418   1HZ   LYS  62          1HZ       LYS  62  -1.173 -21.844   1.459
  419   2HZ   LYS  62          2HZ       LYS  62  -1.831 -21.604  -0.086
  420   3HZ   LYS  62          3HZ       LYS  62  -2.822 -21.488   1.287
  421    H    ASP  63           H        ASP  63   1.010 -16.042   0.478
  422    HA   ASP  63           HA       ASP  63   2.564 -16.824  -1.777
  423   1HB   ASP  63          1HB       ASP  63   3.637 -14.895  -2.392
  424   2HB   ASP  63          2HB       ASP  63   2.062 -14.217  -1.929
  425    H    ASP  64           H        ASP  64   4.894 -16.931  -1.242
  426    HA   ASP  64           HA       ASP  64   5.199 -17.617   1.594
  427   1HB   ASP  64          1HB       ASP  64   5.640 -19.426   0.035
  428   2HB   ASP  64          2HB       ASP  64   6.801 -18.414  -0.850
  429    H    VAL  65           H        VAL  65   5.673 -15.638   2.501
  430    HA   VAL  65           HA       VAL  65   7.853 -14.033   1.461
  431    HB   VAL  65           HB       VAL  65   6.217 -13.700   3.982
  432   1HG1  VAL  65          1HG1      VAL  65   7.478 -11.949   4.574
  433   2HG1  VAL  65          2HG1      VAL  65   8.690 -12.627   3.487
  434   3HG1  VAL  65          3HG1      VAL  65   7.601 -11.362   2.916
  435   1HG2  VAL  65          1HG2      VAL  65   4.996 -13.444   1.813
  436   2HG2  VAL  65          2HG2      VAL  65   5.012 -11.999   2.824
  437   3HG2  VAL  65          3HG2      VAL  65   6.085 -12.108   1.429
  438    H    THR  66           H        THR  66   9.894 -14.073   2.156
  439    HA   THR  66           HA       THR  66  10.582 -15.906   4.333
  440    HB   THR  66           HB       THR  66  12.967 -15.224   3.297
  441    HG1  THR  66           1HG      THR  66  12.515 -15.159   0.923
  442   1HG2  THR  66          1HG2      THR  66  12.606 -17.475   3.273
  443   2HG2  THR  66          2HG2      THR  66  12.351 -17.162   1.554
  444   3HG2  THR  66          3HG2      THR  66  10.968 -17.312   2.642
  445    H    ASN  67           H        ASN  67  11.737 -15.243   6.128
  446    HA   ASN  67           HA       ASN  67  12.020 -12.331   6.465
  447   1HB   ASN  67          1HB       ASN  67  11.669 -12.564   8.730
  448   2HB   ASN  67          2HB       ASN  67  10.686 -13.906   8.106
  449   1HD2  ASN  67          1HD2      ASN  67  12.927 -13.054  10.375
  450   2HD2  ASN  67          2HD2      ASN  67  13.564 -14.618  10.743
  451    H    THR  68           H        THR  68  13.802 -14.705   5.357
  452    HA   THR  68           HA       THR  68  16.200 -14.468   6.909
  453    HB   THR  68           HB       THR  68  16.966 -15.550   4.504
  454    HG1  THR  68           1HG      THR  68  15.165 -15.965   3.454
  455   1HG2  THR  68          1HG2      THR  68  17.456 -17.230   5.890
  456   2HG2  THR  68          2HG2      THR  68  15.744 -17.598   6.108
  457   3HG2  THR  68          3HG2      THR  68  16.534 -16.411   7.150
  458    H    GLY  69           H        GLY  69  17.108 -12.480   6.919
  459   1HA   GLY  69          1HA       GLY  69  18.254 -10.642   6.134
  460   2HA   GLY  69          2HA       GLY  69  18.342 -11.440   4.568
  461    H    ASN  70           H        ASN  70  15.443 -10.617   6.374
  462    HA   ASN  70           HA       ASN  70  14.729  -8.645   4.315
  463   1HB   ASN  70          1HB       ASN  70  13.611 -11.232   4.594
  464   2HB   ASN  70          2HB       ASN  70  12.398 -10.087   5.207
  465   1HD2  ASN  70          1HD2      ASN  70  11.867 -11.556   2.989
  466   2HD2  ASN  70          2HD2      ASN  70  11.853 -10.538   1.588
  467    H    SER  71           H        SER  71  14.245  -6.775   5.258
  468    HA   SER  71           HA       SER  71  13.829  -6.546   8.066
  469   1HB   SER  71          1HB       SER  71  13.028  -4.265   6.360
  470   2HB   SER  71          2HB       SER  71  14.148  -4.320   7.742
  471    HG   SER  71           HG       SER  71  14.632  -4.823   5.003
  472    H    PHE  72           H        PHE  72  11.741  -6.531   5.246
  473    HA   PHE  72           HA       PHE  72   9.441  -6.770   7.028
  474   1HB   PHE  72          1HB       PHE  72   8.122  -5.181   5.846
  475   2HB   PHE  72          2HB       PHE  72   9.660  -4.392   6.232
  476    HD1  PHE  72           1HD      PHE  72  11.453  -4.370   4.350
  477    HD2  PHE  72           2HD      PHE  72   7.327  -5.165   3.685
  478    HE1  PHE  72           1HE      PHE  72  11.721  -3.775   1.977
  479    HE2  PHE  72           2HE      PHE  72   7.583  -4.580   1.317
  480    HZ   PHE  72           HZ       PHE  72   9.785  -3.877   0.456
  481    H    LEU  73           H        LEU  73   7.474  -6.940   5.040
  482    HA   LEU  73           HA       LEU  73   8.101  -9.643   4.186
  483   1HB   LEU  73          1HB       LEU  73   5.488  -8.130   4.263
  484   2HB   LEU  73          2HB       LEU  73   5.666  -9.827   3.759
  485    HG   LEU  73           HG       LEU  73   6.862  -9.752   6.261
  486   1HD1  LEU  73          1HD1      LEU  73   5.889  -7.464   6.524
  487   2HD1  LEU  73          2HD1      LEU  73   4.289  -8.202   6.423
  488   3HD1  LEU  73          3HD1      LEU  73   5.377  -8.632   7.742
  489   1HD2  LEU  73          1HD2      LEU  73   5.410 -11.417   6.659
  490   2HD2  LEU  73          2HD2      LEU  73   4.010 -10.437   6.227
  491   3HD2  LEU  73          3HD2      LEU  73   4.972 -11.207   4.965
  492    H    ILE  74           H        ILE  74   9.345  -9.383   2.352
  493    HA   ILE  74           HA       ILE  74   8.344  -8.024   0.036
  494    HB   ILE  74           HB       ILE  74  10.470 -10.160   0.316
  495   1HG1  ILE  74          1HG1      ILE  74  10.912  -7.918   1.350
  496   2HG1  ILE  74          2HG1      ILE  74  12.062  -8.389   0.076
  497   1HG2  ILE  74          1HG2      ILE  74   9.416  -8.727  -2.087
  498   2HG2  ILE  74          2HG2      ILE  74  11.104  -9.235  -2.027
  499   3HG2  ILE  74          3HG2      ILE  74   9.816 -10.433  -1.886
  500   1HD1  ILE  74          1HD1      ILE  74   9.869  -6.337  -0.039
  501   2HD1  ILE  74          2HD1      ILE  74  11.597  -6.125  -0.318
  502   3HD1  ILE  74          3HD1      ILE  74  10.614  -6.992  -1.497
  503    H    ILE  75           H        ILE  75   6.709  -8.699  -1.188
  504    HA   ILE  75           HA       ILE  75   5.634 -11.365  -0.680
  505    HB   ILE  75           HB       ILE  75   4.417  -9.026  -2.162
  506   1HG1  ILE  75          1HG1      ILE  75   2.991  -9.650   0.191
  507   2HG1  ILE  75          2HG1      ILE  75   4.715  -9.616   0.635
  508   1HG2  ILE  75          1HG2      ILE  75   3.458 -11.087  -2.953
  509   2HG2  ILE  75          2HG2      ILE  75   3.211 -11.651  -1.303
  510   3HG2  ILE  75          3HG2      ILE  75   2.294 -10.272  -1.909
  511   1HD1  ILE  75          1HD1      ILE  75   4.766  -7.398   0.532
  512   2HD1  ILE  75          2HD1      ILE  75   4.012  -7.383  -1.061
  513   3HD1  ILE  75          3HD1      ILE  75   3.009  -7.439   0.388
  514    H    ASN  76           H        ASN  76   5.645 -12.964  -2.104
  515    HA   ASN  76           HA       ASN  76   7.201 -12.778  -4.487
  516   1HB   ASN  76          1HB       ASN  76   6.101 -14.845  -2.880
  517   2HB   ASN  76          2HB       ASN  76   5.492 -15.091  -4.531
  518   1HD2  ASN  76          1HD2      ASN  76   6.704 -16.470  -5.606
  519   2HD2  ASN  76          2HD2      ASN  76   8.428 -16.592  -5.531
  520    H    ALA  77           H        ALA  77   3.979 -12.091  -3.762
  521    HA   ALA  77           HA       ALA  77   2.234 -11.298  -4.962
  522   1HB   ALA  77          1HB       ALA  77   3.079 -10.729  -7.491
  523   2HB   ALA  77          2HB       ALA  77   3.219  -9.652  -6.101
  524   3HB   ALA  77          3HB       ALA  77   4.584 -10.664  -6.574
  525    H    ALA  78           H        ALA  78   2.939 -14.180  -5.039
  526    HA   ALA  78           HA       ALA  78   2.352 -15.240  -7.588
  527   1HB   ALA  78          1HB       ALA  78   3.145 -16.252  -5.134
  528   2HB   ALA  78          2HB       ALA  78   1.557 -16.969  -5.407
  529   3HB   ALA  78          3HB       ALA  78   2.838 -17.174  -6.605
  530    H    ASN  79           H        ASN  79   0.316 -15.007  -4.661
  531    HA   ASN  79           HA       ASN  79  -2.044 -15.049  -6.432
  532   1HB   ASN  79          1HB       ASN  79  -1.933 -16.059  -3.577
  533   2HB   ASN  79          2HB       ASN  79  -3.283 -16.217  -4.722
  534   1HD2  ASN  79          1HD2      ASN  79  -0.079 -17.326  -3.877
  535   2HD2  ASN  79          2HD2      ASN  79  -0.105 -18.765  -4.850
  536    H    CYS  80           H        CYS  80  -1.996 -12.737  -6.511
  537    HA   CYS  80           HA       CYS  80  -2.607 -11.443  -3.939
  538   1HB   CYS  80          1HB       CYS  80  -0.717 -10.785  -6.031
  539   2HB   CYS  80          2HB       CYS  80  -1.862  -9.456  -5.783
  540    H    VAL  81           H        VAL  81  -4.510 -10.517  -3.723
  541    HA   VAL  81           HA       VAL  81  -6.033  -9.831  -6.152
  542    HB   VAL  81           HB       VAL  81  -7.805  -9.768  -3.973
  543   1HG1  VAL  81          1HG1      VAL  81  -8.402 -12.094  -5.267
  544   2HG1  VAL  81          2HG1      VAL  81  -8.891 -10.486  -5.798
  545   3HG1  VAL  81          3HG1      VAL  81  -7.447 -11.238  -6.477
  546   1HG2  VAL  81          1HG2      VAL  81  -5.726 -11.582  -3.369
  547   2HG2  VAL  81          2HG2      VAL  81  -7.246 -11.341  -2.509
  548   3HG2  VAL  81          3HG2      VAL  81  -7.143 -12.535  -3.803
  549    H    ALA  82           H        ALA  82  -7.425  -7.905  -5.914
  550    HA   ALA  82           HA       ALA  82  -7.672  -5.683  -5.560
  551   1HB   ALA  82          1HB       ALA  82  -6.224  -5.358  -3.079
  552   2HB   ALA  82          2HB       ALA  82  -7.937  -5.117  -3.423
  553   3HB   ALA  82          3HB       ALA  82  -7.340  -6.723  -3.002
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  -9.661   7.895   7.150
    2   2H    ALA   1          2H        ALA   1 -10.749   6.622   6.886
    3   3H    ALA   1          3H        ALA   1 -10.047   7.422   5.565
    4    HA   ALA   1           HA       ALA   1  -8.142   6.301   5.677
    5   1HB   ALA   1          1HB       ALA   1  -8.221   7.179   8.325
    6   2HB   ALA   1          2HB       ALA   1  -7.991   5.433   8.422
    7   3HB   ALA   1          3HB       ALA   1  -6.862   6.418   7.494
    8    H    THR   2           H        THR   2  -7.521   4.030   5.803
    9    HA   THR   2           HA       THR   2  -9.880   2.295   6.010
   10    HB   THR   2           HB       THR   2  -7.405   1.157   4.892
   11    HG1  THR   2           1HG      THR   2  -7.179   2.518   3.238
   12   1HG2  THR   2          1HG2      THR   2  -9.362   0.959   2.999
   13   2HG2  THR   2          2HG2      THR   2 -10.313   1.059   4.480
   14   3HG2  THR   2          3HG2      THR   2  -9.098  -0.206   4.295
   15    H    THR   3           H        THR   3  -9.972   1.709   8.148
   16    HA   THR   3           HA       THR   3  -7.608   0.831   9.552
   17    HB   THR   3           HB       THR   3 -10.413   0.327  10.503
   18    HG1  THR   3           1HG      THR   3 -10.520   2.470   9.962
   19   1HG2  THR   3          1HG2      THR   3  -7.785   0.153  11.624
   20   2HG2  THR   3          2HG2      THR   3  -9.332  -0.278  12.355
   21   3HG2  THR   3          3HG2      THR   3  -8.712   1.367  12.501
   22    H    ILE   4           H        ILE   4  -6.741  -1.096   9.201
   23    HA   ILE   4           HA       ILE   4  -8.111  -3.121   7.735
   24    HB   ILE   4           HB       ILE   4  -5.473  -3.325   9.196
   25   1HG1  ILE   4          1HG1      ILE   4  -5.801  -2.844   6.242
   26   2HG1  ILE   4          2HG1      ILE   4  -5.843  -1.480   7.385
   27   1HG2  ILE   4          1HG2      ILE   4  -6.762  -5.014   7.066
   28   2HG2  ILE   4          2HG2      ILE   4  -5.041  -5.087   7.441
   29   3HG2  ILE   4          3HG2      ILE   4  -6.232  -5.509   8.674
   30   1HD1  ILE   4          1HD1      ILE   4  -3.558  -3.390   6.880
   31   2HD1  ILE   4          2HD1      ILE   4  -3.618  -1.660   6.540
   32   3HD1  ILE   4          3HD1      ILE   4  -3.592  -2.230   8.209
   33    H    GLY   5           H        GLY   5  -9.202  -4.851   8.443
   34   1HA   GLY   5          1HA       GLY   5  -8.871  -5.829  11.152
   35   2HA   GLY   5          2HA       GLY   5 -10.433  -5.100  10.800
   36    HA   PRO   6           HA       PRO   6 -10.651  -9.653   9.783
   37   1HB   PRO   6          1HB       PRO   6 -13.227  -9.945  10.753
   38   2HB   PRO   6          2HB       PRO   6 -11.738 -10.136  11.734
   39   1HG   PRO   6          1HG       PRO   6 -13.508  -7.749  11.482
   40   2HG   PRO   6          2HG       PRO   6 -12.840  -8.496  12.970
   41   1HD   PRO   6          1HD       PRO   6 -11.750  -6.287  11.868
   42   2HD   PRO   6          2HD       PRO   6 -10.715  -7.574  12.557
   43    H    ASN   7           H        ASN   7 -12.715  -6.898   9.214
   44    HA   ASN   7           HA       ASN   7 -14.049  -8.193   6.974
   45   1HB   ASN   7          1HB       ASN   7 -14.284  -5.403   8.137
   46   2HB   ASN   7          2HB       ASN   7 -15.224  -5.989   6.748
   47   1HD2  ASN   7          1HD2      ASN   7 -15.034  -5.784  10.118
   48   2HD2  ASN   7          2HD2      ASN   7 -16.382  -6.812  10.503
   49    H    THR   8           H        THR   8 -12.027  -8.531   5.832
   50    HA   THR   8           HA       THR   8 -11.173  -6.113   4.382
   51    HB   THR   8           HB       THR   8  -9.030  -7.809   4.153
   52    HG1  THR   8           1HG      THR   8  -9.569  -7.902   6.915
   53   1HG2  THR   8          1HG2      THR   8  -9.591  -5.289   5.245
   54   2HG2  THR   8          2HG2      THR   8  -8.001  -5.975   4.904
   55   3HG2  THR   8          3HG2      THR   8  -8.721  -6.167   6.503
   56    H    CYS   9           H        CYS   9  -9.794  -9.163   3.615
   57    HA   CYS   9           HA       CYS   9 -11.470  -9.319   1.205
   58   1HB   CYS   9          1HB       CYS   9  -9.078 -10.950   1.094
   59   2HB   CYS   9          2HB       CYS   9  -9.616  -9.668  -0.003
   60    H    SER  10           H        SER  10 -13.122 -10.580   2.013
   61    HA   SER  10           HA       SER  10 -12.611 -12.926   3.580
   62   1HB   SER  10          1HB       SER  10 -15.287 -12.751   2.436
   63   2HB   SER  10          2HB       SER  10 -14.777 -12.715   4.141
   64    HG   SER  10           HG       SER  10 -15.384 -10.636   2.425
   65    H    ILE  11           H        ILE  11 -11.137 -13.698   1.780
   66    HA   ILE  11           HA       ILE  11 -12.677 -15.405  -0.069
   67    HB   ILE  11           HB       ILE  11  -9.817 -14.915  -0.673
   68   1HG1  ILE  11          1HG1      ILE  11 -11.752 -12.800  -1.557
   69   2HG1  ILE  11          2HG1      ILE  11 -10.993 -12.671   0.048
   70   1HG2  ILE  11          1HG2      ILE  11 -12.142 -14.692  -2.549
   71   2HG2  ILE  11          2HG2      ILE  11 -10.481 -15.177  -2.885
   72   3HG2  ILE  11          3HG2      ILE  11 -11.555 -16.264  -2.007
   73   1HD1  ILE  11          1HD1      ILE  11  -9.196 -11.781  -0.892
   74   2HD1  ILE  11          2HD1      ILE  11  -8.951 -13.252  -1.834
   75   3HD1  ILE  11          3HD1      ILE  11  -9.935 -11.942  -2.485
   76    H    ASP  12           H        ASP  12  -9.827 -16.548  -0.597
   77    HA   ASP  12           HA       ASP  12  -9.946 -18.638   1.378
   78   1HB   ASP  12          1HB       ASP  12  -9.236 -18.776  -1.140
   79   2HB   ASP  12          2HB       ASP  12  -7.652 -18.245  -0.534
   80    H    ASP  13           H        ASP  13  -7.270 -19.197   1.891
   81    HA   ASP  13           HA       ASP  13  -6.579 -17.381   3.944
   82   1HB   ASP  13          1HB       ASP  13  -5.715 -19.553   4.230
   83   2HB   ASP  13          2HB       ASP  13  -5.099 -19.621   2.565
   84    H    TYR  14           H        TYR  14  -6.102 -15.352   3.512
   85    HA   TYR  14           HA       TYR  14  -3.991 -14.803   1.560
   86   1HB   TYR  14          1HB       TYR  14  -6.767 -13.678   1.631
   87   2HB   TYR  14          2HB       TYR  14  -5.439 -12.606   1.155
   88    HD1  TYR  14           1HD      TYR  14  -7.786 -14.994  -0.012
   89    HD2  TYR  14           2HD      TYR  14  -3.842 -13.566  -0.701
   90    HE1  TYR  14           1HE      TYR  14  -7.849 -15.930  -2.285
   91    HE2  TYR  14           2HE      TYR  14  -3.886 -14.498  -2.971
   92    HH   TYR  14           HH       TYR  14  -5.829 -15.076  -4.690
   93    H    LYS  15           H        LYS  15  -2.673 -13.082   2.082
   94    HA   LYS  15           HA       LYS  15  -2.968 -12.133   4.840
   95   1HB   LYS  15          1HB       LYS  15  -0.525 -11.985   3.057
   96   2HB   LYS  15          2HB       LYS  15  -0.601 -11.666   4.806
   97   1HG   LYS  15          1HG       LYS  15  -0.950 -13.959   5.307
   98   2HG   LYS  15          2HG       LYS  15  -1.276 -14.358   3.603
   99   1HD   LYS  15          1HD       LYS  15   1.368 -13.144   4.274
  100   2HD   LYS  15          2HD       LYS  15   1.082 -14.834   4.752
  101   1HE   LYS  15          1HE       LYS  15   0.962 -15.575   2.583
  102   2HE   LYS  15          2HE       LYS  15   0.348 -14.024   1.970
  103   1HZ   LYS  15          1HZ       LYS  15   2.598 -14.376   1.207
  104   2HZ   LYS  15          2HZ       LYS  15   3.146 -14.613   2.799
  105   3HZ   LYS  15          3HZ       LYS  15   2.581 -13.091   2.319
  106    HA   PRO  16           HA       PRO  16  -4.098  -8.223   3.054
  107   1HB   PRO  16          1HB       PRO  16  -4.141  -7.136   5.769
  108   2HB   PRO  16          2HB       PRO  16  -5.502  -7.555   4.677
  109   1HG   PRO  16          1HG       PRO  16  -4.899  -8.901   6.967
  110   2HG   PRO  16          2HG       PRO  16  -5.823  -9.597   5.596
  111   1HD   PRO  16          1HD       PRO  16  -2.934  -9.938   6.395
  112   2HD   PRO  16          2HD       PRO  16  -4.072 -11.121   5.682
  113    H    TYR  17           H        TYR  17  -2.634  -6.956   2.128
  114    HA   TYR  17           HA       TYR  17  -0.387  -5.977   3.771
  115   1HB   TYR  17          1HB       TYR  17  -0.516  -6.618   0.815
  116   2HB   TYR  17          2HB       TYR  17   0.822  -5.731   1.564
  117    HD1  TYR  17           1HD      TYR  17   2.104  -6.903   3.450
  118    HD2  TYR  17           2HD      TYR  17  -0.524  -8.974   0.825
  119    HE1  TYR  17           1HE      TYR  17   3.187  -9.020   4.051
  120    HE2  TYR  17           2HE      TYR  17   0.550 -11.104   1.422
  121    HH   TYR  17           HH       TYR  17   3.343 -11.199   3.625
  122    H    CYS  18           H        CYS  18  -0.124  -3.816   3.924
  123    HA   CYS  18           HA       CYS  18  -2.053  -2.173   2.431
  124   1HB   CYS  18          1HB       CYS  18  -2.430  -2.060   4.812
  125   2HB   CYS  18          2HB       CYS  18  -0.719  -1.708   5.108
  126    H    CYS  19           H        CYS  19  -1.200  -1.149   0.775
  127    HA   CYS  19           HA       CYS  19   1.215   0.422   1.159
  128   1HB   CYS  19          1HB       CYS  19   0.904  -1.585  -1.095
  129   2HB   CYS  19          2HB       CYS  19   2.158  -0.336  -1.026
  130    H    GLN  20           H        GLN  20   1.342   2.178  -0.343
  131    HA   GLN  20           HA       GLN  20  -1.244   2.968  -1.343
  132   1HB   GLN  20          1HB       GLN  20   0.470   4.888  -2.265
  133   2HB   GLN  20          2HB       GLN  20  -0.328   4.913  -0.674
  134   1HG   GLN  20          1HG       GLN  20   2.209   3.398  -0.857
  135   2HG   GLN  20          2HG       GLN  20   2.326   5.163  -1.029
  136   1HE2  GLN  20          1HE2      GLN  20   3.229   3.355   1.126
  137   2HE2  GLN  20          2HE2      GLN  20   2.491   3.955   2.580
  138    H    SER  21           H        SER  21  -1.885   2.000  -3.076
  139    HA   SER  21           HA       SER  21  -0.104   1.906  -5.419
  140   1HB   SER  21          1HB       SER  21  -2.242  -0.107  -5.396
  141   2HB   SER  21          2HB       SER  21  -0.508  -0.291  -5.751
  142    HG   SER  21           HG       SER  21  -1.232   0.177  -3.087
  143    H    MET  22           H        MET  22  -3.116   2.805  -4.094
  144    HA   MET  22           HA       MET  22  -4.414   3.144  -6.665
  145   1HB   MET  22          1HB       MET  22  -5.479   2.566  -4.333
  146   2HB   MET  22          2HB       MET  22  -5.456   4.333  -4.128
  147   1HG   MET  22          1HG       MET  22  -7.242   4.586  -5.428
  148   2HG   MET  22          2HG       MET  22  -6.523   3.609  -6.719
  149   1HE   MET  22          1HE       MET  22  -8.834   2.266  -3.093
  150   2HE   MET  22          2HE       MET  22  -8.315   3.886  -3.561
  151   3HE   MET  22          3HE       MET  22  -9.825   3.226  -4.192
  152    H    SER  23           H        SER  23  -2.655   4.512  -7.388
  153    HA   SER  23           HA       SER  23  -2.399   7.181  -6.352
  154   1HB   SER  23          1HB       SER  23  -1.312   7.000  -8.975
  155   2HB   SER  23          2HB       SER  23  -0.440   6.993  -7.423
  156    HG   SER  23           HG       SER  23   0.052   5.006  -7.953
  157    H    GLY  24           H        GLY  24  -5.048   6.362  -7.180
  158   1HA   GLY  24          1HA       GLY  24  -6.344   8.396  -8.160
  159   2HA   GLY  24          2HA       GLY  24  -5.541   7.875  -9.636
  160    HA   PRO  25           HA       PRO  25  -8.877   4.599  -8.123
  161   1HB   PRO  25          1HB       PRO  25 -11.177   5.932  -7.351
  162   2HB   PRO  25          2HB       PRO  25  -9.915   5.339  -6.223
  163   1HG   PRO  25          1HG       PRO  25 -10.266   8.080  -7.348
  164   2HG   PRO  25          2HG       PRO  25  -9.961   7.599  -5.647
  165   1HD   PRO  25          1HD       PRO  25  -7.983   8.508  -7.240
  166   2HD   PRO  25          2HD       PRO  25  -7.693   7.148  -6.114
  167    H    ALA  26           H        ALA  26  -9.567   3.882 -10.003
  168    HA   ALA  26           HA       ALA  26 -10.573   3.691 -12.018
  169   1HB   ALA  26          1HB       ALA  26 -12.685   4.168 -11.352
  170   2HB   ALA  26          2HB       ALA  26 -12.241   5.731 -10.666
  171   3HB   ALA  26          3HB       ALA  26 -12.436   5.555 -12.411
  172    H    GLY  27           H        GLY  27  -8.136   5.084 -11.899
  173   1HA   GLY  27          1HA       GLY  27  -8.100   7.433 -13.449
  174   2HA   GLY  27          2HA       GLY  27  -6.768   6.294 -13.295
  175    H    SER  28           H        SER  28  -8.549   7.779 -15.517
  176    HA   SER  28           HA       SER  28  -8.811   5.424 -17.267
  177   1HB   SER  28          1HB       SER  28 -10.111   8.046 -17.905
  178   2HB   SER  28          2HB       SER  28 -10.657   6.391 -18.269
  179    HG   SER  28           HG       SER  28 -10.506   6.753 -15.595
  180    HA   PRO  29           HA       PRO  29  -5.635   6.959 -19.956
  181   1HB   PRO  29          1HB       PRO  29  -7.231   5.903 -22.238
  182   2HB   PRO  29          2HB       PRO  29  -5.610   5.434 -21.629
  183   1HG   PRO  29          1HG       PRO  29  -7.758   3.877 -21.320
  184   2HG   PRO  29          2HG       PRO  29  -6.418   3.914 -20.128
  185   1HD   PRO  29          1HD       PRO  29  -9.158   5.181 -20.048
  186   2HD   PRO  29          2HD       PRO  29  -8.201   4.441 -18.729
  187    H    GLY  30           H        GLY  30  -5.249   8.795 -21.030
  188   1HA   GLY  30          1HA       GLY  30  -6.991  10.097 -22.819
  189   2HA   GLY  30          2HA       GLY  30  -7.159  10.826 -21.224
  190    H    LEU  31           H        LEU  31  -5.050  11.386 -20.142
  191    HA   LEU  31           HA       LEU  31  -3.233  12.668 -22.009
  192   1HB   LEU  31          1HB       LEU  31  -3.894  12.915 -19.203
  193   2HB   LEU  31          2HB       LEU  31  -2.136  12.736 -19.415
  194    HG   LEU  31           HG       LEU  31  -3.861  14.832 -20.751
  195   1HD1  LEU  31          1HD1      LEU  31  -1.759  15.506 -18.781
  196   2HD1  LEU  31          2HD1      LEU  31  -3.292  16.309 -19.129
  197   3HD1  LEU  31          3HD1      LEU  31  -3.265  14.835 -18.159
  198   1HD2  LEU  31          1HD2      LEU  31  -1.944  15.687 -21.733
  199   2HD2  LEU  31          2HD2      LEU  31  -0.871  14.836 -20.622
  200   3HD2  LEU  31          3HD2      LEU  31  -1.708  13.947 -21.894
  201    H    LEU  32           H        LEU  32  -3.331  10.017 -19.720
  202    HA   LEU  32           HA       LEU  32  -0.757   9.007 -20.644
  203   1HB   LEU  32          1HB       LEU  32  -2.329   8.736 -18.276
  204   2HB   LEU  32          2HB       LEU  32  -2.146   7.124 -19.008
  205    HG   LEU  32           HG       LEU  32   0.127   8.982 -18.272
  206   1HD1  LEU  32          1HD1      LEU  32  -1.351   7.762 -16.464
  207   2HD1  LEU  32          2HD1      LEU  32  -0.359   6.382 -16.928
  208   3HD1  LEU  32          3HD1      LEU  32   0.405   7.851 -16.318
  209   1HD2  LEU  32          1HD2      LEU  32   1.564   7.097 -18.760
  210   2HD2  LEU  32          2HD2      LEU  32   0.169   6.109 -19.194
  211   3HD2  LEU  32          3HD2      LEU  32   0.606   7.503 -20.183
  212    H    ASN  33           H        ASN  33  -0.822   8.019 -22.573
  213    HA   ASN  33           HA       ASN  33  -3.190   6.442 -23.279
  214   1HB   ASN  33          1HB       ASN  33  -2.554   6.596 -25.549
  215   2HB   ASN  33          2HB       ASN  33  -2.247   8.207 -24.864
  216   1HD2  ASN  33          1HD2      ASN  33  -1.063   6.142 -26.989
  217   2HD2  ASN  33          2HD2      ASN  33   0.643   6.442 -26.838
  218    H    LEU  34           H        LEU  34  -0.959   5.764 -21.405
  219    HA   LEU  34           HA       LEU  34  -0.451   3.090 -22.495
  220   1HB   LEU  34          1HB       LEU  34   1.499   5.084 -21.930
  221   2HB   LEU  34          2HB       LEU  34   1.634   3.832 -20.673
  222    HG   LEU  34           HG       LEU  34   1.531   2.306 -22.926
  223   1HD1  LEU  34          1HD1      LEU  34   3.488   3.783 -24.163
  224   2HD1  LEU  34          2HD1      LEU  34   1.824   3.595 -24.718
  225   3HD1  LEU  34          3HD1      LEU  34   2.276   4.994 -23.745
  226   1HD2  LEU  34          1HD2      LEU  34   4.115   2.416 -22.710
  227   2HD2  LEU  34          2HD2      LEU  34   3.780   3.466 -21.333
  228   3HD2  LEU  34          3HD2      LEU  34   3.156   1.816 -21.356
  229    H    ILE  35           H        ILE  35  -0.318   1.446 -20.865
  230    HA   ILE  35           HA       ILE  35  -1.752   2.187 -18.425
  231    HB   ILE  35           HB       ILE  35  -1.491  -0.574 -18.393
  232   1HG1  ILE  35          1HG1      ILE  35  -2.495   0.037 -21.146
  233   2HG1  ILE  35          2HG1      ILE  35  -0.738  -0.090 -20.888
  234   1HG2  ILE  35          1HG2      ILE  35  -3.936   0.319 -19.680
  235   2HG2  ILE  35          2HG2      ILE  35  -3.691  -0.420 -18.098
  236   3HG2  ILE  35          3HG2      ILE  35  -3.490   1.320 -18.298
  237   1HD1  ILE  35          1HD1      ILE  35  -2.459  -2.172 -21.428
  238   2HD1  ILE  35          2HD1      ILE  35  -0.828  -2.316 -20.772
  239   3HD1  ILE  35          3HD1      ILE  35  -2.217  -2.292 -19.686
  240    HA   PRO  36           HA       PRO  36   2.284   1.909 -16.526
  241   1HB   PRO  36          1HB       PRO  36   1.510   2.718 -14.020
  242   2HB   PRO  36          2HB       PRO  36   1.722   3.835 -15.407
  243   1HG   PRO  36          1HG       PRO  36  -0.792   2.630 -14.352
  244   2HG   PRO  36          2HG       PRO  36  -0.472   4.334 -14.812
  245   1HD   PRO  36          1HD       PRO  36  -1.776   2.571 -16.432
  246   2HD   PRO  36          2HD       PRO  36  -0.690   3.836 -17.083
  247    H    VAL  37           H        VAL  37   3.088  -0.016 -16.059
  248    HA   VAL  37           HA       VAL  37   2.194  -1.433 -13.708
  249    HB   VAL  37           HB       VAL  37   2.487  -3.580 -15.409
  250   1HG1  VAL  37          1HG1      VAL  37   0.936  -3.446 -13.563
  251   2HG1  VAL  37          2HG1      VAL  37  -0.059  -2.293 -14.450
  252   3HG1  VAL  37          3HG1      VAL  37   0.091  -3.952 -15.027
  253   1HG2  VAL  37          1HG2      VAL  37   1.800  -1.449 -17.086
  254   2HG2  VAL  37          2HG2      VAL  37   1.785  -3.169 -17.473
  255   3HG2  VAL  37          3HG2      VAL  37   0.323  -2.389 -16.872
  256    H    ASP  38           H        ASP  38   3.968  -2.072 -12.654
  257    HA   ASP  38           HA       ASP  38   6.469  -2.357 -14.127
  258   1HB   ASP  38          1HB       ASP  38   6.362  -1.111 -11.926
  259   2HB   ASP  38          2HB       ASP  38   6.042  -2.675 -11.145
  260    H    LEU  39           H        LEU  39   7.031  -4.230 -14.915
  261    HA   LEU  39           HA       LEU  39   5.874  -6.672 -13.762
  262   1HB   LEU  39          1HB       LEU  39   6.489  -7.710 -15.964
  263   2HB   LEU  39          2HB       LEU  39   5.244  -6.440 -16.046
  264    HG   LEU  39           HG       LEU  39   7.995  -5.486 -16.477
  265   1HD1  LEU  39          1HD1      LEU  39   8.580  -7.197 -17.808
  266   2HD1  LEU  39          2HD1      LEU  39   6.914  -7.743 -18.013
  267   3HD1  LEU  39          3HD1      LEU  39   7.524  -6.397 -18.972
  268   1HD2  LEU  39          1HD2      LEU  39   5.256  -5.022 -17.499
  269   2HD2  LEU  39          2HD2      LEU  39   6.494  -3.869 -17.006
  270   3HD2  LEU  39          3HD2      LEU  39   6.596  -4.651 -18.583
  271    H    SER  40           H        SER  40   8.442  -4.961 -13.251
  272    HA   SER  40           HA       SER  40  10.369  -7.179 -13.421
  273   1HB   SER  40          1HB       SER  40  11.627  -4.679 -12.774
  274   2HB   SER  40          2HB       SER  40  11.842  -5.695 -14.220
  275    HG   SER  40           HG       SER  40   9.791  -3.740 -13.817
  276    H    ALA  41           H        ALA  41   8.306  -5.897 -11.276
  277    HA   ALA  41           HA       ALA  41  10.152  -6.274  -9.019
  278   1HB   ALA  41          1HB       ALA  41   7.908  -4.301  -8.878
  279   2HB   ALA  41          2HB       ALA  41   9.371  -4.403  -7.896
  280   3HB   ALA  41          3HB       ALA  41   9.467  -3.846  -9.566
  281    H    SER  42           H        SER  42   9.339  -7.284  -7.220
  282    HA   SER  42           HA       SER  42   6.752  -8.586  -7.501
  283   1HB   SER  42          1HB       SER  42   8.677  -8.928  -5.194
  284   2HB   SER  42          2HB       SER  42   7.443 -10.066  -5.787
  285    HG   SER  42           HG       SER  42   8.700 -10.514  -7.556
  286    H    LEU  43           H        LEU  43   6.208  -8.814  -4.684
  287    HA   LEU  43           HA       LEU  43   5.025  -6.161  -4.377
  288   1HB   LEU  43          1HB       LEU  43   4.213  -8.886  -3.774
  289   2HB   LEU  43          2HB       LEU  43   3.987  -7.795  -2.386
  290    HG   LEU  43           HG       LEU  43   2.005  -8.090  -3.952
  291   1HD1  LEU  43          1HD1      LEU  43   1.429  -5.689  -3.876
  292   2HD1  LEU  43          2HD1      LEU  43   2.075  -6.298  -2.352
  293   3HD1  LEU  43          3HD1      LEU  43   3.096  -5.334  -3.419
  294   1HD2  LEU  43          1HD2      LEU  43   2.098  -7.504  -6.105
  295   2HD2  LEU  43          2HD2      LEU  43   3.007  -6.033  -5.760
  296   3HD2  LEU  43          3HD2      LEU  43   3.852  -7.575  -5.913
  297    H    GLY  44           H        GLY  44   6.261  -4.805  -3.283
  298   1HA   GLY  44          1HA       GLY  44   7.688  -5.736  -0.899
  299   2HA   GLY  44          2HA       GLY  44   7.877  -4.170  -1.678
  300    H    CYS  45           H        CYS  45   5.695  -6.115   0.300
  301    HA   CYS  45           HA       CYS  45   4.483  -3.624   1.284
  302   1HB   CYS  45          1HB       CYS  45   3.183  -6.062   0.167
  303   2HB   CYS  45          2HB       CYS  45   2.391  -5.250   1.527
  304    H    VAL  46           H        VAL  46   3.395  -3.877   3.390
  305    HA   VAL  46           HA       VAL  46   4.670  -5.988   4.993
  306    HB   VAL  46           HB       VAL  46   5.134  -3.334   5.295
  307   1HG1  VAL  46          1HG1      VAL  46   3.374  -3.748   7.640
  308   2HG1  VAL  46          2HG1      VAL  46   3.825  -2.262   6.803
  309   3HG1  VAL  46          3HG1      VAL  46   2.597  -3.325   6.113
  310   1HG2  VAL  46          1HG2      VAL  46   6.390  -5.152   6.298
  311   2HG2  VAL  46          2HG2      VAL  46   6.042  -3.894   7.482
  312   3HG2  VAL  46          3HG2      VAL  46   5.113  -5.393   7.490
  313    H    VAL  47           H        VAL  47   3.458  -6.709   6.851
  314    HA   VAL  47           HA       VAL  47   0.825  -7.408   6.045
  315    HB   VAL  47           HB       VAL  47   0.842  -8.251   8.598
  316   1HG1  VAL  47          1HG1      VAL  47   1.737  -9.355   6.034
  317   2HG1  VAL  47          2HG1      VAL  47   2.315 -10.224   7.457
  318   3HG1  VAL  47          3HG1      VAL  47   0.584  -9.992   7.206
  319   1HG2  VAL  47          1HG2      VAL  47   3.656  -8.827   8.172
  320   2HG2  VAL  47          2HG2      VAL  47   3.351  -7.106   8.410
  321   3HG2  VAL  47          3HG2      VAL  47   2.824  -8.271   9.624
  322    H    GLY  48           H        GLY  48  -1.046  -6.485   6.467
  323   1HA   GLY  48          1HA       GLY  48  -1.136  -4.138   8.174
  324   2HA   GLY  48          2HA       GLY  48  -2.434  -4.745   7.153
  325    H    VAL  49           H        VAL  49  -1.156  -4.614  10.295
  326    HA   VAL  49           HA       VAL  49  -2.403  -6.943  11.359
  327    HB   VAL  49           HB       VAL  49  -2.042  -5.625  13.589
  328   1HG1  VAL  49          1HG1      VAL  49   0.053  -6.596  13.779
  329   2HG1  VAL  49          2HG1      VAL  49  -0.707  -7.545  12.504
  330   3HG1  VAL  49          3HG1      VAL  49   0.461  -6.290  12.091
  331   1HG2  VAL  49          1HG2      VAL  49  -0.716  -3.760  13.584
  332   2HG2  VAL  49          2HG2      VAL  49   0.033  -4.160  12.038
  333   3HG2  VAL  49          3HG2      VAL  49  -1.605  -3.508  12.082
  334    H    ILE  50           H        ILE  50  -4.312  -7.191  12.388
  335    HA   ILE  50           HA       ILE  50  -6.426  -5.469  11.649
  336    HB   ILE  50           HB       ILE  50  -6.256  -7.899  13.406
  337   1HG1  ILE  50          1HG1      ILE  50  -8.169  -8.310  11.476
  338   2HG1  ILE  50          2HG1      ILE  50  -7.006  -7.252  10.642
  339   1HG2  ILE  50          1HG2      ILE  50  -7.977  -6.978  14.572
  340   2HG2  ILE  50          2HG2      ILE  50  -8.475  -5.943  13.234
  341   3HG2  ILE  50          3HG2      ILE  50  -8.894  -7.656  13.226
  342   1HD1  ILE  50          1HD1      ILE  50  -6.240  -9.801  12.062
  343   2HD1  ILE  50          2HD1      ILE  50  -6.604  -9.698  10.339
  344   3HD1  ILE  50          3HD1      ILE  50  -5.232  -8.813  11.005
  345    H    GLY  51           H        GLY  51  -7.087  -3.678  12.573
  346   1HA   GLY  51          1HA       GLY  51  -7.991  -2.675  14.619
  347   2HA   GLY  51          2HA       GLY  51  -6.596  -3.325  15.466
  348    H    SER  52           H        SER  52  -5.142  -2.478  12.806
  349    HA   SER  52           HA       SER  52  -4.569   0.217  13.793
  350   1HB   SER  52          1HB       SER  52  -2.920  -1.409  11.845
  351   2HB   SER  52          2HB       SER  52  -2.413   0.023  12.774
  352    HG   SER  52           HG       SER  52  -1.659  -1.583  14.016
  353    H    GLN  53           H        GLN  53  -4.647   2.002  12.484
  354    HA   GLN  53           HA       GLN  53  -6.351   1.730  10.154
  355   1HB   GLN  53          1HB       GLN  53  -5.199   4.331  11.138
  356   2HB   GLN  53          2HB       GLN  53  -6.734   4.037  10.286
  357   1HG   GLN  53          1HG       GLN  53  -7.725   4.163  12.275
  358   2HG   GLN  53          2HG       GLN  53  -6.991   2.587  12.640
  359   1HE2  GLN  53          1HE2      GLN  53  -7.455   5.546  13.867
  360   2HE2  GLN  53          2HE2      GLN  53  -6.043   5.695  14.863
  361    H    CYS  54           H        CYS  54  -5.815   2.298   8.093
  362    HA   CYS  54           HA       CYS  54  -3.004   2.992   7.568
  363   1HB   CYS  54          1HB       CYS  54  -4.352   0.595   6.873
  364   2HB   CYS  54          2HB       CYS  54  -4.169   1.528   5.378
  365    H    GLY  55           H        GLY  55  -2.667   4.479   5.910
  366   1HA   GLY  55          1HA       GLY  55  -5.122   5.770   4.905
  367   2HA   GLY  55          2HA       GLY  55  -3.550   6.548   5.048
  368    H    ALA  56           H        ALA  56  -3.610   3.349   3.835
  369    HA   ALA  56           HA       ALA  56  -3.205   4.362   1.101
  370   1HB   ALA  56          1HB       ALA  56  -1.177   3.500   2.577
  371   2HB   ALA  56          2HB       ALA  56  -1.747   1.938   1.985
  372   3HB   ALA  56          3HB       ALA  56  -1.271   3.194   0.843
  373    H    SER  57           H        SER  57  -2.903   1.993  -0.210
  374    HA   SER  57           HA       SER  57  -5.607   0.962  -0.170
  375   1HB   SER  57          1HB       SER  57  -3.718  -0.247  -2.066
  376   2HB   SER  57          2HB       SER  57  -5.272   0.567  -2.371
  377    HG   SER  57           HG       SER  57  -4.059   2.592  -1.963
  378    H    VAL  58           H        VAL  58  -6.129  -1.253   0.079
  379    HA   VAL  58           HA       VAL  58  -4.004  -2.869   1.328
  380    HB   VAL  58           HB       VAL  58  -6.922  -3.061   2.083
  381   1HG1  VAL  58          1HG1      VAL  58  -4.646  -4.658   2.613
  382   2HG1  VAL  58          2HG1      VAL  58  -5.090  -3.859   4.123
  383   3HG1  VAL  58          3HG1      VAL  58  -6.277  -4.835   3.258
  384   1HG2  VAL  58          1HG2      VAL  58  -4.851  -1.172   3.025
  385   2HG2  VAL  58          2HG2      VAL  58  -6.607  -1.011   2.998
  386   3HG2  VAL  58          3HG2      VAL  58  -5.825  -1.951   4.271
  387    H    LYS  59           H        LYS  59  -3.588  -4.668   0.258
  388    HA   LYS  59           HA       LYS  59  -5.773  -5.951  -1.231
  389   1HB   LYS  59          1HB       LYS  59  -4.550  -6.216  -3.154
  390   2HB   LYS  59          2HB       LYS  59  -3.931  -4.645  -2.591
  391   1HG   LYS  59          1HG       LYS  59  -1.934  -5.667  -1.738
  392   2HG   LYS  59          2HG       LYS  59  -2.570  -7.296  -2.069
  393   1HD   LYS  59          1HD       LYS  59  -1.878  -5.161  -4.113
  394   2HD   LYS  59          2HD       LYS  59  -0.987  -6.670  -3.801
  395   1HE   LYS  59          1HE       LYS  59  -2.722  -8.006  -4.687
  396   2HE   LYS  59          2HE       LYS  59  -3.895  -6.672  -4.625
  397   1HZ   LYS  59          1HZ       LYS  59  -1.484  -6.462  -6.330
  398   2HZ   LYS  59          2HZ       LYS  59  -2.981  -5.676  -6.490
  399   3HZ   LYS  59          3HZ       LYS  59  -2.839  -7.322  -6.872
  400    H    CYS  60           H        CYS  60  -5.461  -8.270  -1.545
  401    HA   CYS  60           HA       CYS  60  -4.053  -9.398   0.774
  402   1HB   CYS  60          1HB       CYS  60  -6.634  -9.971  -0.562
  403   2HB   CYS  60          2HB       CYS  60  -5.712 -11.392  -0.045
  404    H    CYS  61           H        CYS  61  -2.426 -10.785   0.477
  405    HA   CYS  61           HA       CYS  61  -2.085 -11.960  -2.200
  406   1HB   CYS  61          1HB       CYS  61  -0.038 -10.581  -0.466
  407   2HB   CYS  61          2HB       CYS  61   0.436 -11.739  -1.721
  408    H    LYS  62           H        LYS  62  -1.422 -14.026  -2.304
  409    HA   LYS  62           HA       LYS  62  -0.863 -15.436   0.221
  410   1HB   LYS  62          1HB       LYS  62  -3.105 -15.967  -0.671
  411   2HB   LYS  62          2HB       LYS  62  -2.353 -16.475  -2.203
  412   1HG   LYS  62          1HG       LYS  62  -1.000 -18.065  -0.527
  413   2HG   LYS  62          2HG       LYS  62  -2.493 -17.865   0.421
  414   1HD   LYS  62          1HD       LYS  62  -2.618 -18.558  -2.506
  415   2HD   LYS  62          2HD       LYS  62  -2.318 -19.820  -1.288
  416   1HE   LYS  62          1HE       LYS  62  -4.655 -17.899  -1.144
  417   2HE   LYS  62          2HE       LYS  62  -4.741 -19.474  -1.963
  418   1HZ   LYS  62          1HZ       LYS  62  -5.494 -19.970   0.142
  419   2HZ   LYS  62          2HZ       LYS  62  -4.437 -18.885   0.909
  420   3HZ   LYS  62          3HZ       LYS  62  -3.844 -20.349   0.291
  421    H    ASP  63           H        ASP  63   0.981 -16.503   0.267
  422    HA   ASP  63           HA       ASP  63   2.266 -17.901  -1.741
  423   1HB   ASP  63          1HB       ASP  63   3.924 -16.482  -2.640
  424   2HB   ASP  63          2HB       ASP  63   2.432 -15.521  -2.723
  425    H    ASP  64           H        ASP  64   4.622 -18.324  -1.155
  426    HA   ASP  64           HA       ASP  64   4.866 -18.328   1.754
  427   1HB   ASP  64          1HB       ASP  64   5.332 -20.451   0.630
  428   2HB   ASP  64          2HB       ASP  64   6.573 -19.666  -0.370
  429    H    VAL  65           H        VAL  65   5.501 -16.345   2.389
  430    HA   VAL  65           HA       VAL  65   7.599 -14.939   0.986
  431    HB   VAL  65           HB       VAL  65   6.268 -14.313   3.608
  432   1HG1  VAL  65          1HG1      VAL  65   8.693 -13.390   2.739
  433   2HG1  VAL  65          2HG1      VAL  65   7.581 -12.129   2.207
  434   3HG1  VAL  65          3HG1      VAL  65   7.646 -12.585   3.909
  435   1HG2  VAL  65          1HG2      VAL  65   4.624 -14.033   1.959
  436   2HG2  VAL  65          2HG2      VAL  65   5.287 -12.415   2.188
  437   3HG2  VAL  65          3HG2      VAL  65   5.779 -13.379   0.797
  438    H    THR  66           H        THR  66   9.624 -15.420   1.266
  439    HA   THR  66           HA       THR  66  10.500 -16.360   3.901
  440    HB   THR  66           HB       THR  66  12.458 -16.777   1.808
  441    HG1  THR  66           1HG      THR  66   9.940 -18.115   1.521
  442   1HG2  THR  66          1HG2      THR  66  11.058 -18.308   3.944
  443   2HG2  THR  66          2HG2      THR  66  12.788 -18.058   3.690
  444   3HG2  THR  66          3HG2      THR  66  11.903 -19.210   2.687
  445    H    ASN  67           H        ASN  67  11.854 -15.113   5.002
  446    HA   ASN  67           HA       ASN  67  12.202 -12.446   3.996
  447   1HB   ASN  67          1HB       ASN  67  12.310 -13.812   6.589
  448   2HB   ASN  67          2HB       ASN  67  13.522 -12.525   6.416
  449   1HD2  ASN  67          1HD2      ASN  67  12.890 -10.493   6.710
  450   2HD2  ASN  67          2HD2      ASN  67  11.249  -9.951   6.823
  451    H    THR  68           H        THR  68  13.768 -12.035   2.632
  452    HA   THR  68           HA       THR  68  16.243 -13.532   2.655
  453    HB   THR  68           HB       THR  68  16.643 -11.884   0.640
  454    HG1  THR  68           1HG      THR  68  14.594 -11.225  -0.251
  455   1HG2  THR  68          1HG2      THR  68  14.544 -13.532  -0.326
  456   2HG2  THR  68          2HG2      THR  68  15.378 -14.417   0.949
  457   3HG2  THR  68          3HG2      THR  68  16.285 -13.806  -0.434
  458    H    GLY  69           H        GLY  69  16.450 -12.337   4.941
  459   1HA   GLY  69          1HA       GLY  69  17.766 -10.934   6.201
  460   2HA   GLY  69          2HA       GLY  69  18.669 -10.606   4.729
  461    H    ASN  70           H        ASN  70  15.365  -9.911   5.860
  462    HA   ASN  70           HA       ASN  70  15.848  -7.076   5.285
  463   1HB   ASN  70          1HB       ASN  70  14.345  -8.815   3.619
  464   2HB   ASN  70          2HB       ASN  70  13.184  -7.759   4.454
  465   1HD2  ASN  70          1HD2      ASN  70  15.543  -7.997   2.000
  466   2HD2  ASN  70          2HD2      ASN  70  15.505  -6.346   1.484
  467    H    SER  71           H        SER  71  14.304  -5.647   6.267
  468    HA   SER  71           HA       SER  71  13.569  -6.450   8.887
  469   1HB   SER  71          1HB       SER  71  12.264  -4.011   7.995
  470   2HB   SER  71          2HB       SER  71  13.532  -4.228   9.225
  471    HG   SER  71           HG       SER  71  13.736  -3.448   6.576
  472    H    PHE  72           H        PHE  72  11.781  -5.921   5.888
  473    HA   PHE  72           HA       PHE  72   9.341  -6.858   7.237
  474   1HB   PHE  72          1HB       PHE  72   8.028  -5.573   5.776
  475   2HB   PHE  72          2HB       PHE  72   9.385  -4.518   6.204
  476    HD1  PHE  72           1HD      PHE  72  11.415  -4.592   4.531
  477    HD2  PHE  72           2HD      PHE  72   7.457  -5.806   3.561
  478    HE1  PHE  72           1HE      PHE  72  11.901  -4.258   2.144
  479    HE2  PHE  72           2HE      PHE  72   7.932  -5.472   1.176
  480    HZ   PHE  72           HZ       PHE  72  10.159  -4.699   0.460
  481    H    LEU  73           H        LEU  73   7.776  -7.837   5.476
  482    HA   LEU  73           HA       LEU  73   9.247 -10.126   4.434
  483   1HB   LEU  73          1HB       LEU  73   6.491 -10.501   4.015
  484   2HB   LEU  73          2HB       LEU  73   7.521 -11.253   5.257
  485    HG   LEU  73           HG       LEU  73   6.988  -9.002   6.548
  486   1HD1  LEU  73          1HD1      LEU  73   4.370  -9.310   5.168
  487   2HD1  LEU  73          2HD1      LEU  73   5.041  -7.921   6.025
  488   3HD1  LEU  73          3HD1      LEU  73   5.624  -8.328   4.408
  489   1HD2  LEU  73          1HD2      LEU  73   5.010 -10.175   7.540
  490   2HD2  LEU  73          2HD2      LEU  73   5.177 -11.391   6.275
  491   3HD2  LEU  73          3HD2      LEU  73   6.477 -11.151   7.445
  492    H    ILE  74           H        ILE  74   9.759 -10.252   2.349
  493    HA   ILE  74           HA       ILE  74   8.445  -8.524   0.424
  494    HB   ILE  74           HB       ILE  74  10.839  -8.626   0.238
  495   1HG1  ILE  74          1HG1      ILE  74   9.964 -10.355  -2.051
  496   2HG1  ILE  74          2HG1      ILE  74   9.249  -8.739  -1.840
  497   1HG2  ILE  74          1HG2      ILE  74  11.697 -11.016  -0.619
  498   2HG2  ILE  74          2HG2      ILE  74  11.724 -10.530   1.076
  499   3HG2  ILE  74          3HG2      ILE  74  10.411 -11.539   0.468
  500   1HD1  ILE  74          1HD1      ILE  74  11.276  -8.962  -3.387
  501   2HD1  ILE  74          2HD1      ILE  74  11.303  -7.668  -2.190
  502   3HD1  ILE  74          3HD1      ILE  74  12.227  -9.145  -1.915
  503    H    ILE  75           H        ILE  75   6.866  -9.139  -0.883
  504    HA   ILE  75           HA       ILE  75   5.940 -11.904  -0.700
  505    HB   ILE  75           HB       ILE  75   4.535  -9.512  -1.898
  506   1HG1  ILE  75          1HG1      ILE  75   3.349 -10.328   0.545
  507   2HG1  ILE  75          2HG1      ILE  75   5.097 -10.159   0.834
  508   1HG2  ILE  75          1HG2      ILE  75   3.781 -11.814  -2.580
  509   2HG2  ILE  75          2HG2      ILE  75   3.318 -12.070  -0.897
  510   3HG2  ILE  75          3HG2      ILE  75   2.552 -10.790  -1.839
  511   1HD1  ILE  75          1HD1      ILE  75   3.931  -7.959  -0.701
  512   2HD1  ILE  75          2HD1      ILE  75   3.272  -8.127   0.926
  513   3HD1  ILE  75          3HD1      ILE  75   5.009  -7.931   0.695
  514    H    ASN  76           H        ASN  76   5.841 -13.276  -2.384
  515    HA   ASN  76           HA       ASN  76   7.423 -12.747  -4.696
  516   1HB   ASN  76          1HB       ASN  76   5.542 -15.015  -3.997
  517   2HB   ASN  76          2HB       ASN  76   6.508 -14.973  -5.488
  518   1HD2  ASN  76          1HD2      ASN  76   6.598 -15.235  -2.004
  519   2HD2  ASN  76          2HD2      ASN  76   8.212 -15.869  -1.907
  520    H    ALA  77           H        ALA  77   4.174 -12.177  -3.908
  521    HA   ALA  77           HA       ALA  77   2.369 -11.384  -5.024
  522   1HB   ALA  77          1HB       ALA  77   4.528 -10.693  -6.996
  523   2HB   ALA  77          2HB       ALA  77   2.831 -10.343  -7.323
  524   3HB   ALA  77          3HB       ALA  77   3.625  -9.624  -5.921
  525    H    ALA  78           H        ALA  78   3.108 -14.163  -5.173
  526    HA   ALA  78           HA       ALA  78   2.658 -15.186  -7.779
  527   1HB   ALA  78          1HB       ALA  78   2.343 -17.352  -6.630
  528   2HB   ALA  78          2HB       ALA  78   3.811 -16.512  -6.123
  529   3HB   ALA  78          3HB       ALA  78   2.387 -16.508  -5.082
  530    H    ASN  79           H        ASN  79   0.555 -15.161  -4.898
  531    HA   ASN  79           HA       ASN  79  -1.770 -15.151  -6.713
  532   1HB   ASN  79          1HB       ASN  79  -1.820 -16.192  -3.876
  533   2HB   ASN  79          2HB       ASN  79  -3.016 -16.450  -5.165
  534   1HD2  ASN  79          1HD2      ASN  79   0.047 -17.430  -3.844
  535   2HD2  ASN  79          2HD2      ASN  79   0.233 -18.863  -4.805
  536    H    CYS  80           H        CYS  80  -1.797 -12.858  -6.739
  537    HA   CYS  80           HA       CYS  80  -2.534 -11.647  -4.153
  538   1HB   CYS  80          1HB       CYS  80  -1.010 -10.517  -6.500
  539   2HB   CYS  80          2HB       CYS  80  -1.769  -9.471  -5.289
  540    H    VAL  81           H        VAL  81  -4.431 -10.581  -4.015
  541    HA   VAL  81           HA       VAL  81  -5.911 -10.131  -6.508
  542    HB   VAL  81           HB       VAL  81  -6.934 -12.087  -5.850
  543   1HG1  VAL  81          1HG1      VAL  81  -5.806 -11.638  -3.394
  544   2HG1  VAL  81          2HG1      VAL  81  -7.536 -11.567  -3.053
  545   3HG1  VAL  81          3HG1      VAL  81  -6.846 -12.997  -3.820
  546   1HG2  VAL  81          1HG2      VAL  81  -8.813 -10.530  -4.217
  547   2HG2  VAL  81          2HG2      VAL  81  -8.437  -9.846  -5.799
  548   3HG2  VAL  81          3HG2      VAL  81  -9.090 -11.480  -5.676
  549    H    ALA  82           H        ALA  82  -7.180  -8.413  -6.585
  550    HA   ALA  82           HA       ALA  82  -7.946  -6.883  -4.282
  551   1HB   ALA  82          1HB       ALA  82  -6.727  -4.919  -4.649
  552   2HB   ALA  82          2HB       ALA  82  -5.527  -6.200  -4.822
  553   3HB   ALA  82          3HB       ALA  82  -6.209  -5.431  -6.255
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  -9.465   7.250   5.400
    2   2H    ALA   1          2H        ALA   1  -8.830   7.967   6.794
    3   3H    ALA   1          3H        ALA   1 -10.174   6.938   6.905
    4    HA   ALA   1           HA       ALA   1  -7.546   6.034   5.902
    5   1HB   ALA   1          1HB       ALA   1  -6.782   5.584   7.987
    6   2HB   ALA   1          2HB       ALA   1  -7.857   6.906   8.435
    7   3HB   ALA   1          3HB       ALA   1  -8.393   5.235   8.617
    8    H    THR   2           H        THR   2  -7.435   3.784   5.678
    9    HA   THR   2           HA       THR   2 -10.019   2.470   5.347
   10    HB   THR   2           HB       THR   2  -7.871   0.716   4.714
   11    HG1  THR   2           1HG      THR   2  -7.557   3.366   3.678
   12   1HG2  THR   2          1HG2      THR   2  -8.746   1.440   2.312
   13   2HG2  THR   2          2HG2      THR   2 -10.035   2.160   3.275
   14   3HG2  THR   2          3HG2      THR   2  -9.712   0.430   3.387
   15    H    THR   3           H        THR   3 -10.636   0.650   6.504
   16    HA   THR   3           HA       THR   3  -9.036   0.154   8.914
   17    HB   THR   3           HB       THR   3 -11.809  -0.917   8.568
   18    HG1  THR   3           1HG      THR   3 -11.625   1.467   8.047
   19   1HG2  THR   3          1HG2      THR   3 -11.843  -0.984  10.880
   20   2HG2  THR   3          2HG2      THR   3 -10.652   0.306  11.040
   21   3HG2  THR   3          3HG2      THR   3 -10.141  -1.309  10.549
   22    H    ILE   4           H        ILE   4  -7.857  -1.622   9.018
   23    HA   ILE   4           HA       ILE   4  -8.221  -3.729   7.064
   24    HB   ILE   4           HB       ILE   4  -6.169  -3.300   9.237
   25   1HG1  ILE   4          1HG1      ILE   4  -5.800  -3.436   6.239
   26   2HG1  ILE   4          2HG1      ILE   4  -6.164  -1.918   7.095
   27   1HG2  ILE   4          1HG2      ILE   4  -6.742  -5.700   7.589
   28   2HG2  ILE   4          2HG2      ILE   4  -5.050  -5.260   7.821
   29   3HG2  ILE   4          3HG2      ILE   4  -6.079  -5.578   9.219
   30   1HD1  ILE   4          1HD1      ILE   4  -4.039  -1.667   7.696
   31   2HD1  ILE   4          2HD1      ILE   4  -3.933  -3.320   8.301
   32   3HD1  ILE   4          3HD1      ILE   4  -3.653  -2.987   6.593
   33    H    GLY   5           H        GLY   5  -9.368  -5.523   7.407
   34   1HA   GLY   5          1HA       GLY   5 -10.077  -6.175  10.201
   35   2HA   GLY   5          2HA       GLY   5 -11.130  -6.468   8.824
   36    HA   PRO   6           HA       PRO   6  -8.406 -10.253   9.840
   37   1HB   PRO   6          1HB       PRO   6 -10.974 -11.522  10.625
   38   2HB   PRO   6          2HB       PRO   6  -9.395 -11.461  11.475
   39   1HG   PRO   6          1HG       PRO   6 -11.550 -10.092  12.302
   40   2HG   PRO   6          2HG       PRO   6  -9.870  -9.531  12.585
   41   1HD   PRO   6          1HD       PRO   6 -11.935  -8.625  10.582
   42   2HD   PRO   6          2HD       PRO   6 -10.687  -7.678  11.448
   43    H    ASN   7           H        ASN   7 -11.444  -9.566   8.290
   44    HA   ASN   7           HA       ASN   7 -10.789 -11.467   6.165
   45   1HB   ASN   7          1HB       ASN   7 -13.552 -11.613   6.253
   46   2HB   ASN   7          2HB       ASN   7 -12.420 -12.863   6.812
   47   1HD2  ASN   7          1HD2      ASN   7 -12.516 -13.452   8.874
   48   2HD2  ASN   7          2HD2      ASN   7 -13.373 -12.611  10.124
   49    H    THR   8           H        THR   8 -10.226  -8.907   5.822
   50    HA   THR   8           HA       THR   8 -12.306  -7.356   4.702
   51    HB   THR   8           HB       THR   8  -9.681  -6.930   3.486
   52    HG1  THR   8           1HG      THR   8  -8.502  -7.067   5.239
   53   1HG2  THR   8          1HG2      THR   8 -11.328  -5.199   3.436
   54   2HG2  THR   8          2HG2      THR   8 -10.043  -4.669   4.521
   55   3HG2  THR   8          3HG2      THR   8 -11.556  -5.286   5.182
   56    H    CYS   9           H        CYS   9  -9.919  -9.554   3.291
   57    HA   CYS   9           HA       CYS   9 -11.737 -10.251   1.157
   58   1HB   CYS   9          1HB       CYS   9  -9.556  -9.863  -0.402
   59   2HB   CYS   9          2HB       CYS   9 -10.865  -8.682  -0.235
   60    H    SER  10           H        SER  10 -10.446 -11.480   3.458
   61    HA   SER  10           HA       SER  10  -8.269 -13.086   2.473
   62   1HB   SER  10          1HB       SER  10  -9.384 -13.904   5.038
   63   2HB   SER  10          2HB       SER  10  -7.755 -13.302   4.648
   64    HG   SER  10           HG       SER  10  -8.880 -11.877   6.060
   65    H    ILE  11           H        ILE  11  -9.446 -14.170   0.763
   66    HA   ILE  11           HA       ILE  11 -11.483 -16.075   1.350
   67    HB   ILE  11           HB       ILE  11  -9.592 -16.490  -0.927
   68   1HG1  ILE  11          1HG1      ILE  11  -9.977 -14.036  -0.814
   69   2HG1  ILE  11          2HG1      ILE  11 -10.648 -14.790  -2.280
   70   1HG2  ILE  11          1HG2      ILE  11 -12.533 -16.497  -1.247
   71   2HG2  ILE  11          2HG2      ILE  11 -11.314 -17.595  -1.898
   72   3HG2  ILE  11          3HG2      ILE  11 -11.841 -17.753  -0.222
   73   1HD1  ILE  11          1HD1      ILE  11 -12.118 -13.064  -1.241
   74   2HD1  ILE  11          2HD1      ILE  11 -12.875 -14.649  -1.399
   75   3HD1  ILE  11          3HD1      ILE  11 -12.277 -14.109   0.170
   76    H    ASP  12           H        ASP  12  -8.041 -16.443   0.583
   77    HA   ASP  12           HA       ASP  12  -7.916 -19.001   1.960
   78   1HB   ASP  12          1HB       ASP  12  -6.552 -17.895  -0.212
   79   2HB   ASP  12          2HB       ASP  12  -5.369 -17.845   1.114
   80    H    ASP  13           H        ASP  13  -5.133 -18.532   2.835
   81    HA   ASP  13           HA       ASP  13  -5.658 -16.996   5.227
   82   1HB   ASP  13          1HB       ASP  13  -3.439 -17.648   5.973
   83   2HB   ASP  13          2HB       ASP  13  -4.314 -19.068   5.361
   84    H    TYR  14           H        TYR  14  -6.154 -15.297   3.495
   85    HA   TYR  14           HA       TYR  14  -3.908 -13.968   2.304
   86   1HB   TYR  14          1HB       TYR  14  -6.882 -13.543   2.332
   87   2HB   TYR  14          2HB       TYR  14  -5.810 -12.262   1.740
   88    HD1  TYR  14           1HD      TYR  14  -7.681 -13.227  -0.164
   89    HD2  TYR  14           2HD      TYR  14  -3.978 -14.965   0.962
   90    HE1  TYR  14           1HE      TYR  14  -7.544 -14.332  -2.358
   91    HE2  TYR  14           2HE      TYR  14  -3.807 -16.056  -1.224
   92    HH   TYR  14           HH       TYR  14  -5.637 -16.856  -3.029
   93    H    LYS  15           H        LYS  15  -2.611 -12.882   3.557
   94    HA   LYS  15           HA       LYS  15  -3.580 -11.370   5.820
   95   1HB   LYS  15          1HB       LYS  15  -0.799 -11.085   4.742
   96   2HB   LYS  15          2HB       LYS  15  -1.365 -11.070   6.430
   97   1HG   LYS  15          1HG       LYS  15  -0.490 -13.132   6.525
   98   2HG   LYS  15          2HG       LYS  15  -1.965 -13.629   5.664
   99   1HD   LYS  15          1HD       LYS  15  -0.881 -13.675   3.584
  100   2HD   LYS  15          2HD       LYS  15   0.476 -12.682   4.167
  101   1HE   LYS  15          1HE       LYS  15   1.162 -15.006   3.901
  102   2HE   LYS  15          2HE       LYS  15   1.206 -14.528   5.612
  103   1HZ   LYS  15          1HZ       LYS  15  -0.376 -15.999   6.137
  104   2HZ   LYS  15          2HZ       LYS  15   0.020 -16.751   4.674
  105   3HZ   LYS  15          3HZ       LYS  15  -1.306 -15.695   4.750
  106    HA   PRO  16           HA       PRO  16  -4.181  -7.693   3.391
  107   1HB   PRO  16          1HB       PRO  16  -4.082  -6.214   5.953
  108   2HB   PRO  16          2HB       PRO  16  -5.437  -6.457   4.803
  109   1HG   PRO  16          1HG       PRO  16  -5.363  -7.617   7.219
  110   2HG   PRO  16          2HG       PRO  16  -6.178  -8.367   5.809
  111   1HD   PRO  16          1HD       PRO  16  -3.478  -8.936   7.051
  112   2HD   PRO  16          2HD       PRO  16  -4.691 -10.072   6.386
  113    H    TYR  17           H        TYR  17  -2.731  -6.447   2.403
  114    HA   TYR  17           HA       TYR  17  -0.253  -5.759   3.844
  115   1HB   TYR  17          1HB       TYR  17  -0.791  -6.277   0.917
  116   2HB   TYR  17          2HB       TYR  17   0.651  -5.402   1.459
  117    HD1  TYR  17           1HD      TYR  17  -1.133  -8.545   2.492
  118    HD2  TYR  17           2HD      TYR  17   2.557  -6.693   1.482
  119    HE1  TYR  17           1HE      TYR  17   0.024 -10.692   2.787
  120    HE2  TYR  17           2HE      TYR  17   3.728  -8.826   1.790
  121    HH   TYR  17           HH       TYR  17   3.420 -11.085   2.011
  122    H    CYS  18           H        CYS  18   0.446  -3.631   3.793
  123    HA   CYS  18           HA       CYS  18  -1.479  -1.712   2.658
  124   1HB   CYS  18          1HB       CYS  18  -1.209  -1.999   5.265
  125   2HB   CYS  18          2HB       CYS  18   0.240  -1.011   5.013
  126    H    CYS  19           H        CYS  19  -0.621  -0.766   0.958
  127    HA   CYS  19           HA       CYS  19   1.956   0.546   1.165
  128   1HB   CYS  19          1HB       CYS  19   1.367  -1.652  -0.828
  129   2HB   CYS  19          2HB       CYS  19   2.578  -0.401  -1.152
  130    H    GLN  20           H        GLN  20   2.132   2.297  -0.307
  131    HA   GLN  20           HA       GLN  20  -0.442   3.080  -1.457
  132   1HB   GLN  20          1HB       GLN  20   1.190   4.547   0.048
  133   2HB   GLN  20          2HB       GLN  20   1.940   4.885  -1.531
  134   1HG   GLN  20          1HG       GLN  20  -0.219   5.682  -2.383
  135   2HG   GLN  20          2HG       GLN  20  -0.966   5.345  -0.806
  136   1HE2  GLN  20          1HE2      GLN  20   2.085   6.893  -1.789
  137   2HE2  GLN  20          2HE2      GLN  20   1.823   8.363  -0.909
  138    H    SER  21           H        SER  21  -0.782   3.377  -3.605
  139    HA   SER  21           HA       SER  21   1.196   2.142  -5.347
  140   1HB   SER  21          1HB       SER  21  -1.544   3.096  -6.175
  141   2HB   SER  21          2HB       SER  21  -0.561   1.787  -6.875
  142    HG   SER  21           HG       SER  21  -1.935   1.814  -4.370
  143    H    MET  22           H        MET  22   2.210   4.451  -4.566
  144    HA   MET  22           HA       MET  22   2.312   5.990  -7.012
  145   1HB   MET  22          1HB       MET  22   0.641   6.878  -4.964
  146   2HB   MET  22          2HB       MET  22   2.141   7.811  -4.741
  147   1HG   MET  22          1HG       MET  22   0.445   7.657  -7.245
  148   2HG   MET  22          2HG       MET  22   0.602   9.039  -6.148
  149   1HE   MET  22          1HE       MET  22   0.634   9.293  -8.882
  150   2HE   MET  22          2HE       MET  22   1.943  10.444  -9.142
  151   3HE   MET  22          3HE       MET  22   2.028   8.837  -9.862
  152    H    SER  23           H        SER  23   4.399   6.152  -7.416
  153    HA   SER  23           HA       SER  23   6.289   5.893  -5.214
  154   1HB   SER  23          1HB       SER  23   7.261   6.051  -8.020
  155   2HB   SER  23          2HB       SER  23   7.765   4.972  -6.698
  156    HG   SER  23           HG       SER  23   6.516   3.533  -7.574
  157    H    GLY  24           H        GLY  24   4.980   8.344  -7.149
  158   1HA   GLY  24          1HA       GLY  24   6.493  10.381  -5.917
  159   2HA   GLY  24          2HA       GLY  24   7.181  10.049  -7.498
  160    HA   PRO  25           HA       PRO  25   2.984  12.299  -7.962
  161   1HB   PRO  25          1HB       PRO  25   2.506  14.198  -6.111
  162   2HB   PRO  25          2HB       PRO  25   2.200  12.462  -5.775
  163   1HG   PRO  25          1HG       PRO  25   4.530  14.136  -4.967
  164   2HG   PRO  25          2HG       PRO  25   3.587  12.975  -3.978
  165   1HD   PRO  25          1HD       PRO  25   6.022  12.440  -5.225
  166   2HD   PRO  25          2HD       PRO  25   4.811  11.196  -4.790
  167    H    ALA  26           H        ALA  26   2.537  14.946  -7.983
  168    HA   ALA  26           HA       ALA  26   4.652  15.932  -9.678
  169   1HB   ALA  26          1HB       ALA  26   2.334  16.281 -10.316
  170   2HB   ALA  26          2HB       ALA  26   2.051  17.215  -8.846
  171   3HB   ALA  26          3HB       ALA  26   3.148  17.828 -10.084
  172    H    GLY  27           H        GLY  27   6.386  16.895  -8.888
  173   1HA   GLY  27          1HA       GLY  27   6.274  18.240  -6.301
  174   2HA   GLY  27          2HA       GLY  27   7.720  17.900  -7.241
  175    H    SER  28           H        SER  28   8.432  19.379  -8.761
  176    HA   SER  28           HA       SER  28   7.084  21.985  -8.651
  177   1HB   SER  28          1HB       SER  28   9.873  21.981  -9.557
  178   2HB   SER  28          2HB       SER  28   9.077  22.980  -8.317
  179    HG   SER  28           HG       SER  28   9.711  21.629  -6.812
  180    HA   PRO  29           HA       PRO  29   6.381  21.258 -13.065
  181   1HB   PRO  29          1HB       PRO  29   5.169  23.971 -12.826
  182   2HB   PRO  29          2HB       PRO  29   4.472  22.426 -13.414
  183   1HG   PRO  29          1HG       PRO  29   3.779  23.506 -11.074
  184   2HG   PRO  29          2HG       PRO  29   3.808  21.733 -11.344
  185   1HD   PRO  29          1HD       PRO  29   5.748  23.534  -9.893
  186   2HD   PRO  29          2HD       PRO  29   5.250  21.855  -9.523
  187    H    GLY  30           H        GLY  30   8.081  21.580 -14.340
  188   1HA   GLY  30          1HA       GLY  30   9.210  23.501 -15.592
  189   2HA   GLY  30          2HA       GLY  30   9.666  24.038 -13.981
  190    H    LEU  31           H        LEU  31   9.950  21.255 -13.054
  191    HA   LEU  31           HA       LEU  31  12.531  20.669 -14.330
  192   1HB   LEU  31          1HB       LEU  31  11.622  20.730 -11.585
  193   2HB   LEU  31          2HB       LEU  31  12.294  19.133 -11.991
  194    HG   LEU  31           HG       LEU  31  13.833  21.619 -12.678
  195   1HD1  LEU  31          1HD1      LEU  31  14.850  21.693 -10.536
  196   2HD1  LEU  31          2HD1      LEU  31  13.107  21.757 -10.281
  197   3HD1  LEU  31          3HD1      LEU  31  13.985  20.252 -10.000
  198   1HD2  LEU  31          1HD2      LEU  31  14.311  18.717 -12.399
  199   2HD2  LEU  31          2HD2      LEU  31  15.013  19.885 -13.518
  200   3HD2  LEU  31          3HD2      LEU  31  15.608  19.785 -11.861
  201    H    LEU  32           H        LEU  32  12.184  17.988 -12.726
  202    HA   LEU  32           HA       LEU  32  10.158  16.591 -14.179
  203   1HB   LEU  32          1HB       LEU  32  11.508  15.241 -15.597
  204   2HB   LEU  32          2HB       LEU  32  11.943  16.938 -15.910
  205    HG   LEU  32           HG       LEU  32  13.651  15.747 -13.884
  206   1HD1  LEU  32          1HD1      LEU  32  14.054  14.552 -16.585
  207   2HD1  LEU  32          2HD1      LEU  32  14.644  14.008 -15.015
  208   3HD1  LEU  32          3HD1      LEU  32  12.949  13.780 -15.448
  209   1HD2  LEU  32          1HD2      LEU  32  15.089  16.416 -16.189
  210   2HD2  LEU  32          2HD2      LEU  32  13.757  17.568 -16.101
  211   3HD2  LEU  32          3HD2      LEU  32  14.864  17.395 -14.739
  212    H    ASN  33           H        ASN  33   9.842  14.488 -13.423
  213    HA   ASN  33           HA       ASN  33  11.199  13.839 -10.934
  214   1HB   ASN  33          1HB       ASN  33   8.754  13.560 -11.081
  215   2HB   ASN  33          2HB       ASN  33   8.968  12.398 -12.408
  216   1HD2  ASN  33          1HD2      ASN  33   8.190  10.583 -11.483
  217   2HD2  ASN  33          2HD2      ASN  33   8.857   9.845 -10.066
  218    H    LEU  34           H        LEU  34  13.210  13.092 -11.306
  219    HA   LEU  34           HA       LEU  34  13.859  11.368 -13.494
  220   1HB   LEU  34          1HB       LEU  34  15.404  13.025 -12.287
  221   2HB   LEU  34          2HB       LEU  34  15.537  11.781 -11.022
  222    HG   LEU  34           HG       LEU  34  16.056  10.607 -13.596
  223   1HD1  LEU  34          1HD1      LEU  34  16.683  12.846 -14.308
  224   2HD1  LEU  34          2HD1      LEU  34  17.750  13.004 -12.913
  225   3HD1  LEU  34          3HD1      LEU  34  18.104  11.811 -14.164
  226   1HD2  LEU  34          1HD2      LEU  34  16.750   9.818 -11.325
  227   2HD2  LEU  34          2HD2      LEU  34  18.045   9.851 -12.522
  228   3HD2  LEU  34          3HD2      LEU  34  17.940  11.121 -11.302
  229    H    ILE  35           H        ILE  35  13.737   9.221 -13.581
  230    HA   ILE  35           HA       ILE  35  13.567   7.691 -11.097
  231    HB   ILE  35           HB       ILE  35  11.737   6.325 -12.501
  232   1HG1  ILE  35          1HG1      ILE  35  10.220   8.542 -13.145
  233   2HG1  ILE  35          2HG1      ILE  35  11.845   8.994 -13.713
  234   1HG2  ILE  35          1HG2      ILE  35  11.684   7.395 -10.164
  235   2HG2  ILE  35          2HG2      ILE  35  10.821   8.717 -10.949
  236   3HG2  ILE  35          3HG2      ILE  35  10.153   7.085 -10.979
  237   1HD1  ILE  35          1HD1      ILE  35  11.706   6.520 -14.728
  238   2HD1  ILE  35          2HD1      ILE  35   9.987   6.919 -14.712
  239   3HD1  ILE  35          3HD1      ILE  35  11.121   7.949 -15.583
  240    HA   PRO  36           HA       PRO  36  16.330   5.079 -13.456
  241   1HB   PRO  36          1HB       PRO  36  15.670   3.051 -11.378
  242   2HB   PRO  36          2HB       PRO  36  17.240   3.797 -11.820
  243   1HG   PRO  36          1HG       PRO  36  15.961   4.381  -9.544
  244   2HG   PRO  36          2HG       PRO  36  17.000   5.567 -10.399
  245   1HD   PRO  36          1HD       PRO  36  13.996   5.316 -10.269
  246   2HD   PRO  36          2HD       PRO  36  15.021   6.782 -10.333
  247    H    VAL  37           H        VAL  37  15.860   3.790 -15.141
  248    HA   VAL  37           HA       VAL  37  13.151   2.905 -15.507
  249    HB   VAL  37           HB       VAL  37  15.382   2.151 -17.369
  250   1HG1  VAL  37          1HG1      VAL  37  12.845   1.516 -17.543
  251   2HG1  VAL  37          2HG1      VAL  37  12.688   3.159 -18.168
  252   3HG1  VAL  37          3HG1      VAL  37  13.745   2.002 -18.978
  253   1HG2  VAL  37          1HG2      VAL  37  14.740   4.418 -18.502
  254   2HG2  VAL  37          2HG2      VAL  37  14.284   4.884 -16.864
  255   3HG2  VAL  37          3HG2      VAL  37  15.941   4.385 -17.212
  256    H    ASP  38           H        ASP  38  13.552   1.534 -13.455
  257    HA   ASP  38           HA       ASP  38  14.619  -1.108 -14.109
  258   1HB   ASP  38          1HB       ASP  38  14.807   0.251 -11.811
  259   2HB   ASP  38          2HB       ASP  38  13.254  -0.558 -11.508
  260    H    LEU  39           H        LEU  39  13.327  -2.483 -15.089
  261    HA   LEU  39           HA       LEU  39  10.472  -1.966 -15.154
  262   1HB   LEU  39          1HB       LEU  39  12.186  -3.982 -16.619
  263   2HB   LEU  39          2HB       LEU  39  10.441  -3.747 -16.881
  264    HG   LEU  39           HG       LEU  39  11.489  -1.207 -17.230
  265   1HD1  LEU  39          1HD1      LEU  39  13.476  -3.266 -18.050
  266   2HD1  LEU  39          2HD1      LEU  39  13.248  -1.843 -19.065
  267   3HD1  LEU  39          3HD1      LEU  39  13.731  -1.655 -17.378
  268   1HD2  LEU  39          1HD2      LEU  39  11.346  -2.199 -19.767
  269   2HD2  LEU  39          2HD2      LEU  39  10.358  -3.353 -18.870
  270   3HD2  LEU  39          3HD2      LEU  39   9.969  -1.634 -18.822
  271    H    SER  40           H        SER  40   8.875  -3.474 -14.651
  272    HA   SER  40           HA       SER  40   7.826  -5.102 -13.479
  273   1HB   SER  40          1HB       SER  40  10.321  -6.780 -13.446
  274   2HB   SER  40          2HB       SER  40   8.626  -7.282 -13.652
  275    HG   SER  40           HG       SER  40   9.164  -5.652 -15.648
  276    H    ALA  41           H        ALA  41   8.596  -3.117 -11.913
  277    HA   ALA  41           HA       ALA  41  10.128  -4.063  -9.655
  278   1HB   ALA  41          1HB       ALA  41   9.457  -1.889  -8.633
  279   2HB   ALA  41          2HB       ALA  41  10.276  -1.726 -10.187
  280   3HB   ALA  41          3HB       ALA  41   8.523  -1.544 -10.090
  281    H    SER  42           H        SER  42   9.109  -5.786  -8.744
  282    HA   SER  42           HA       SER  42   6.288  -5.798  -8.224
  283   1HB   SER  42          1HB       SER  42   7.579  -7.811  -6.699
  284   2HB   SER  42          2HB       SER  42   6.696  -7.999  -8.233
  285    HG   SER  42           HG       SER  42   9.066  -8.642  -8.056
  286    H    LEU  43           H        LEU  43   5.537  -6.377  -5.951
  287    HA   LEU  43           HA       LEU  43   6.761  -4.464  -4.090
  288   1HB   LEU  43          1HB       LEU  43   4.434  -4.873  -2.915
  289   2HB   LEU  43          2HB       LEU  43   4.594  -3.737  -4.276
  290    HG   LEU  43           HG       LEU  43   3.953  -6.479  -5.098
  291   1HD1  LEU  43          1HD1      LEU  43   1.624  -6.402  -4.376
  292   2HD1  LEU  43          2HD1      LEU  43   2.723  -6.463  -2.997
  293   3HD1  LEU  43          3HD1      LEU  43   1.956  -4.939  -3.448
  294   1HD2  LEU  43          1HD2      LEU  43   3.793  -4.857  -6.757
  295   2HD2  LEU  43          2HD2      LEU  43   2.116  -5.100  -6.269
  296   3HD2  LEU  43          3HD2      LEU  43   3.007  -3.696  -5.684
  297    H    GLY  44           H        GLY  44   7.411  -5.091  -2.092
  298   1HA   GLY  44          1HA       GLY  44   7.044  -7.923  -1.360
  299   2HA   GLY  44          2HA       GLY  44   8.211  -6.815  -0.636
  300    H    CYS  45           H        CYS  45   6.939  -4.708   0.108
  301    HA   CYS  45           HA       CYS  45   5.446  -3.689   1.451
  302   1HB   CYS  45          1HB       CYS  45   3.771  -5.918   0.358
  303   2HB   CYS  45          2HB       CYS  45   3.124  -4.848   1.612
  304    H    VAL  46           H        VAL  46   3.781  -4.271   3.365
  305    HA   VAL  46           HA       VAL  46   4.962  -6.396   5.011
  306    HB   VAL  46           HB       VAL  46   4.428  -4.734   6.977
  307   1HG1  VAL  46          1HG1      VAL  46   6.796  -3.837   6.758
  308   2HG1  VAL  46          2HG1      VAL  46   6.603  -5.590   6.743
  309   3HG1  VAL  46          3HG1      VAL  46   6.869  -4.719   5.232
  310   1HG2  VAL  46          1HG2      VAL  46   3.500  -2.909   5.782
  311   2HG2  VAL  46          2HG2      VAL  46   5.104  -2.396   6.306
  312   3HG2  VAL  46          3HG2      VAL  46   4.841  -2.890   4.634
  313    H    VAL  47           H        VAL  47   3.531  -7.212   6.638
  314    HA   VAL  47           HA       VAL  47   0.824  -7.332   5.732
  315    HB   VAL  47           HB       VAL  47   2.058  -8.481   8.243
  316   1HG1  VAL  47          1HG1      VAL  47  -0.593  -8.157   7.789
  317   2HG1  VAL  47          2HG1      VAL  47  -0.323  -9.739   7.061
  318   3HG1  VAL  47          3HG1      VAL  47   0.095  -9.464   8.753
  319   1HG2  VAL  47          1HG2      VAL  47   3.126  -9.381   6.280
  320   2HG2  VAL  47          2HG2      VAL  47   2.054 -10.602   6.967
  321   3HG2  VAL  47          3HG2      VAL  47   1.560  -9.701   5.534
  322    H    GLY  48           H        GLY  48  -0.903  -6.293   6.464
  323   1HA   GLY  48          1HA       GLY  48  -0.504  -4.060   8.256
  324   2HA   GLY  48          2HA       GLY  48  -1.958  -4.436   7.340
  325    H    VAL  49           H        VAL  49  -1.172  -3.884  10.294
  326    HA   VAL  49           HA       VAL  49  -1.956  -6.194  11.732
  327    HB   VAL  49           HB       VAL  49  -0.672  -4.687  12.969
  328   1HG1  VAL  49          1HG1      VAL  49  -1.708  -2.737  11.362
  329   2HG1  VAL  49          2HG1      VAL  49  -2.394  -2.334  12.936
  330   3HG1  VAL  49          3HG1      VAL  49  -0.647  -2.470  12.745
  331   1HG2  VAL  49          1HG2      VAL  49  -3.404  -3.972  13.985
  332   2HG2  VAL  49          2HG2      VAL  49  -2.750  -5.603  14.128
  333   3HG2  VAL  49          3HG2      VAL  49  -1.921  -4.251  14.900
  334    H    ILE  50           H        ILE  50  -3.893  -6.945  12.271
  335    HA   ILE  50           HA       ILE  50  -6.192  -5.916  10.949
  336    HB   ILE  50           HB       ILE  50  -5.578  -8.257  12.671
  337   1HG1  ILE  50          1HG1      ILE  50  -7.201  -9.131  10.696
  338   2HG1  ILE  50          2HG1      ILE  50  -6.557  -7.652   9.942
  339   1HG2  ILE  50          1HG2      ILE  50  -8.169  -6.910  12.741
  340   2HG2  ILE  50          2HG2      ILE  50  -8.266  -8.607  12.270
  341   3HG2  ILE  50          3HG2      ILE  50  -7.508  -8.157  13.798
  342   1HD1  ILE  50          1HD1      ILE  50  -5.192 -10.191  10.636
  343   2HD1  ILE  50          2HD1      ILE  50  -4.981  -9.129   9.244
  344   3HD1  ILE  50          3HD1      ILE  50  -4.262  -8.700  10.796
  345    H    GLY  51           H        GLY  51  -7.841  -4.720  11.679
  346   1HA   GLY  51          1HA       GLY  51  -9.297  -3.800  13.267
  347   2HA   GLY  51          2HA       GLY  51  -8.182  -4.267  14.540
  348    H    SER  52           H        SER  52  -6.349  -2.873  12.211
  349    HA   SER  52           HA       SER  52  -6.416  -0.321  13.660
  350   1HB   SER  52          1HB       SER  52  -4.118  -1.519  12.094
  351   2HB   SER  52          2HB       SER  52  -4.065  -0.092  13.156
  352    HG   SER  52           HG       SER  52  -4.990  -2.522  14.221
  353    H    GLN  53           H        GLN  53  -5.453   1.521  12.320
  354    HA   GLN  53           HA       GLN  53  -7.039   1.673   9.873
  355   1HB   GLN  53          1HB       GLN  53  -5.727   3.794  11.586
  356   2HB   GLN  53          2HB       GLN  53  -6.579   4.137  10.062
  357   1HG   GLN  53          1HG       GLN  53  -8.271   4.550  11.517
  358   2HG   GLN  53          2HG       GLN  53  -8.525   2.806  11.284
  359   1HE2  GLN  53          1HE2      GLN  53  -9.647   3.194  13.388
  360   2HE2  GLN  53          2HE2      GLN  53  -8.710   3.019  14.831
  361    H    CYS  54           H        CYS  54  -6.204   2.287   7.915
  362    HA   CYS  54           HA       CYS  54  -3.292   2.609   7.716
  363   1HB   CYS  54          1HB       CYS  54  -4.853   0.428   6.720
  364   2HB   CYS  54          2HB       CYS  54  -4.256   1.363   5.339
  365    H    GLY  55           H        GLY  55  -2.583   3.840   5.899
  366   1HA   GLY  55          1HA       GLY  55  -4.731   5.462   4.672
  367   2HA   GLY  55          2HA       GLY  55  -3.210   6.161   5.217
  368    H    ALA  56           H        ALA  56  -3.992   3.231   3.378
  369    HA   ALA  56           HA       ALA  56  -2.753   4.243   0.984
  370   1HB   ALA  56          1HB       ALA  56  -1.417   1.775   1.882
  371   2HB   ALA  56          2HB       ALA  56  -0.767   3.170   1.018
  372   3HB   ALA  56          3HB       ALA  56  -0.993   3.242   2.766
  373    H    SER  57           H        SER  57  -2.322   1.970  -0.417
  374    HA   SER  57           HA       SER  57  -4.989   0.963  -0.785
  375   1HB   SER  57          1HB       SER  57  -2.589  -0.136  -2.218
  376   2HB   SER  57          2HB       SER  57  -4.241   0.135  -2.824
  377    HG   SER  57           HG       SER  57  -3.825   2.377  -2.769
  378    H    VAL  58           H        VAL  58  -5.796  -0.882  -0.028
  379    HA   VAL  58           HA       VAL  58  -4.008  -2.616   1.513
  380    HB   VAL  58           HB       VAL  58  -6.388  -3.639   2.130
  381   1HG1  VAL  58          1HG1      VAL  58  -6.197  -1.261   3.684
  382   2HG1  VAL  58          2HG1      VAL  58  -5.720  -2.904   4.112
  383   3HG1  VAL  58          3HG1      VAL  58  -4.569  -1.830   3.314
  384   1HG2  VAL  58          1HG2      VAL  58  -7.198  -1.573   0.518
  385   2HG2  VAL  58          2HG2      VAL  58  -8.195  -2.388   1.725
  386   3HG2  VAL  58          3HG2      VAL  58  -7.360  -0.891   2.137
  387    H    LYS  59           H        LYS  59  -3.522  -4.599   0.904
  388    HA   LYS  59           HA       LYS  59  -5.084  -5.820  -1.277
  389   1HB   LYS  59          1HB       LYS  59  -2.174  -6.443  -0.829
  390   2HB   LYS  59          2HB       LYS  59  -3.153  -6.652  -2.301
  391   1HG   LYS  59          1HG       LYS  59  -3.034  -3.863  -1.556
  392   2HG   LYS  59          2HG       LYS  59  -1.396  -4.547  -1.683
  393   1HD   LYS  59          1HD       LYS  59  -1.577  -4.246  -3.893
  394   2HD   LYS  59          2HD       LYS  59  -2.729  -5.603  -3.883
  395   1HE   LYS  59          1HE       LYS  59  -4.599  -4.148  -3.772
  396   2HE   LYS  59          2HE       LYS  59  -3.584  -2.749  -3.356
  397   1HZ   LYS  59          1HZ       LYS  59  -2.835  -2.546  -5.518
  398   2HZ   LYS  59          2HZ       LYS  59  -4.451  -3.004  -5.754
  399   3HZ   LYS  59          3HZ       LYS  59  -3.212  -4.147  -5.937
  400    H    CYS  60           H        CYS  60  -5.336  -8.109  -1.189
  401    HA   CYS  60           HA       CYS  60  -4.685  -9.282   1.440
  402   1HB   CYS  60          1HB       CYS  60  -7.023  -9.640  -0.417
  403   2HB   CYS  60          2HB       CYS  60  -6.566 -10.949   0.685
  404    H    CYS  61           H        CYS  61  -2.934 -10.569   1.274
  405    HA   CYS  61           HA       CYS  61  -2.586 -12.031  -1.259
  406   1HB   CYS  61          1HB       CYS  61  -0.201 -11.026   0.211
  407   2HB   CYS  61          2HB       CYS  61  -0.416 -11.348  -1.517
  408    H    LYS  62           H        LYS  62  -1.423 -13.879  -1.248
  409    HA   LYS  62           HA       LYS  62  -0.168 -14.856   1.184
  410   1HB   LYS  62          1HB       LYS  62  -2.111 -16.101   1.480
  411   2HB   LYS  62          2HB       LYS  62  -2.455 -16.159  -0.265
  412   1HG   LYS  62          1HG       LYS  62  -0.139 -17.623  -0.078
  413   2HG   LYS  62          2HG       LYS  62  -0.973 -18.031   1.441
  414   1HD   LYS  62          1HD       LYS  62  -3.064 -18.336  -0.098
  415   2HD   LYS  62          2HD       LYS  62  -1.860 -18.467  -1.403
  416   1HE   LYS  62          1HE       LYS  62  -1.969 -20.670  -0.837
  417   2HE   LYS  62          2HE       LYS  62  -0.747 -20.161   0.349
  418   1HZ   LYS  62          1HZ       LYS  62  -2.687 -19.776   1.904
  419   2HZ   LYS  62          2HZ       LYS  62  -2.330 -21.396   1.545
  420   3HZ   LYS  62          3HZ       LYS  62  -3.645 -20.631   0.800
  421    H    ASP  63           H        ASP  63   1.573 -16.340   0.655
  422    HA   ASP  63           HA       ASP  63   2.059 -16.956  -2.123
  423   1HB   ASP  63          1HB       ASP  63   3.261 -14.599  -0.871
  424   2HB   ASP  63          2HB       ASP  63   4.470 -15.721  -1.530
  425    H    ASP  64           H        ASP  64   4.746 -17.419  -2.031
  426    HA   ASP  64           HA       ASP  64   4.878 -19.737  -0.285
  427   1HB   ASP  64          1HB       ASP  64   6.942 -20.266  -1.558
  428   2HB   ASP  64          2HB       ASP  64   5.529 -20.036  -2.610
  429    H    VAL  65           H        VAL  65   5.432 -16.613   0.164
  430    HA   VAL  65           HA       VAL  65   8.015 -16.634   1.408
  431    HB   VAL  65           HB       VAL  65   5.989 -14.584   2.135
  432   1HG1  VAL  65          1HG1      VAL  65   8.524 -13.620   1.167
  433   2HG1  VAL  65          2HG1      VAL  65   7.783 -13.438   2.757
  434   3HG1  VAL  65          3HG1      VAL  65   8.752 -14.866   2.395
  435   1HG2  VAL  65          1HG2      VAL  65   7.003 -15.053  -0.633
  436   2HG2  VAL  65          2HG2      VAL  65   5.407 -14.535  -0.091
  437   3HG2  VAL  65          3HG2      VAL  65   6.754 -13.399  -0.071
  438    H    THR  66           H        THR  66   8.241 -17.942   3.098
  439    HA   THR  66           HA       THR  66   6.224 -17.921   5.217
  440    HB   THR  66           HB       THR  66   8.305 -19.698   5.897
  441    HG1  THR  66           1HG      THR  66   7.605 -20.808   3.558
  442   1HG2  THR  66          1HG2      THR  66   5.536 -19.667   5.708
  443   2HG2  THR  66          2HG2      THR  66   6.529 -20.999   6.303
  444   3HG2  THR  66          3HG2      THR  66   6.028 -20.956   4.611
  445    H    ASN  67           H        ASN  67   9.040 -18.908   6.555
  446    HA   ASN  67           HA       ASN  67   9.527 -16.273   7.720
  447   1HB   ASN  67          1HB       ASN  67   9.105 -18.510   9.061
  448   2HB   ASN  67          2HB       ASN  67  10.836 -18.763   8.750
  449   1HD2  ASN  67          1HD2      ASN  67  10.492 -18.656  11.233
  450   2HD2  ASN  67          2HD2      ASN  67  10.810 -17.106  11.950
  451    H    THR  68           H        THR  68  10.635 -15.517   5.880
  452    HA   THR  68           HA       THR  68  13.117 -16.776   5.104
  453    HB   THR  68           HB       THR  68  12.494 -14.053   4.133
  454    HG1  THR  68           1HG      THR  68  10.914 -16.170   3.117
  455   1HG2  THR  68          1HG2      THR  68  13.344 -14.836   2.128
  456   2HG2  THR  68          2HG2      THR  68  12.849 -16.498   2.448
  457   3HG2  THR  68          3HG2      THR  68  14.236 -15.813   3.295
  458    H    GLY  69           H        GLY  69  15.185 -15.796   5.290
  459   1HA   GLY  69          1HA       GLY  69  15.509 -14.147   7.662
  460   2HA   GLY  69          2HA       GLY  69  16.794 -14.864   6.695
  461    H    ASN  70           H        ASN  70  14.275 -12.391   6.526
  462    HA   ASN  70           HA       ASN  70  16.181 -10.599   5.210
  463   1HB   ASN  70          1HB       ASN  70  14.614 -11.792   3.549
  464   2HB   ASN  70          2HB       ASN  70  13.313 -10.823   4.275
  465   1HD2  ASN  70          1HD2      ASN  70  16.178 -10.776   2.306
  466   2HD2  ASN  70          2HD2      ASN  70  15.979  -9.164   1.707
  467    H    SER  71           H        SER  71  15.335  -8.311   5.230
  468    HA   SER  71           HA       SER  71  14.633  -7.569   7.849
  469   1HB   SER  71          1HB       SER  71  14.118  -5.618   5.675
  470   2HB   SER  71          2HB       SER  71  15.093  -5.450   7.155
  471    HG   SER  71           HG       SER  71  16.796  -6.376   6.162
  472    H    PHE  72           H        PHE  72  12.735  -8.128   4.969
  473    HA   PHE  72           HA       PHE  72  10.323  -8.000   6.583
  474   1HB   PHE  72          1HB       PHE  72   9.120  -6.517   5.177
  475   2HB   PHE  72          2HB       PHE  72  10.670  -5.727   5.517
  476    HD1  PHE  72           1HD      PHE  72  12.548  -6.160   3.693
  477    HD2  PHE  72           2HD      PHE  72   8.368  -6.577   3.016
  478    HE1  PHE  72           1HE      PHE  72  12.911  -5.873   1.278
  479    HE2  PHE  72           2HE      PHE  72   8.723  -6.292   0.604
  480    HZ   PHE  72           HZ       PHE  72  10.996  -5.938  -0.270
  481    H    LEU  73           H        LEU  73   8.431  -8.465   4.694
  482    HA   LEU  73           HA       LEU  73   9.279 -11.085   3.688
  483   1HB   LEU  73          1HB       LEU  73   6.569 -11.090   3.436
  484   2HB   LEU  73          2HB       LEU  73   7.460 -11.690   4.855
  485    HG   LEU  73           HG       LEU  73   7.163  -9.012   5.419
  486   1HD1  LEU  73          1HD1      LEU  73   5.031  -9.843   3.580
  487   2HD1  LEU  73          2HD1      LEU  73   4.482  -9.069   5.067
  488   3HD1  LEU  73          3HD1      LEU  73   5.609  -8.231   3.998
  489   1HD2  LEU  73          1HD2      LEU  73   5.232  -9.888   6.872
  490   2HD2  LEU  73          2HD2      LEU  73   5.620 -11.465   6.184
  491   3HD2  LEU  73          3HD2      LEU  73   6.837 -10.581   7.106
  492    H    ILE  74           H        ILE  74  10.055 -10.735   1.658
  493    HA   ILE  74           HA       ILE  74   8.673  -9.009  -0.202
  494    HB   ILE  74           HB       ILE  74  10.723 -10.976  -1.126
  495   1HG1  ILE  74          1HG1      ILE  74  11.777  -8.424  -0.070
  496   2HG1  ILE  74          2HG1      ILE  74  11.243  -9.595   1.159
  497   1HG2  ILE  74          1HG2      ILE  74  11.431  -8.832  -2.364
  498   2HG2  ILE  74          2HG2      ILE  74   9.931  -9.626  -2.845
  499   3HG2  ILE  74          3HG2      ILE  74   9.880  -8.189  -1.824
  500   1HD1  ILE  74          1HD1      ILE  74  12.697 -11.286  -0.097
  501   2HD1  ILE  74          2HD1      ILE  74  13.409  -9.889  -0.902
  502   3HD1  ILE  74          3HD1      ILE  74  13.518 -10.045   0.852
  503    H    ILE  75           H        ILE  75   6.902  -9.629  -1.233
  504    HA   ILE  75           HA       ILE  75   6.255 -12.464  -1.390
  505    HB   ILE  75           HB       ILE  75   4.032 -11.533  -2.313
  506   1HG1  ILE  75          1HG1      ILE  75   4.911  -9.033  -0.887
  507   2HG1  ILE  75          2HG1      ILE  75   5.126  -9.227  -2.644
  508   1HG2  ILE  75          1HG2      ILE  75   4.979 -12.033   0.263
  509   2HG2  ILE  75          2HG2      ILE  75   4.028 -10.550   0.380
  510   3HG2  ILE  75          3HG2      ILE  75   3.301 -12.017  -0.285
  511   1HD1  ILE  75          1HD1      ILE  75   2.961  -8.101  -1.548
  512   2HD1  ILE  75          2HD1      ILE  75   2.913  -9.000  -3.066
  513   3HD1  ILE  75          3HD1      ILE  75   2.423  -9.783  -1.564
  514    H    ASN  76           H        ASN  76   5.492 -13.431  -3.305
  515    HA   ASN  76           HA       ASN  76   6.927 -12.608  -5.678
  516   1HB   ASN  76          1HB       ASN  76   5.558 -15.021  -4.707
  517   2HB   ASN  76          2HB       ASN  76   5.257 -14.689  -6.427
  518   1HD2  ASN  76          1HD2      ASN  76   7.184 -16.333  -4.388
  519   2HD2  ASN  76          2HD2      ASN  76   8.626 -16.441  -5.348
  520    H    ALA  77           H        ALA  77   3.929 -12.111  -4.240
  521    HA   ALA  77           HA       ALA  77   2.073 -10.952  -4.810
  522   1HB   ALA  77          1HB       ALA  77   2.443  -9.954  -7.379
  523   2HB   ALA  77          2HB       ALA  77   2.734  -9.105  -5.861
  524   3HB   ALA  77          3HB       ALA  77   4.055  -9.954  -6.664
  525    H    ALA  78           H        ALA  78   2.355 -13.717  -5.343
  526    HA   ALA  78           HA       ALA  78   1.038 -14.166  -7.894
  527   1HB   ALA  78          1HB       ALA  78   1.064 -16.605  -6.771
  528   2HB   ALA  78          2HB       ALA  78   2.426 -15.928  -7.663
  529   3HB   ALA  78          3HB       ALA  78   2.402 -15.855  -5.900
  530    H    ASN  79           H        ASN  79   0.325 -15.100  -4.485
  531    HA   ASN  79           HA       ASN  79  -2.478 -15.390  -5.293
  532   1HB   ASN  79          1HB       ASN  79  -1.232 -16.117  -2.628
  533   2HB   ASN  79          2HB       ASN  79  -2.816 -16.625  -3.253
  534   1HD2  ASN  79          1HD2      ASN  79   0.655 -17.045  -3.519
  535   2HD2  ASN  79          2HD2      ASN  79   0.596 -18.540  -4.395
  536    H    CYS  80           H        CYS  80  -1.830 -12.806  -5.328
  537    HA   CYS  80           HA       CYS  80  -3.091 -11.797  -2.867
  538   1HB   CYS  80          1HB       CYS  80  -0.727 -11.106  -2.974
  539   2HB   CYS  80          2HB       CYS  80  -1.010 -10.390  -4.569
  540    H    VAL  81           H        VAL  81  -4.901 -10.662  -3.146
  541    HA   VAL  81           HA       VAL  81  -5.555  -9.729  -5.859
  542    HB   VAL  81           HB       VAL  81  -8.007 -10.336  -5.119
  543   1HG1  VAL  81          1HG1      VAL  81  -6.644 -12.804  -5.894
  544   2HG1  VAL  81          2HG1      VAL  81  -7.882 -11.872  -6.738
  545   3HG1  VAL  81          3HG1      VAL  81  -6.189 -11.397  -6.858
  546   1HG2  VAL  81          1HG2      VAL  81  -7.590 -11.127  -2.913
  547   2HG2  VAL  81          2HG2      VAL  81  -8.007 -12.532  -3.894
  548   3HG2  VAL  81          3HG2      VAL  81  -6.323 -12.217  -3.475
  549    H    ALA  82           H        ALA  82  -6.004  -7.670  -5.893
  550    HA   ALA  82           HA       ALA  82  -7.935  -6.338  -4.468
  551   1HB   ALA  82          1HB       ALA  82  -6.576  -6.569  -2.466
  552   2HB   ALA  82          2HB       ALA  82  -5.199  -5.840  -3.293
  553   3HB   ALA  82          3HB       ALA  82  -6.641  -4.878  -2.965
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1 -10.174   7.671   6.428
    2   2H    ALA   1          2H        ALA   1 -10.317   6.597   7.734
    3   3H    ALA   1          3H        ALA   1 -11.184   6.317   6.304
    4    HA   ALA   1           HA       ALA   1  -8.998   6.154   5.131
    5   1HB   ALA   1          1HB       ALA   1  -7.965   5.826   7.946
    6   2HB   ALA   1          2HB       ALA   1  -7.035   5.727   6.452
    7   3HB   ALA   1          3HB       ALA   1  -7.732   7.268   6.960
    8    H    THR   2           H        THR   2  -8.003   3.982   4.930
    9    HA   THR   2           HA       THR   2 -10.019   1.993   5.390
   10    HB   THR   2           HB       THR   2  -7.301   1.353   4.302
   11    HG1  THR   2           1HG      THR   2  -9.390   2.689   2.878
   12   1HG2  THR   2          1HG2      THR   2  -9.493   0.396   2.755
   13   2HG2  THR   2          2HG2      THR   2  -9.837   0.073   4.453
   14   3HG2  THR   2          3HG2      THR   2  -8.349  -0.532   3.726
   15    H    THR   3           H        THR   3 -10.181   1.292   7.427
   16    HA   THR   3           HA       THR   3  -7.803   0.613   8.966
   17    HB   THR   3           HB       THR   3 -10.582   0.095   9.943
   18    HG1  THR   3           1HG      THR   3  -9.791   2.463   8.987
   19   1HG2  THR   3          1HG2      THR   3  -8.471   1.467  11.518
   20   2HG2  THR   3          2HG2      THR   3  -8.225  -0.236  11.139
   21   3HG2  THR   3          3HG2      THR   3  -9.662   0.271  12.028
   22    H    ILE   4           H        ILE   4  -7.147  -1.451   9.378
   23    HA   ILE   4           HA       ILE   4  -8.362  -3.549   7.788
   24    HB   ILE   4           HB       ILE   4  -5.987  -3.719   9.646
   25   1HG1  ILE   4          1HG1      ILE   4  -5.423  -3.839   6.798
   26   2HG1  ILE   4          2HG1      ILE   4  -6.223  -2.312   7.240
   27   1HG2  ILE   4          1HG2      ILE   4  -7.423  -5.671   8.031
   28   2HG2  ILE   4          2HG2      ILE   4  -5.697  -5.613   7.670
   29   3HG2  ILE   4          3HG2      ILE   4  -6.244  -5.915   9.319
   30   1HD1  ILE   4          1HD1      ILE   4  -4.196  -1.574   7.801
   31   2HD1  ILE   4          2HD1      ILE   4  -4.290  -2.648   9.200
   32   3HD1  ILE   4          3HD1      ILE   4  -3.500  -3.193   7.721
   33    H    GLY   5           H        GLY   5  -9.821  -4.940   8.506
   34   1HA   GLY   5          1HA       GLY   5 -10.168  -5.236  11.420
   35   2HA   GLY   5          2HA       GLY   5 -11.455  -5.428  10.235
   36    HA   PRO   6           HA       PRO   6  -9.702  -9.628  11.298
   37   1HB   PRO   6          1HB       PRO   6 -12.051 -10.847  11.951
   38   2HB   PRO   6          2HB       PRO   6 -11.139  -9.810  13.097
   39   1HG   PRO   6          1HG       PRO   6 -13.479  -9.083  11.391
   40   2HG   PRO   6          2HG       PRO   6 -13.234  -8.774  13.141
   41   1HD   PRO   6          1HD       PRO   6 -12.789  -6.892  11.214
   42   2HD   PRO   6          2HD       PRO   6 -11.789  -6.990  12.695
   43    H    ASN   7           H        ASN   7 -11.599  -8.267   8.955
   44    HA   ASN   7           HA       ASN   7 -11.376 -10.624   7.260
   45   1HB   ASN   7          1HB       ASN   7 -13.749  -9.793   6.340
   46   2HB   ASN   7          2HB       ASN   7 -13.603 -11.012   7.625
   47   1HD2  ASN   7          1HD2      ASN   7 -15.082 -10.692   9.099
   48   2HD2  ASN   7          2HD2      ASN   7 -15.564  -9.158   9.768
   49    H    THR   8           H        THR   8 -11.297 -10.143   5.049
   50    HA   THR   8           HA       THR   8 -11.511  -7.421   4.117
   51    HB   THR   8           HB       THR   8  -8.979  -8.160   3.132
   52    HG1  THR   8           1HG      THR   8  -9.094  -8.397   5.972
   53   1HG2  THR   8          1HG2      THR   8  -9.550  -5.884   3.429
   54   2HG2  THR   8          2HG2      THR   8  -8.227  -6.198   4.554
   55   3HG2  THR   8          3HG2      THR   8  -9.888  -6.115   5.145
   56    H    CYS   9           H        CYS   9  -9.639 -10.230   3.077
   57    HA   CYS   9           HA       CYS   9 -11.622 -11.101   1.186
   58   1HB   CYS   9          1HB       CYS   9  -9.502 -10.943  -0.556
   59   2HB   CYS   9          2HB       CYS   9 -10.884  -9.835  -0.529
   60    H    SER  10           H        SER  10 -10.594 -12.347   3.373
   61    HA   SER  10           HA       SER  10  -8.221 -13.839   2.735
   62   1HB   SER  10          1HB       SER  10 -10.112 -14.195   5.072
   63   2HB   SER  10          2HB       SER  10  -8.431 -14.768   4.951
   64    HG   SER  10           HG       SER  10  -7.786 -12.561   4.812
   65    H    ILE  11           H        ILE  11  -9.178 -14.775   0.763
   66    HA   ILE  11           HA       ILE  11 -11.034 -16.959   1.092
   67    HB   ILE  11           HB       ILE  11  -9.276 -16.710  -1.322
   68   1HG1  ILE  11          1HG1      ILE  11 -11.805 -15.146  -1.296
   69   2HG1  ILE  11          2HG1      ILE  11 -10.429 -14.454  -0.403
   70   1HG2  ILE  11          1HG2      ILE  11 -12.191 -17.143  -1.497
   71   2HG2  ILE  11          2HG2      ILE  11 -10.867 -17.933  -2.355
   72   3HG2  ILE  11          3HG2      ILE  11 -11.259 -18.412  -0.703
   73   1HD1  ILE  11          1HD1      ILE  11 -10.944 -14.430  -3.209
   74   2HD1  ILE  11          2HD1      ILE  11  -9.628 -13.669  -2.315
   75   3HD1  ILE  11          3HD1      ILE  11  -9.451 -15.321  -2.911
   76    H    ASP  12           H        ASP  12  -8.084 -17.466  -0.733
   77    HA   ASP  12           HA       ASP  12  -7.531 -19.819   0.891
   78   1HB   ASP  12          1HB       ASP  12  -7.565 -20.054  -1.561
   79   2HB   ASP  12          2HB       ASP  12  -6.235 -18.882  -1.684
   80    H    ASP  13           H        ASP  13  -6.708 -18.940   2.759
   81    HA   ASP  13           HA       ASP  13  -5.208 -18.018   4.205
   82   1HB   ASP  13          1HB       ASP  13  -3.974 -20.004   3.143
   83   2HB   ASP  13          2HB       ASP  13  -3.080 -18.788   2.206
   84    H    TYR  14           H        TYR  14  -6.328 -16.130   2.507
   85    HA   TYR  14           HA       TYR  14  -4.184 -14.446   1.519
   86   1HB   TYR  14          1HB       TYR  14  -7.171 -14.430   1.300
   87   2HB   TYR  14          2HB       TYR  14  -6.273 -12.932   1.003
   88    HD1  TYR  14           1HD      TYR  14  -3.972 -13.583  -0.449
   89    HD2  TYR  14           2HD      TYR  14  -7.766 -15.483  -0.668
   90    HE1  TYR  14           1HE      TYR  14  -3.445 -14.339  -2.723
   91    HE2  TYR  14           2HE      TYR  14  -7.266 -16.233  -2.953
   92    HH   TYR  14           HH       TYR  14  -5.875 -15.732  -4.787
   93    H    LYS  15           H        LYS  15  -3.172 -13.174   2.850
   94    HA   LYS  15           HA       LYS  15  -4.516 -12.241   5.273
   95   1HB   LYS  15          1HB       LYS  15  -1.660 -12.583   4.426
   96   2HB   LYS  15          2HB       LYS  15  -2.049 -11.403   5.701
   97   1HG   LYS  15          1HG       LYS  15  -1.549 -13.308   6.911
   98   2HG   LYS  15          2HG       LYS  15  -3.323 -13.382   6.798
   99   1HD   LYS  15          1HD       LYS  15  -2.765 -15.545   6.221
  100   2HD   LYS  15          2HD       LYS  15  -2.817 -14.775   4.617
  101   1HE   LYS  15          1HE       LYS  15  -0.609 -15.057   4.280
  102   2HE   LYS  15          2HE       LYS  15  -0.198 -14.584   5.943
  103   1HZ   LYS  15          1HZ       LYS  15   0.422 -16.820   5.739
  104   2HZ   LYS  15          2HZ       LYS  15  -1.012 -17.261   4.944
  105   3HZ   LYS  15          3HZ       LYS  15  -1.043 -16.868   6.591
  106    HA   PRO  16           HA       PRO  16  -4.881  -8.092   3.710
  107   1HB   PRO  16          1HB       PRO  16  -4.788  -6.722   6.104
  108   2HB   PRO  16          2HB       PRO  16  -6.219  -7.626   5.510
  109   1HG   PRO  16          1HG       PRO  16  -4.134  -8.503   7.449
  110   2HG   PRO  16          2HG       PRO  16  -5.917  -8.656   7.573
  111   1HD   PRO  16          1HD       PRO  16  -4.325 -10.720   6.820
  112   2HD   PRO  16          2HD       PRO  16  -5.934 -10.466   6.080
  113    H    TYR  17           H        TYR  17  -3.285  -7.090   2.718
  114    HA   TYR  17           HA       TYR  17  -0.708  -6.771   4.109
  115   1HB   TYR  17          1HB       TYR  17  -1.412  -7.318   1.236
  116   2HB   TYR  17          2HB       TYR  17   0.091  -6.461   1.618
  117    HD1  TYR  17           1HD      TYR  17  -1.492  -9.261   3.508
  118    HD2  TYR  17           2HD      TYR  17   1.741  -8.028   1.045
  119    HE1  TYR  17           1HE      TYR  17  -0.380 -11.414   3.907
  120    HE2  TYR  17           2HE      TYR  17   2.867 -10.175   1.433
  121    HH   TYR  17           HH       TYR  17   2.885 -12.002   2.967
  122    H    CYS  18           H        CYS  18   0.023  -4.769   4.404
  123    HA   CYS  18           HA       CYS  18  -1.492  -2.556   3.198
  124   1HB   CYS  18          1HB       CYS  18  -1.419  -2.633   5.672
  125   2HB   CYS  18          2HB       CYS  18   0.351  -2.580   5.610
  126    H    CYS  19           H        CYS  19  -0.559  -1.601   1.515
  127    HA   CYS  19           HA       CYS  19   2.313  -1.102   1.596
  128   1HB   CYS  19          1HB       CYS  19   1.701  -1.740  -1.105
  129   2HB   CYS  19          2HB       CYS  19   2.849  -2.536  -0.017
  130    H    GLN  20           H        GLN  20   2.942   0.300  -0.336
  131    HA   GLN  20           HA       GLN  20   1.196   2.587  -0.393
  132   1HB   GLN  20          1HB       GLN  20   3.873   2.309  -0.432
  133   2HB   GLN  20          2HB       GLN  20   3.564   2.437  -2.180
  134   1HG   GLN  20          1HG       GLN  20   2.167   4.449  -0.558
  135   2HG   GLN  20          2HG       GLN  20   3.940   4.538  -0.466
  136   1HE2  GLN  20          1HE2      GLN  20   4.793   3.895  -2.882
  137   2HE2  GLN  20          2HE2      GLN  20   4.194   4.992  -4.083
  138    H    SER  21           H        SER  21   0.596   3.654  -2.443
  139    HA   SER  21           HA       SER  21  -0.178   1.626  -4.430
  140   1HB   SER  21          1HB       SER  21  -1.972   3.890  -4.376
  141   2HB   SER  21          2HB       SER  21  -2.328   2.161  -4.146
  142    HG   SER  21           HG       SER  21  -1.357   3.955  -2.143
  143    H    MET  22           H        MET  22   1.218   2.004  -6.077
  144    HA   MET  22           HA       MET  22   1.721   4.675  -7.044
  145   1HB   MET  22          1HB       MET  22   3.213   2.504  -7.214
  146   2HB   MET  22          2HB       MET  22   2.253   2.227  -8.687
  147   1HG   MET  22          1HG       MET  22   3.014   4.272  -9.661
  148   2HG   MET  22          2HG       MET  22   3.764   4.790  -8.142
  149   1HE   MET  22          1HE       MET  22   4.790   0.799  -9.027
  150   2HE   MET  22          2HE       MET  22   3.446   1.544  -9.895
  151   3HE   MET  22          3HE       MET  22   4.980   1.259 -10.718
  152    H    SER  23           H        SER  23   0.167   5.750  -8.035
  153    HA   SER  23           HA       SER  23  -1.794   4.231  -9.626
  154   1HB   SER  23          1HB       SER  23  -2.270   7.031  -8.632
  155   2HB   SER  23          2HB       SER  23  -3.452   5.757  -9.017
  156    HG   SER  23           HG       SER  23  -1.587   5.412  -6.913
  157    H    GLY  24           H        GLY  24  -1.975   4.600 -11.735
  158   1HA   GLY  24          1HA       GLY  24  -0.280   6.693 -12.908
  159   2HA   GLY  24          2HA       GLY  24  -0.905   5.278 -13.749
  160    HA   PRO  25           HA       PRO  25  -3.613   9.287 -14.147
  161   1HB   PRO  25          1HB       PRO  25  -2.392   9.467 -16.866
  162   2HB   PRO  25          2HB       PRO  25  -2.712  10.736 -15.639
  163   1HG   PRO  25          1HG       PRO  25  -0.250   9.856 -16.157
  164   2HG   PRO  25          2HG       PRO  25  -0.744  10.402 -14.521
  165   1HD   PRO  25          1HD       PRO  25  -0.351   7.627 -15.634
  166   2HD   PRO  25          2HD       PRO  25  -0.016   8.261 -13.994
  167    H    ALA  26           H        ALA  26  -5.575   8.525 -14.532
  168    HA   ALA  26           HA       ALA  26  -5.997   6.521 -16.606
  169   1HB   ALA  26          1HB       ALA  26  -7.324   7.266 -14.133
  170   2HB   ALA  26          2HB       ALA  26  -8.457   7.073 -15.469
  171   3HB   ALA  26          3HB       ALA  26  -7.377   5.748 -15.031
  172    H    GLY  27           H        GLY  27  -8.265   6.875 -17.755
  173   1HA   GLY  27          1HA       GLY  27  -9.639   8.259 -19.044
  174   2HA   GLY  27          2HA       GLY  27  -8.735   9.658 -18.473
  175    H    SER  28           H        SER  28  -6.992  10.396 -19.627
  176    HA   SER  28           HA       SER  28  -6.326   8.895 -22.075
  177   1HB   SER  28          1HB       SER  28  -5.866  11.730 -22.397
  178   2HB   SER  28          2HB       SER  28  -6.880  10.638 -23.371
  179    HG   SER  28           HG       SER  28  -7.744  11.658 -20.863
  180    HA   PRO  29           HA       PRO  29  -2.422   9.555 -19.744
  181   1HB   PRO  29          1HB       PRO  29  -1.681   6.876 -20.660
  182   2HB   PRO  29          2HB       PRO  29  -2.000   7.473 -18.999
  183   1HG   PRO  29          1HG       PRO  29  -3.598   5.720 -20.329
  184   2HG   PRO  29          2HG       PRO  29  -4.151   6.772 -18.985
  185   1HD   PRO  29          1HD       PRO  29  -4.483   7.059 -21.971
  186   2HD   PRO  29          2HD       PRO  29  -5.615   7.472 -20.648
  187    H    GLY  30           H        GLY  30  -2.645  10.902 -22.007
  188   1HA   GLY  30          1HA       GLY  30  -1.127   9.828 -24.191
  189   2HA   GLY  30          2HA       GLY  30  -1.712  11.478 -24.038
  190    H    LEU  31           H        LEU  31  -0.388  11.653 -21.347
  191    HA   LEU  31           HA       LEU  31   2.258  12.366 -22.339
  192   1HB   LEU  31          1HB       LEU  31   0.509  13.458 -20.429
  193   2HB   LEU  31          2HB       LEU  31   1.879  12.799 -19.504
  194    HG   LEU  31           HG       LEU  31   2.055  14.829 -21.747
  195   1HD1  LEU  31          1HD1      LEU  31   3.104  15.906 -19.439
  196   2HD1  LEU  31          2HD1      LEU  31   1.517  16.264 -20.125
  197   3HD1  LEU  31          3HD1      LEU  31   1.678  15.033 -18.873
  198   1HD2  LEU  31          1HD2      LEU  31   4.124  13.947 -21.941
  199   2HD2  LEU  31          2HD2      LEU  31   4.445  14.898 -20.489
  200   3HD2  LEU  31          3HD2      LEU  31   4.060  13.180 -20.354
  201    H    LEU  32           H        LEU  32   0.842  10.531 -19.648
  202    HA   LEU  32           HA       LEU  32   2.940   8.542 -19.903
  203   1HB   LEU  32          1HB       LEU  32   3.563   8.604 -17.551
  204   2HB   LEU  32          2HB       LEU  32   3.902  10.163 -18.340
  205    HG   LEU  32           HG       LEU  32   1.282   9.995 -16.993
  206   1HD1  LEU  32          1HD1      LEU  32   2.718  10.561 -14.814
  207   2HD1  LEU  32          2HD1      LEU  32   2.158   8.931 -15.194
  208   3HD1  LEU  32          3HD1      LEU  32   3.812   9.408 -15.577
  209   1HD2  LEU  32          1HD2      LEU  32   3.566  11.965 -17.052
  210   2HD2  LEU  32          2HD2      LEU  32   2.033  12.074 -17.922
  211   3HD2  LEU  32          3HD2      LEU  32   2.062  12.216 -16.164
  212    H    ASN  33           H        ASN  33   2.243   6.546 -19.433
  213    HA   ASN  33           HA       ASN  33  -0.557   6.279 -18.620
  214   1HB   ASN  33          1HB       ASN  33   0.008   5.125 -20.665
  215   2HB   ASN  33          2HB       ASN  33   1.394   4.334 -19.883
  216   1HD2  ASN  33          1HD2      ASN  33  -2.126   4.554 -19.849
  217   2HD2  ASN  33          2HD2      ASN  33  -2.402   2.958 -19.251
  218    H    LEU  34           H        LEU  34   2.670   5.606 -17.636
  219    HA   LEU  34           HA       LEU  34   3.613   4.849 -15.741
  220   1HB   LEU  34          1HB       LEU  34   1.733   6.441 -14.815
  221   2HB   LEU  34          2HB       LEU  34   1.025   4.909 -14.249
  222    HG   LEU  34           HG       LEU  34   3.754   4.882 -13.501
  223   1HD1  LEU  34          1HD1      LEU  34   2.685   7.251 -12.159
  224   2HD1  LEU  34          2HD1      LEU  34   4.320   6.897 -12.713
  225   3HD1  LEU  34          3HD1      LEU  34   3.115   7.500 -13.851
  226   1HD2  LEU  34          1HD2      LEU  34   1.102   4.993 -12.162
  227   2HD2  LEU  34          2HD2      LEU  34   2.354   3.754 -12.090
  228   3HD2  LEU  34          3HD2      LEU  34   2.546   5.255 -11.186
  229    H    ILE  35           H        ILE  35   3.480   2.881 -17.205
  230    HA   ILE  35           HA       ILE  35   1.988   0.693 -15.991
  231    HB   ILE  35           HB       ILE  35   3.762  -0.468 -17.770
  232   1HG1  ILE  35          1HG1      ILE  35   2.789   1.424 -19.668
  233   2HG1  ILE  35          2HG1      ILE  35   3.650   2.319 -18.393
  234   1HG2  ILE  35          1HG2      ILE  35   1.758  -0.518 -19.315
  235   2HG2  ILE  35          2HG2      ILE  35   1.508  -1.136 -17.680
  236   3HG2  ILE  35          3HG2      ILE  35   0.932   0.475 -18.113
  237   1HD1  ILE  35          1HD1      ILE  35   4.788  -0.003 -19.955
  238   2HD1  ILE  35          2HD1      ILE  35   5.110   1.701 -20.274
  239   3HD1  ILE  35          3HD1      ILE  35   5.631   0.974 -18.754
  240    HA   PRO  36           HA       PRO  36   5.143  -0.115 -13.030
  241   1HB   PRO  36          1HB       PRO  36   4.860  -2.905 -12.885
  242   2HB   PRO  36          2HB       PRO  36   3.876  -1.691 -12.004
  243   1HG   PRO  36          1HG       PRO  36   3.254  -3.117 -14.538
  244   2HG   PRO  36          2HG       PRO  36   2.178  -2.773 -13.145
  245   1HD   PRO  36          1HD       PRO  36   2.060  -1.325 -15.413
  246   2HD   PRO  36          2HD       PRO  36   1.919  -0.528 -13.817
  247    H    VAL  37           H        VAL  37   7.222  -0.047 -13.463
  248    HA   VAL  37           HA       VAL  37   8.309  -1.564 -15.719
  249    HB   VAL  37           HB       VAL  37  10.083   0.244 -14.178
  250   1HG1  VAL  37          1HG1      VAL  37  11.258   0.096 -16.053
  251   2HG1  VAL  37          2HG1      VAL  37  10.034  -1.000 -16.693
  252   3HG1  VAL  37          3HG1      VAL  37   9.911   0.735 -16.994
  253   1HG2  VAL  37          1HG2      VAL  37   8.041   1.555 -14.134
  254   2HG2  VAL  37          2HG2      VAL  37   9.186   2.257 -15.279
  255   3HG2  VAL  37          3HG2      VAL  37   7.820   1.309 -15.866
  256    H    ASP  38           H        ASP  38   8.406  -3.617 -14.824
  257    HA   ASP  38           HA       ASP  38  10.607  -4.025 -12.958
  258   1HB   ASP  38          1HB       ASP  38   8.307  -3.937 -11.751
  259   2HB   ASP  38          2HB       ASP  38   8.021  -5.514 -12.519
  260    H    LEU  39           H        LEU  39  11.066  -6.444 -12.777
  261    HA   LEU  39           HA       LEU  39  10.964  -7.551 -15.478
  262   1HB   LEU  39          1HB       LEU  39  12.927  -7.473 -13.443
  263   2HB   LEU  39          2HB       LEU  39  12.455  -9.177 -13.643
  264    HG   LEU  39           HG       LEU  39  12.806  -8.189 -16.245
  265   1HD1  LEU  39          1HD1      LEU  39  14.074  -6.347 -15.858
  266   2HD1  LEU  39          2HD1      LEU  39  14.664  -6.940 -14.305
  267   3HD1  LEU  39          3HD1      LEU  39  15.350  -7.564 -15.805
  268   1HD2  LEU  39          1HD2      LEU  39  15.067  -9.602 -15.011
  269   2HD2  LEU  39          2HD2      LEU  39  13.494 -10.374 -14.799
  270   3HD2  LEU  39          3HD2      LEU  39  14.092 -10.024 -16.421
  271    H    SER  40           H        SER  40   9.630  -7.974 -12.336
  272    HA   SER  40           HA       SER  40   8.072 -10.223 -13.345
  273   1HB   SER  40          1HB       SER  40   9.615 -10.338 -10.735
  274   2HB   SER  40          2HB       SER  40   8.443 -11.554 -11.298
  275    HG   SER  40           HG       SER  40  10.358 -10.972 -13.172
  276    H    ALA  41           H        ALA  41   8.555  -8.556 -10.187
  277    HA   ALA  41           HA       ALA  41   5.945  -7.385 -10.281
  278   1HB   ALA  41          1HB       ALA  41   4.759  -9.107  -9.525
  279   2HB   ALA  41          2HB       ALA  41   6.211 -10.043  -9.171
  280   3HB   ALA  41          3HB       ALA  41   5.590  -8.896  -7.984
  281    H    SER  42           H        SER  42   6.570  -5.470  -9.511
  282    HA   SER  42           HA       SER  42   8.317  -5.215  -7.229
  283   1HB   SER  42          1HB       SER  42   7.157  -3.447  -9.263
  284   2HB   SER  42          2HB       SER  42   7.154  -2.729  -7.634
  285    HG   SER  42           HG       SER  42   9.401  -3.819  -9.030
  286    H    LEU  43           H        LEU  43   7.229  -6.199  -5.511
  287    HA   LEU  43           HA       LEU  43   4.995  -4.614  -4.482
  288   1HB   LEU  43          1HB       LEU  43   4.833  -7.332  -5.418
  289   2HB   LEU  43          2HB       LEU  43   4.499  -7.265  -3.671
  290    HG   LEU  43           HG       LEU  43   2.381  -6.978  -4.470
  291   1HD1  LEU  43          1HD1      LEU  43   3.645  -4.275  -4.312
  292   2HD1  LEU  43          2HD1      LEU  43   1.945  -4.427  -4.766
  293   3HD1  LEU  43          3HD1      LEU  43   2.504  -5.049  -3.211
  294   1HD2  LEU  43          1HD2      LEU  43   3.750  -6.006  -6.901
  295   2HD2  LEU  43          2HD2      LEU  43   2.404  -7.133  -6.728
  296   3HD2  LEU  43          3HD2      LEU  43   2.123  -5.395  -6.614
  297    H    GLY  44           H        GLY  44   5.971  -3.719  -2.792
  298   1HA   GLY  44          1HA       GLY  44   7.395  -5.489  -0.898
  299   2HA   GLY  44          2HA       GLY  44   7.615  -3.746  -1.014
  300    H    CYS  45           H        CYS  45   5.256  -6.235  -0.212
  301    HA   CYS  45           HA       CYS  45   3.730  -4.253   1.318
  302   1HB   CYS  45          1HB       CYS  45   2.989  -6.994   0.275
  303   2HB   CYS  45          2HB       CYS  45   1.938  -6.008   1.305
  304    H    VAL  46           H        VAL  46   2.939  -4.801   3.405
  305    HA   VAL  46           HA       VAL  46   4.254  -7.081   4.695
  306    HB   VAL  46           HB       VAL  46   5.143  -4.596   5.194
  307   1HG1  VAL  46          1HG1      VAL  46   2.780  -4.956   6.992
  308   2HG1  VAL  46          2HG1      VAL  46   4.180  -4.016   7.507
  309   3HG1  VAL  46          3HG1      VAL  46   3.274  -3.537   6.071
  310   1HG2  VAL  46          1HG2      VAL  46   4.970  -7.029   6.894
  311   2HG2  VAL  46          2HG2      VAL  46   6.368  -6.290   6.114
  312   3HG2  VAL  46          3HG2      VAL  46   5.681  -5.562   7.568
  313    H    VAL  47           H        VAL  47   3.112  -7.762   6.690
  314    HA   VAL  47           HA       VAL  47   0.338  -8.023   6.145
  315    HB   VAL  47           HB       VAL  47   1.811  -8.746   8.689
  316   1HG1  VAL  47          1HG1      VAL  47  -0.625  -8.630   8.961
  317   2HG1  VAL  47          2HG1      VAL  47  -0.826  -9.733   7.601
  318   3HG1  VAL  47          3HG1      VAL  47  -0.038 -10.289   9.079
  319   1HG2  VAL  47          1HG2      VAL  47   2.682  -9.775   6.555
  320   2HG2  VAL  47          2HG2      VAL  47   2.140 -10.913   7.786
  321   3HG2  VAL  47          3HG2      VAL  47   1.115 -10.566   6.393
  322    H    GLY  48           H        GLY  48  -1.216  -6.647   6.583
  323   1HA   GLY  48          1HA       GLY  48  -0.785  -4.507   8.522
  324   2HA   GLY  48          2HA       GLY  48  -2.125  -4.636   7.388
  325    H    VAL  49           H        VAL  49  -1.263  -4.897  10.576
  326    HA   VAL  49           HA       VAL  49  -2.918  -7.134  11.268
  327    HB   VAL  49           HB       VAL  49  -0.789  -6.159  12.498
  328   1HG1  VAL  49          1HG1      VAL  49  -1.057  -4.459  13.907
  329   2HG1  VAL  49          2HG1      VAL  49  -2.601  -4.156  13.111
  330   3HG1  VAL  49          3HG1      VAL  49  -2.539  -5.145  14.572
  331   1HG2  VAL  49          1HG2      VAL  49  -1.537  -7.360  14.539
  332   2HG2  VAL  49          2HG2      VAL  49  -3.156  -7.443  13.844
  333   3HG2  VAL  49          3HG2      VAL  49  -1.810  -8.255  13.044
  334    H    ILE  50           H        ILE  50  -4.763  -7.111  12.527
  335    HA   ILE  50           HA       ILE  50  -6.759  -5.305  11.818
  336    HB   ILE  50           HB       ILE  50  -6.689  -7.120  14.236
  337   1HG1  ILE  50          1HG1      ILE  50  -8.226  -8.420  12.445
  338   2HG1  ILE  50          2HG1      ILE  50  -7.110  -7.588  11.335
  339   1HG2  ILE  50          1HG2      ILE  50  -9.128  -7.073  14.090
  340   2HG2  ILE  50          2HG2      ILE  50  -8.466  -5.461  14.365
  341   3HG2  ILE  50          3HG2      ILE  50  -9.028  -5.922  12.756
  342   1HD1  ILE  50          1HD1      ILE  50  -5.211  -8.603  12.505
  343   2HD1  ILE  50          2HD1      ILE  50  -6.324  -9.439  13.589
  344   3HD1  ILE  50          3HD1      ILE  50  -6.311  -9.827  11.868
  345    H    GLY  51           H        GLY  51  -7.203  -3.324  12.496
  346   1HA   GLY  51          1HA       GLY  51  -7.714  -1.901  14.427
  347   2HA   GLY  51          2HA       GLY  51  -6.245  -2.519  15.170
  348    H    SER  52           H        SER  52  -4.892  -2.353  12.469
  349    HA   SER  52           HA       SER  52  -3.986   0.374  12.794
  350   1HB   SER  52          1HB       SER  52  -3.097  -1.675  10.746
  351   2HB   SER  52          2HB       SER  52  -2.228  -0.204  11.247
  352    HG   SER  52           HG       SER  52  -2.854  -1.792  13.371
  353    H    GLN  53           H        GLN  53  -3.981   1.959  11.174
  354    HA   GLN  53           HA       GLN  53  -6.080   1.595   9.129
  355   1HB   GLN  53          1HB       GLN  53  -5.197   4.259  10.239
  356   2HB   GLN  53          2HB       GLN  53  -6.686   3.869   9.345
  357   1HG   GLN  53          1HG       GLN  53  -7.784   3.274  11.202
  358   2HG   GLN  53          2HG       GLN  53  -6.393   2.381  11.854
  359   1HE2  GLN  53          1HE2      GLN  53  -7.817   5.573  11.491
  360   2HE2  GLN  53          2HE2      GLN  53  -7.016   6.296  12.844
  361    H    CYS  54           H        CYS  54  -5.359   1.591   7.114
  362    HA   CYS  54           HA       CYS  54  -2.726   2.807   6.587
  363   1HB   CYS  54          1HB       CYS  54  -4.147   0.461   5.321
  364   2HB   CYS  54          2HB       CYS  54  -2.775   1.263   4.539
  365    H    GLY  55           H        GLY  55  -2.965   4.757   5.694
  366   1HA   GLY  55          1HA       GLY  55  -5.244   5.381   4.011
  367   2HA   GLY  55          2HA       GLY  55  -3.945   6.476   4.467
  368    H    ALA  56           H        ALA  56  -4.090   3.370   2.754
  369    HA   ALA  56           HA       ALA  56  -3.004   4.584   0.349
  370   1HB   ALA  56          1HB       ALA  56  -1.447   2.224   0.986
  371   2HB   ALA  56          2HB       ALA  56  -0.907   3.835   0.513
  372   3HB   ALA  56          3HB       ALA  56  -1.252   3.483   2.205
  373    H    SER  57           H        SER  57  -2.291   1.296   0.479
  374    HA   SER  57           HA       SER  57  -4.965   0.571  -0.507
  375   1HB   SER  57          1HB       SER  57  -2.295  -0.058  -1.786
  376   2HB   SER  57          2HB       SER  57  -3.801  -0.912  -2.200
  377    HG   SER  57           HG       SER  57  -3.190   1.849  -2.520
  378    H    VAL  58           H        VAL  58  -5.783  -0.973   0.694
  379    HA   VAL  58           HA       VAL  58  -3.992  -2.939   1.933
  380    HB   VAL  58           HB       VAL  58  -6.926  -2.496   2.516
  381   1HG1  VAL  58          1HG1      VAL  58  -6.769  -4.078   4.155
  382   2HG1  VAL  58          2HG1      VAL  58  -5.593  -4.727   3.012
  383   3HG1  VAL  58          3HG1      VAL  58  -5.045  -3.802   4.408
  384   1HG2  VAL  58          1HG2      VAL  58  -4.951  -1.757   4.553
  385   2HG2  VAL  58          2HG2      VAL  58  -4.960  -0.724   3.122
  386   3HG2  VAL  58          3HG2      VAL  58  -6.436  -0.942   4.062
  387    H    LYS  59           H        LYS  59  -3.743  -4.747   0.849
  388    HA   LYS  59           HA       LYS  59  -5.997  -5.780  -0.744
  389   1HB   LYS  59          1HB       LYS  59  -4.277  -6.706  -2.318
  390   2HB   LYS  59          2HB       LYS  59  -4.410  -4.931  -2.317
  391   1HG   LYS  59          1HG       LYS  59  -2.472  -5.423  -0.410
  392   2HG   LYS  59          2HG       LYS  59  -2.145  -6.652  -1.654
  393   1HD   LYS  59          1HD       LYS  59  -2.722  -3.893  -2.610
  394   2HD   LYS  59          2HD       LYS  59  -1.173  -4.145  -1.770
  395   1HE   LYS  59          1HE       LYS  59  -0.502  -5.822  -3.326
  396   2HE   LYS  59          2HE       LYS  59  -2.128  -5.909  -4.036
  397   1HZ   LYS  59          1HZ       LYS  59  -1.800  -3.559  -4.754
  398   2HZ   LYS  59          2HZ       LYS  59  -0.759  -4.670  -5.496
  399   3HZ   LYS  59          3HZ       LYS  59  -0.183  -3.665  -4.254
  400    H    CYS  60           H        CYS  60  -5.639  -8.194  -1.224
  401    HA   CYS  60           HA       CYS  60  -4.562  -9.449   1.208
  402   1HB   CYS  60          1HB       CYS  60  -6.773 -10.339  -0.657
  403   2HB   CYS  60          2HB       CYS  60  -6.088 -11.369   0.611
  404    H    CYS  61           H        CYS  61  -2.781 -10.599   0.960
  405    HA   CYS  61           HA       CYS  61  -2.231 -11.724  -1.697
  406   1HB   CYS  61          1HB       CYS  61  -0.910  -9.548  -0.693
  407   2HB   CYS  61          2HB       CYS  61   0.131 -10.876  -0.153
  408    H    LYS  62           H        LYS  62  -1.155 -13.635  -1.755
  409    HA   LYS  62           HA       LYS  62  -0.361 -14.858   0.777
  410   1HB   LYS  62          1HB       LYS  62  -2.630 -15.679  -0.058
  411   2HB   LYS  62          2HB       LYS  62  -1.740 -16.406  -1.417
  412   1HG   LYS  62          1HG       LYS  62  -0.487 -17.111   1.081
  413   2HG   LYS  62          2HG       LYS  62  -2.221 -17.508   1.128
  414   1HD   LYS  62          1HD       LYS  62  -1.594 -18.413  -1.345
  415   2HD   LYS  62          2HD       LYS  62  -0.037 -18.658  -0.518
  416   1HE   LYS  62          1HE       LYS  62  -0.891 -20.215   0.932
  417   2HE   LYS  62          2HE       LYS  62  -2.523 -19.511   0.899
  418   1HZ   LYS  62          1HZ       LYS  62  -1.397 -20.853  -1.489
  419   2HZ   LYS  62          2HZ       LYS  62  -3.024 -20.574  -1.088
  420   3HZ   LYS  62          3HZ       LYS  62  -2.134 -21.747  -0.250
  421    H    ASP  63           H        ASP  63   1.549 -15.705   0.712
  422    HA   ASP  63           HA       ASP  63   2.702 -17.015  -1.528
  423   1HB   ASP  63          1HB       ASP  63   3.135 -14.200  -1.359
  424   2HB   ASP  63          2HB       ASP  63   4.652 -15.001  -0.895
  425    H    ASP  64           H        ASP  64   5.219 -17.358  -0.868
  426    HA   ASP  64           HA       ASP  64   5.123 -17.989   2.007
  427   1HB   ASP  64          1HB       ASP  64   5.103 -19.872   0.108
  428   2HB   ASP  64          2HB       ASP  64   6.858 -19.617   0.218
  429    H    VAL  65           H        VAL  65   6.299 -16.430   2.902
  430    HA   VAL  65           HA       VAL  65   9.017 -15.986   1.853
  431    HB   VAL  65           HB       VAL  65   8.053 -14.147   3.938
  432   1HG1  VAL  65          1HG1      VAL  65   9.457 -13.851   1.292
  433   2HG1  VAL  65          2HG1      VAL  65   9.039 -12.490   2.331
  434   3HG1  VAL  65          3HG1      VAL  65  10.152 -13.730   2.907
  435   1HG2  VAL  65          1HG2      VAL  65   6.533 -12.892   2.627
  436   2HG2  VAL  65          2HG2      VAL  65   6.894 -13.827   1.177
  437   3HG2  VAL  65          3HG2      VAL  65   6.004 -14.569   2.505
  438    H    THR  66           H        THR  66  10.738 -15.860   3.397
  439    HA   THR  66           HA       THR  66  10.169 -17.433   5.816
  440    HB   THR  66           HB       THR  66  12.984 -17.119   5.027
  441    HG1  THR  66           1HG      THR  66  12.078 -17.337   2.955
  442   1HG2  THR  66          1HG2      THR  66  11.280 -19.535   5.631
  443   2HG2  THR  66          2HG2      THR  66  12.177 -18.602   6.830
  444   3HG2  THR  66          3HG2      THR  66  13.041 -19.485   5.569
  445    H    ASN  67           H        ASN  67  10.190 -16.373   7.662
  446    HA   ASN  67           HA       ASN  67  11.586 -13.815   7.844
  447   1HB   ASN  67          1HB       ASN  67   9.149 -14.510   8.769
  448   2HB   ASN  67          2HB       ASN  67  10.129 -14.892  10.202
  449   1HD2  ASN  67          1HD2      ASN  67  10.186 -13.302  11.589
  450   2HD2  ASN  67          2HD2      ASN  67  10.196 -11.609  11.222
  451    H    THR  68           H        THR  68  13.445 -15.539   7.535
  452    HA   THR  68           HA       THR  68  14.347 -16.838   9.927
  453    HB   THR  68           HB       THR  68  16.487 -16.679   8.137
  454    HG1  THR  68           1HG      THR  68  15.594 -16.914   6.119
  455   1HG2  THR  68          1HG2      THR  68  14.469 -18.677   8.958
  456   2HG2  THR  68          2HG2      THR  68  16.229 -18.784   8.950
  457   3HG2  THR  68          3HG2      THR  68  15.325 -19.017   7.455
  458    H    GLY  69           H        GLY  69  14.678 -13.778   8.485
  459   1HA   GLY  69          1HA       GLY  69  15.812 -12.451  10.603
  460   2HA   GLY  69          2HA       GLY  69  17.173 -13.003   9.632
  461    H    ASN  70           H        ASN  70  13.960 -11.657   8.950
  462    HA   ASN  70           HA       ASN  70  15.233  -9.878   6.975
  463   1HB   ASN  70          1HB       ASN  70  12.732 -11.521   6.909
  464   2HB   ASN  70          2HB       ASN  70  12.735  -9.965   6.050
  465   1HD2  ASN  70          1HD2      ASN  70  12.715 -12.873   5.195
  466   2HD2  ASN  70          2HD2      ASN  70  13.975 -12.975   4.010
  467    H    SER  71           H        SER  71  13.998  -7.871   6.545
  468    HA   SER  71           HA       SER  71  13.110  -6.670   9.033
  469   1HB   SER  71          1HB       SER  71  12.823  -4.878   6.831
  470   2HB   SER  71          2HB       SER  71  14.056  -4.854   8.114
  471    HG   SER  71           HG       SER  71  15.391  -6.115   6.853
  472    H    PHE  72           H        PHE  72  11.850  -7.393   5.808
  473    HA   PHE  72           HA       PHE  72   9.162  -7.499   6.919
  474   1HB   PHE  72          1HB       PHE  72   8.174  -5.934   5.552
  475   2HB   PHE  72          2HB       PHE  72   9.748  -5.171   5.834
  476    HD1  PHE  72           1HD      PHE  72  11.582  -5.650   4.043
  477    HD2  PHE  72           2HD      PHE  72   7.415  -6.218   3.400
  478    HE1  PHE  72           1HE      PHE  72  11.941  -5.515   1.612
  479    HE2  PHE  72           2HE      PHE  72   7.761  -6.089   0.976
  480    HZ   PHE  72           HZ       PHE  72  10.030  -5.736   0.073
  481    H    LEU  73           H        LEU  73   7.631  -8.477   5.276
  482    HA   LEU  73           HA       LEU  73   8.981 -10.763   4.112
  483   1HB   LEU  73          1HB       LEU  73   6.352 -11.177   3.573
  484   2HB   LEU  73          2HB       LEU  73   7.163 -11.665   5.080
  485    HG   LEU  73           HG       LEU  73   6.286  -8.966   5.370
  486   1HD1  LEU  73          1HD1      LEU  73   3.954 -10.735   4.765
  487   2HD1  LEU  73          2HD1      LEU  73   4.031  -8.975   4.872
  488   3HD1  LEU  73          3HD1      LEU  73   4.727  -9.806   3.480
  489   1HD2  LEU  73          1HD2      LEU  73   4.648 -10.511   6.924
  490   2HD2  LEU  73          2HD2      LEU  73   6.041 -11.562   6.679
  491   3HD2  LEU  73          3HD2      LEU  73   6.261  -9.959   7.374
  492    H    ILE  74           H        ILE  74   9.973  -9.958   2.272
  493    HA   ILE  74           HA       ILE  74   8.576  -8.529   0.258
  494    HB   ILE  74           HB       ILE  74  10.934  -8.307   0.222
  495   1HG1  ILE  74          1HG1      ILE  74  10.919 -10.174  -2.045
  496   2HG1  ILE  74          2HG1      ILE  74   9.529  -9.064  -2.010
  497   1HG2  ILE  74          1HG2      ILE  74  12.528 -10.055   0.169
  498   2HG2  ILE  74          2HG2      ILE  74  11.361 -10.473   1.422
  499   3HG2  ILE  74          3HG2      ILE  74  11.289 -11.268  -0.151
  500   1HD1  ILE  74          1HD1      ILE  74  11.651  -8.361  -3.291
  501   2HD1  ILE  74          2HD1      ILE  74  10.880  -7.181  -2.229
  502   3HD1  ILE  74          3HD1      ILE  74  12.330  -8.035  -1.697
  503    H    ILE  75           H        ILE  75   6.962  -9.316  -0.878
  504    HA   ILE  75           HA       ILE  75   6.630 -12.201  -1.072
  505    HB   ILE  75           HB       ILE  75   4.392 -11.272  -2.227
  506   1HG1  ILE  75          1HG1      ILE  75   4.598  -9.247  -0.072
  507   2HG1  ILE  75          2HG1      ILE  75   5.525  -8.905  -1.553
  508   1HG2  ILE  75          1HG2      ILE  75   4.126 -11.056   0.647
  509   2HG2  ILE  75          2HG2      ILE  75   3.459 -12.252  -0.464
  510   3HG2  ILE  75          3HG2      ILE  75   5.091 -12.454   0.175
  511   1HD1  ILE  75          1HD1      ILE  75   3.014  -9.710  -2.455
  512   2HD1  ILE  75          2HD1      ILE  75   2.685  -8.684  -1.057
  513   3HD1  ILE  75          3HD1      ILE  75   3.648  -8.065  -2.400
  514    H    ASN  76           H        ASN  76   6.104 -13.242  -3.012
  515    HA   ASN  76           HA       ASN  76   7.513 -12.241  -5.320
  516   1HB   ASN  76          1HB       ASN  76   7.575 -14.637  -4.606
  517   2HB   ASN  76          2HB       ASN  76   5.846 -14.758  -4.998
  518   1HD2  ASN  76          1HD2      ASN  76   5.985 -16.213  -6.602
  519   2HD2  ASN  76          2HD2      ASN  76   6.762 -15.917  -8.124
  520    H    ALA  77           H        ALA  77   4.452 -11.983  -4.048
  521    HA   ALA  77           HA       ALA  77   2.495 -11.092  -4.731
  522   1HB   ALA  77          1HB       ALA  77   3.229  -9.187  -5.691
  523   2HB   ALA  77          2HB       ALA  77   4.406 -10.021  -6.706
  524   3HB   ALA  77          3HB       ALA  77   2.704  -9.984  -7.175
  525    H    ALA  78           H        ALA  78   3.150 -13.822  -5.248
  526    HA   ALA  78           HA       ALA  78   2.243 -14.594  -7.835
  527   1HB   ALA  78          1HB       ALA  78   3.503 -15.872  -5.776
  528   2HB   ALA  78          2HB       ALA  78   1.882 -16.559  -5.698
  529   3HB   ALA  78          3HB       ALA  78   2.813 -16.664  -7.193
  530    H    ASN  79           H        ASN  79   0.698 -14.858  -4.624
  531    HA   ASN  79           HA       ASN  79  -1.895 -14.960  -6.014
  532   1HB   ASN  79          1HB       ASN  79  -1.390 -15.686  -3.121
  533   2HB   ASN  79          2HB       ASN  79  -2.796 -16.101  -4.125
  534   1HD2  ASN  79          1HD2      ASN  79   0.484 -16.879  -3.310
  535   2HD2  ASN  79          2HD2      ASN  79   0.558 -18.385  -4.162
  536    H    CYS  80           H        CYS  80  -2.010 -12.645  -6.262
  537    HA   CYS  80           HA       CYS  80  -2.599 -11.299  -3.712
  538   1HB   CYS  80          1HB       CYS  80  -0.591 -10.626  -5.572
  539   2HB   CYS  80          2HB       CYS  80  -1.872  -9.423  -5.788
  540    H    VAL  81           H        VAL  81  -4.546 -10.420  -3.534
  541    HA   VAL  81           HA       VAL  81  -6.066  -9.852  -5.986
  542    HB   VAL  81           HB       VAL  81  -8.115 -10.577  -4.497
  543   1HG1  VAL  81          1HG1      VAL  81  -7.781 -11.571  -6.596
  544   2HG1  VAL  81          2HG1      VAL  81  -6.294 -12.365  -6.080
  545   3HG1  VAL  81          3HG1      VAL  81  -7.850 -12.916  -5.458
  546   1HG2  VAL  81          1HG2      VAL  81  -7.766 -11.943  -2.751
  547   2HG2  VAL  81          2HG2      VAL  81  -6.440 -12.789  -3.553
  548   3HG2  VAL  81          3HG2      VAL  81  -6.142 -11.251  -2.742
  549    H    ALA  82           H        ALA  82  -6.679  -7.844  -6.038
  550    HA   ALA  82           HA       ALA  82  -7.301  -6.466  -3.507
  551   1HB   ALA  82          1HB       ALA  82  -5.344  -5.740  -5.288
  552   2HB   ALA  82          2HB       ALA  82  -6.708  -4.745  -5.799
  553   3HB   ALA  82          3HB       ALA  82  -6.127  -4.656  -4.136
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -11.983   5.984   6.630
    2   2H    ALA   1          2H        ALA   1 -11.307   6.272   5.099
    3   3H    ALA   1          3H        ALA   1 -11.153   7.434   6.325
    4    HA   ALA   1           HA       ALA   1  -9.102   6.191   5.979
    5   1HB   ALA   1          1HB       ALA   1 -10.510   6.575   8.453
    6   2HB   ALA   1          2HB       ALA   1  -9.473   5.151   8.554
    7   3HB   ALA   1          3HB       ALA   1  -8.783   6.715   8.116
    8    H    THR   2           H        THR   2  -8.239   4.310   5.344
    9    HA   THR   2           HA       THR   2  -9.944   2.009   5.071
   10    HB   THR   2           HB       THR   2  -7.027   1.827   4.499
   11    HG1  THR   2           1HG      THR   2  -8.422   3.055   2.468
   12   1HG2  THR   2          1HG2      THR   2  -9.168   1.233   2.530
   13   2HG2  THR   2          2HG2      THR   2  -9.070   0.204   3.958
   14   3HG2  THR   2          3HG2      THR   2  -7.679   0.354   2.884
   15    H    THR   3           H        THR   3 -10.306   0.765   6.794
   16    HA   THR   3           HA       THR   3  -8.145   0.365   8.744
   17    HB   THR   3           HB       THR   3 -10.890  -0.714   9.185
   18    HG1  THR   3           1HG      THR   3 -10.769   1.655   8.341
   19   1HG2  THR   3          1HG2      THR   3  -9.651  -1.133  11.056
   20   2HG2  THR   3          2HG2      THR   3 -10.196   0.493  11.464
   21   3HG2  THR   3          3HG2      THR   3  -8.584   0.247  10.793
   22    H    ILE   4           H        ILE   4  -7.190  -1.571   9.018
   23    HA   ILE   4           HA       ILE   4  -8.083  -3.774   7.306
   24    HB   ILE   4           HB       ILE   4  -5.495  -3.403   8.830
   25   1HG1  ILE   4          1HG1      ILE   4  -6.331  -3.046   5.969
   26   2HG1  ILE   4          2HG1      ILE   4  -5.363  -1.968   7.003
   27   1HG2  ILE   4          1HG2      ILE   4  -5.391  -5.475   6.855
   28   2HG2  ILE   4          2HG2      ILE   4  -5.069  -5.567   8.585
   29   3HG2  ILE   4          3HG2      ILE   4  -6.708  -5.793   7.981
   30   1HD1  ILE   4          1HD1      ILE   4  -4.522  -4.292   5.355
   31   2HD1  ILE   4          2HD1      ILE   4  -3.704  -2.759   5.665
   32   3HD1  ILE   4          3HD1      ILE   4  -3.681  -4.034   6.883
   33    H    GLY   5           H        GLY   5  -9.683  -4.823   8.353
   34   1HA   GLY   5          1HA       GLY   5  -9.139  -5.679  11.130
   35   2HA   GLY   5          2HA       GLY   5 -10.748  -5.441  10.462
   36    HA   PRO   6           HA       PRO   6  -9.676  -9.991  10.243
   37   1HB   PRO   6          1HB       PRO   6 -12.128 -10.846  11.160
   38   2HB   PRO   6          2HB       PRO   6 -10.756 -10.412  12.230
   39   1HG   PRO   6          1HG       PRO   6 -13.061  -8.704  11.392
   40   2HG   PRO   6          2HG       PRO   6 -12.449  -9.007  13.051
   41   1HD   PRO   6          1HD       PRO   6 -11.784  -6.772  11.714
   42   2HD   PRO   6          2HD       PRO   6 -10.544  -7.650  12.660
   43    H    ASN   7           H        ASN   7 -12.354  -7.997   9.202
   44    HA   ASN   7           HA       ASN   7 -12.932  -9.896   7.029
   45   1HB   ASN   7          1HB       ASN   7 -14.599  -8.039   8.634
   46   2HB   ASN   7          2HB       ASN   7 -14.994  -8.145   6.905
   47   1HD2  ASN   7          1HD2      ASN   7 -16.325  -9.112   9.453
   48   2HD2  ASN   7          2HD2      ASN   7 -16.671 -10.785   9.136
   49    H    THR   8           H        THR   8 -10.720  -8.650   6.524
   50    HA   THR   8           HA       THR   8 -10.980  -6.073   5.343
   51    HB   THR   8           HB       THR   8  -8.727  -7.414   4.263
   52    HG1  THR   8           1HG      THR   8  -8.817  -7.758   7.084
   53   1HG2  THR   8          1HG2      THR   8  -8.555  -5.134   4.767
   54   2HG2  THR   8          2HG2      THR   8  -7.554  -5.915   5.990
   55   3HG2  THR   8          3HG2      THR   8  -9.176  -5.355   6.402
   56    H    CYS   9           H        CYS   9  -9.889  -9.035   3.712
   57    HA   CYS   9           HA       CYS   9 -11.367  -8.167   1.328
   58   1HB   CYS   9          1HB       CYS   9  -9.335 -10.360   1.243
   59   2HB   CYS   9          2HB       CYS   9  -9.773  -9.179  -0.002
   60    H    SER  10           H        SER  10 -13.088  -9.283   0.691
   61    HA   SER  10           HA       SER  10 -13.969 -11.527   2.241
   62   1HB   SER  10          1HB       SER  10 -15.524 -10.914  -0.159
   63   2HB   SER  10          2HB       SER  10 -16.011 -10.878   1.553
   64    HG   SER  10           HG       SER  10 -15.432  -8.797   1.702
   65    H    ILE  11           H        ILE  11 -12.039 -12.802   1.539
   66    HA   ILE  11           HA       ILE  11 -12.829 -14.581  -0.630
   67    HB   ILE  11           HB       ILE  11 -10.190 -14.602  -1.129
   68   1HG1  ILE  11          1HG1      ILE  11 -10.860 -11.738  -0.398
   69   2HG1  ILE  11          2HG1      ILE  11  -9.637 -12.779   0.371
   70   1HG2  ILE  11          1HG2      ILE  11 -11.954 -12.577  -2.472
   71   2HG2  ILE  11          2HG2      ILE  11 -10.682 -13.573  -3.180
   72   3HG2  ILE  11          3HG2      ILE  11 -12.195 -14.315  -2.662
   73   1HD1  ILE  11          1HD1      ILE  11  -9.438 -12.153  -2.551
   74   2HD1  ILE  11          2HD1      ILE  11  -8.906 -10.972  -1.354
   75   3HD1  ILE  11          3HD1      ILE  11  -8.169 -12.572  -1.400
   76    H    ASP  12           H        ASP  12 -10.499 -16.156  -0.604
   77    HA   ASP  12           HA       ASP  12 -10.815 -17.677   1.769
   78   1HB   ASP  12          1HB       ASP  12  -9.945 -18.363  -0.608
   79   2HB   ASP  12          2HB       ASP  12  -8.364 -17.862   0.030
   80    H    ASP  13           H        ASP  13  -8.609 -18.340   2.936
   81    HA   ASP  13           HA       ASP  13  -7.848 -16.111   4.494
   82   1HB   ASP  13          1HB       ASP  13  -7.801 -18.437   5.338
   83   2HB   ASP  13          2HB       ASP  13  -6.439 -18.786   4.251
   84    H    TYR  14           H        TYR  14  -6.908 -14.477   3.454
   85    HA   TYR  14           HA       TYR  14  -4.450 -15.010   1.930
   86   1HB   TYR  14          1HB       TYR  14  -6.691 -13.057   1.579
   87   2HB   TYR  14          2HB       TYR  14  -5.062 -12.550   1.102
   88    HD1  TYR  14           1HD      TYR  14  -7.907 -14.698   0.280
   89    HD2  TYR  14           2HD      TYR  14  -3.889 -13.720  -0.714
   90    HE1  TYR  14           1HE      TYR  14  -8.156 -15.876  -1.865
   91    HE2  TYR  14           2HE      TYR  14  -4.123 -14.899  -2.852
   92    HH   TYR  14           HH       TYR  14  -5.767 -15.660  -4.366
   93    H    LYS  15           H        LYS  15  -2.732 -13.417   2.166
   94    HA   LYS  15           HA       LYS  15  -2.651 -12.330   4.868
   95   1HB   LYS  15          1HB       LYS  15  -0.619 -12.959   2.769
   96   2HB   LYS  15          2HB       LYS  15  -0.235 -11.688   3.955
   97   1HG   LYS  15          1HG       LYS  15  -1.185 -13.738   5.540
   98   2HG   LYS  15          2HG       LYS  15  -0.302 -14.603   4.260
   99   1HD   LYS  15          1HD       LYS  15   1.268 -12.350   5.062
  100   2HD   LYS  15          2HD       LYS  15   0.746 -13.214   6.527
  101   1HE   LYS  15          1HE       LYS  15   1.487 -15.234   4.741
  102   2HE   LYS  15          2HE       LYS  15   2.713 -13.967   4.516
  103   1HZ   LYS  15          1HZ       LYS  15   3.674 -14.714   6.351
  104   2HZ   LYS  15          2HZ       LYS  15   2.408 -15.797   6.662
  105   3HZ   LYS  15          3HZ       LYS  15   2.335 -14.209   7.256
  106    HA   PRO  16           HA       PRO  16  -3.736  -8.353   3.112
  107   1HB   PRO  16          1HB       PRO  16  -3.930  -7.341   5.829
  108   2HB   PRO  16          2HB       PRO  16  -5.241  -7.797   4.692
  109   1HG   PRO  16          1HG       PRO  16  -4.638  -9.133   7.009
  110   2HG   PRO  16          2HG       PRO  16  -5.564  -9.823   5.636
  111   1HD   PRO  16          1HD       PRO  16  -2.671 -10.168   6.426
  112   2HD   PRO  16          2HD       PRO  16  -3.808 -11.345   5.700
  113    H    TYR  17           H        TYR  17  -2.429  -6.786   2.489
  114    HA   TYR  17           HA       TYR  17  -0.085  -6.153   4.154
  115   1HB   TYR  17          1HB       TYR  17  -0.283  -6.514   1.161
  116   2HB   TYR  17          2HB       TYR  17   1.084  -5.698   1.939
  117    HD1  TYR  17           1HD      TYR  17  -0.311  -8.852   0.979
  118    HD2  TYR  17           2HD      TYR  17   2.406  -7.025   3.691
  119    HE1  TYR  17           1HE      TYR  17   0.759 -11.030   1.357
  120    HE2  TYR  17           2HE      TYR  17   3.491  -9.189   4.078
  121    HH   TYR  17           HH       TYR  17   2.930 -11.910   2.120
  122    H    CYS  18           H        CYS  18   0.434  -4.037   4.389
  123    HA   CYS  18           HA       CYS  18  -1.360  -2.057   3.192
  124   1HB   CYS  18          1HB       CYS  18   0.615  -2.000   5.472
  125   2HB   CYS  18          2HB       CYS  18   0.062  -0.492   4.726
  126    H    CYS  19           H        CYS  19  -0.739  -1.351   1.236
  127    HA   CYS  19           HA       CYS  19   2.077  -0.587   0.940
  128   1HB   CYS  19          1HB       CYS  19   0.615  -1.469  -1.499
  129   2HB   CYS  19          2HB       CYS  19   2.336  -1.599  -1.100
  130    H    GLN  20           H        GLN  20   2.459   1.336  -0.111
  131    HA   GLN  20           HA       GLN  20   0.113   3.025  -0.519
  132   1HB   GLN  20          1HB       GLN  20   3.054   3.504  -0.184
  133   2HB   GLN  20          2HB       GLN  20   2.062   4.742  -0.992
  134   1HG   GLN  20          1HG       GLN  20   2.023   5.464   1.193
  135   2HG   GLN  20          2HG       GLN  20   0.533   4.501   1.107
  136   1HE2  GLN  20          1HE2      GLN  20   3.954   3.615   1.491
  137   2HE2  GLN  20          2HE2      GLN  20   3.726   2.705   2.945
  138    H    SER  21           H        SER  21  -0.794   2.718  -2.455
  139    HA   SER  21           HA       SER  21   0.804   2.205  -4.802
  140   1HB   SER  21          1HB       SER  21  -2.121   2.798  -4.979
  141   2HB   SER  21          2HB       SER  21  -1.155   1.575  -5.839
  142    HG   SER  21           HG       SER  21  -2.495   1.400  -3.433
  143    H    MET  22           H        MET  22   1.190   3.594  -6.470
  144    HA   MET  22           HA       MET  22   0.885   6.405  -5.906
  145   1HB   MET  22          1HB       MET  22   2.977   5.759  -6.824
  146   2HB   MET  22          2HB       MET  22   2.189   4.867  -8.148
  147   1HG   MET  22          1HG       MET  22   1.449   6.936  -9.159
  148   2HG   MET  22          2HG       MET  22   2.077   7.873  -7.793
  149   1HE   MET  22          1HE       MET  22   4.257   8.080  -7.093
  150   2HE   MET  22          2HE       MET  22   5.749   7.794  -7.990
  151   3HE   MET  22          3HE       MET  22   4.717   9.164  -8.409
  152    H    SER  23           H        SER  23  -0.873   7.445  -6.357
  153    HA   SER  23           HA       SER  23  -2.822   6.330  -8.190
  154   1HB   SER  23          1HB       SER  23  -3.214   8.920  -6.723
  155   2HB   SER  23          2HB       SER  23  -4.402   7.656  -7.124
  156    HG   SER  23           HG       SER  23  -3.986   7.434  -4.968
  157    H    GLY  24           H        GLY  24  -0.707   7.084  -9.684
  158   1HA   GLY  24          1HA       GLY  24  -1.210   9.743 -10.758
  159   2HA   GLY  24          2HA       GLY  24   0.036   8.620 -11.290
  160    HA   PRO  25           HA       PRO  25  -3.633   8.773 -14.329
  161   1HB   PRO  25          1HB       PRO  25  -1.972   9.219 -16.530
  162   2HB   PRO  25          2HB       PRO  25  -2.845  10.484 -15.605
  163   1HG   PRO  25          1HG       PRO  25  -0.016   9.591 -15.333
  164   2HG   PRO  25          2HG       PRO  25  -0.669  11.261 -15.363
  165   1HD   PRO  25          1HD       PRO  25   0.034  10.068 -13.056
  166   2HD   PRO  25          2HD       PRO  25  -1.450  11.065 -13.144
  167    H    ALA  26           H        ALA  26  -4.218   6.754 -14.727
  168    HA   ALA  26           HA       ALA  26  -2.398   4.587 -14.924
  169   1HB   ALA  26          1HB       ALA  26  -4.459   3.960 -14.088
  170   2HB   ALA  26          2HB       ALA  26  -5.347   4.890 -15.294
  171   3HB   ALA  26          3HB       ALA  26  -4.548   3.387 -15.754
  172    H    GLY  27           H        GLY  27  -0.981   5.193 -16.596
  173   1HA   GLY  27          1HA       GLY  27  -2.115   5.005 -19.308
  174   2HA   GLY  27          2HA       GLY  27  -0.571   5.751 -18.910
  175    H    SER  28           H        SER  28  -0.468   4.010 -20.898
  176    HA   SER  28           HA       SER  28   0.353   1.439 -19.734
  177   1HB   SER  28          1HB       SER  28   0.203   1.933 -22.691
  178   2HB   SER  28          2HB       SER  28  -0.089   0.433 -21.780
  179    HG   SER  28           HG       SER  28  -1.815   2.507 -21.162
  180    HA   PRO  29           HA       PRO  29   4.580   2.846 -19.933
  181   1HB   PRO  29          1HB       PRO  29   5.122  -0.104 -19.935
  182   2HB   PRO  29          2HB       PRO  29   5.722   1.197 -18.856
  183   1HG   PRO  29          1HG       PRO  29   3.867  -0.536 -18.066
  184   2HG   PRO  29          2HG       PRO  29   3.877   1.166 -17.499
  185   1HD   PRO  29          1HD       PRO  29   2.124  -0.225 -19.513
  186   2HD   PRO  29          2HD       PRO  29   1.741   1.122 -18.399
  187    H    GLY  30           H        GLY  30   5.305   3.577 -21.828
  188   1HA   GLY  30          1HA       GLY  30   6.448   1.895 -23.769
  189   2HA   GLY  30          2HA       GLY  30   4.848   2.377 -24.324
  190    H    LEU  31           H        LEU  31   7.437   3.010 -25.453
  191    HA   LEU  31           HA       LEU  31   7.214   5.935 -25.436
  192   1HB   LEU  31          1HB       LEU  31   9.299   4.532 -24.170
  193   2HB   LEU  31          2HB       LEU  31   9.981   5.113 -25.707
  194    HG   LEU  31           HG       LEU  31  10.400   6.652 -23.831
  195   1HD1  LEU  31          1HD1      LEU  31  10.509   8.023 -25.582
  196   2HD1  LEU  31          2HD1      LEU  31   9.050   7.353 -26.314
  197   3HD1  LEU  31          3HD1      LEU  31   8.921   8.595 -25.067
  198   1HD2  LEU  31          1HD2      LEU  31   8.754   7.693 -22.594
  199   2HD2  LEU  31          2HD2      LEU  31   7.500   7.364 -23.792
  200   3HD2  LEU  31          3HD2      LEU  31   8.109   6.061 -22.771
  201    H    LEU  32           H        LEU  32   9.996   5.191 -27.018
  202    HA   LEU  32           HA       LEU  32   8.700   5.117 -29.610
  203   1HB   LEU  32          1HB       LEU  32  10.649   6.588 -29.174
  204   2HB   LEU  32          2HB       LEU  32  11.639   5.137 -28.881
  205    HG   LEU  32           HG       LEU  32  10.892   4.488 -31.287
  206   1HD1  LEU  32          1HD1      LEU  32   9.366   6.643 -31.212
  207   2HD1  LEU  32          2HD1      LEU  32  10.846   7.416 -31.777
  208   3HD1  LEU  32          3HD1      LEU  32  10.129   6.099 -32.704
  209   1HD2  LEU  32          1HD2      LEU  32  12.886   6.692 -30.785
  210   2HD2  LEU  32          2HD2      LEU  32  13.185   4.964 -30.604
  211   3HD2  LEU  32          3HD2      LEU  32  12.845   5.636 -32.198
  212    H    ASN  33           H        ASN  33   9.953   3.015 -27.311
  213    HA   ASN  33           HA       ASN  33   9.420   0.748 -29.040
  214   1HB   ASN  33          1HB       ASN  33  12.070   1.531 -28.485
  215   2HB   ASN  33          2HB       ASN  33  11.743   0.154 -27.411
  216   1HD2  ASN  33          1HD2      ASN  33  10.679   0.950 -30.709
  217   2HD2  ASN  33          2HD2      ASN  33  11.224  -0.532 -31.427
  218    H    LEU  34           H        LEU  34   9.103  -1.240 -27.765
  219    HA   LEU  34           HA       LEU  34   7.547  -0.614 -25.461
  220   1HB   LEU  34          1HB       LEU  34   6.995  -2.425 -27.065
  221   2HB   LEU  34          2HB       LEU  34   8.404  -3.333 -26.465
  222    HG   LEU  34           HG       LEU  34   7.339  -3.377 -24.215
  223   1HD1  LEU  34          1HD1      LEU  34   5.713  -1.916 -23.810
  224   2HD1  LEU  34          2HD1      LEU  34   5.476  -1.592 -25.527
  225   3HD1  LEU  34          3HD1      LEU  34   4.663  -2.959 -24.766
  226   1HD2  LEU  34          1HD2      LEU  34   6.687  -4.857 -26.528
  227   2HD2  LEU  34          2HD2      LEU  34   6.614  -5.375 -24.843
  228   3HD2  LEU  34          3HD2      LEU  34   5.202  -4.642 -25.603
  229    H    ILE  35           H        ILE  35   8.661   0.116 -23.752
  230    HA   ILE  35           HA       ILE  35  10.687  -1.680 -22.600
  231    HB   ILE  35           HB       ILE  35  10.760   0.599 -21.048
  232   1HG1  ILE  35          1HG1      ILE  35  11.226   2.069 -23.407
  233   2HG1  ILE  35          2HG1      ILE  35   9.631   1.306 -23.612
  234   1HG2  ILE  35          1HG2      ILE  35  12.926   0.960 -22.023
  235   2HG2  ILE  35          2HG2      ILE  35  12.636  -0.774 -21.919
  236   3HG2  ILE  35          3HG2      ILE  35  12.473   0.053 -23.466
  237   1HD1  ILE  35          1HD1      ILE  35  10.213   2.666 -21.031
  238   2HD1  ILE  35          2HD1      ILE  35   9.910   3.666 -22.454
  239   3HD1  ILE  35          3HD1      ILE  35   8.692   2.508 -21.913
  240    HA   PRO  36           HA       PRO  36   6.998  -2.613 -20.172
  241   1HB   PRO  36          1HB       PRO  36   7.996  -4.895 -19.015
  242   2HB   PRO  36          2HB       PRO  36   7.352  -4.806 -20.687
  243   1HG   PRO  36          1HG       PRO  36  10.187  -4.700 -19.775
  244   2HG   PRO  36          2HG       PRO  36   9.474  -5.664 -21.109
  245   1HD   PRO  36          1HD       PRO  36  10.812  -3.336 -21.527
  246   2HD   PRO  36          2HD       PRO  36   9.385  -3.790 -22.509
  247    H    VAL  37           H        VAL  37   6.543  -1.579 -18.373
  248    HA   VAL  37           HA       VAL  37   8.500  -1.583 -16.170
  249    HB   VAL  37           HB       VAL  37   6.397   0.527 -16.706
  250   1HG1  VAL  37          1HG1      VAL  37   8.276   1.640 -15.067
  251   2HG1  VAL  37          2HG1      VAL  37   6.744   0.951 -14.535
  252   3HG1  VAL  37          3HG1      VAL  37   8.214  -0.021 -14.477
  253   1HG2  VAL  37          1HG2      VAL  37   8.401   1.984 -17.219
  254   2HG2  VAL  37          2HG2      VAL  37   9.337   0.494 -17.340
  255   3HG2  VAL  37          3HG2      VAL  37   7.983   0.776 -18.436
  256    H    ASP  38           H        ASP  38   7.825  -2.718 -14.444
  257    HA   ASP  38           HA       ASP  38   4.970  -3.417 -14.325
  258   1HB   ASP  38          1HB       ASP  38   6.960  -5.149 -14.409
  259   2HB   ASP  38          2HB       ASP  38   7.030  -4.815 -12.665
  260    H    LEU  39           H        LEU  39   3.784  -3.175 -12.548
  261    HA   LEU  39           HA       LEU  39   4.969  -2.218 -10.067
  262   1HB   LEU  39          1HB       LEU  39   4.396  -0.128 -11.020
  263   2HB   LEU  39          2HB       LEU  39   2.883  -0.772 -11.702
  264    HG   LEU  39           HG       LEU  39   2.571  -1.048  -8.951
  265   1HD1  LEU  39          1HD1      LEU  39   4.209   0.321  -8.158
  266   2HD1  LEU  39          2HD1      LEU  39   4.232   1.323  -9.610
  267   3HD1  LEU  39          3HD1      LEU  39   2.938   1.514  -8.428
  268   1HD2  LEU  39          1HD2      LEU  39   0.651  -0.356  -9.871
  269   2HD2  LEU  39          2HD2      LEU  39   1.259   1.270  -9.561
  270   3HD2  LEU  39          3HD2      LEU  39   1.474   0.535 -11.151
  271    H    SER  40           H        SER  40   3.120  -4.290 -11.730
  272    HA   SER  40           HA       SER  40   0.928  -4.512  -9.812
  273   1HB   SER  40          1HB       SER  40   0.676  -6.398 -11.931
  274   2HB   SER  40          2HB       SER  40  -0.283  -4.924 -11.650
  275    HG   SER  40           HG       SER  40   2.127  -5.189 -13.157
  276    H    ALA  41           H        ALA  41   3.662  -6.301 -11.133
  277    HA   ALA  41           HA       ALA  41   3.036  -8.567  -9.376
  278   1HB   ALA  41          1HB       ALA  41   3.562  -9.061 -11.718
  279   2HB   ALA  41          2HB       ALA  41   5.151  -8.327 -11.509
  280   3HB   ALA  41          3HB       ALA  41   4.729  -9.788 -10.615
  281    H    SER  42           H        SER  42   4.926  -5.785  -9.484
  282    HA   SER  42           HA       SER  42   7.100  -6.726  -7.854
  283   1HB   SER  42          1HB       SER  42   6.579  -3.830  -7.904
  284   2HB   SER  42          2HB       SER  42   8.045  -4.732  -8.359
  285    HG   SER  42           HG       SER  42   7.465  -4.473 -10.367
  286    H    LEU  43           H        LEU  43   6.226  -7.555  -5.960
  287    HA   LEU  43           HA       LEU  43   4.589  -5.705  -4.374
  288   1HB   LEU  43          1HB       LEU  43   4.488  -8.607  -4.827
  289   2HB   LEU  43          2HB       LEU  43   4.313  -8.121  -3.123
  290    HG   LEU  43           HG       LEU  43   2.147  -8.392  -4.318
  291   1HD1  LEU  43          1HD1      LEU  43   2.071  -5.530  -3.797
  292   2HD1  LEU  43          2HD1      LEU  43   1.248  -6.855  -2.972
  293   3HD1  LEU  43          3HD1      LEU  43   2.906  -6.439  -2.537
  294   1HD2  LEU  43          1HD2      LEU  43   1.673  -6.236  -5.794
  295   2HD2  LEU  43          2HD2      LEU  43   3.407  -6.387  -6.112
  296   3HD2  LEU  43          3HD2      LEU  43   2.316  -7.726  -6.485
  297    H    GLY  44           H        GLY  44   5.194  -5.091  -2.415
  298   1HA   GLY  44          1HA       GLY  44   7.161  -6.454  -0.843
  299   2HA   GLY  44          2HA       GLY  44   7.791  -4.983  -1.580
  300    H    CYS  45           H        CYS  45   5.744  -6.297   0.862
  301    HA   CYS  45           HA       CYS  45   5.030  -3.608   1.747
  302   1HB   CYS  45          1HB       CYS  45   3.028  -5.838   1.421
  303   2HB   CYS  45          2HB       CYS  45   2.696  -4.198   2.003
  304    H    VAL  46           H        VAL  46   3.601  -3.903   3.844
  305    HA   VAL  46           HA       VAL  46   4.843  -5.992   5.506
  306    HB   VAL  46           HB       VAL  46   4.196  -4.348   7.426
  307   1HG1  VAL  46          1HG1      VAL  46   6.493  -5.054   6.648
  308   2HG1  VAL  46          2HG1      VAL  46   6.531  -3.570   5.696
  309   3HG1  VAL  46          3HG1      VAL  46   6.395  -3.485   7.453
  310   1HG2  VAL  46          1HG2      VAL  46   4.214  -2.020   6.888
  311   2HG2  VAL  46          2HG2      VAL  46   4.556  -2.355   5.192
  312   3HG2  VAL  46          3HG2      VAL  46   2.990  -2.788   5.879
  313    H    VAL  47           H        VAL  47   3.491  -6.881   7.171
  314    HA   VAL  47           HA       VAL  47   0.945  -7.583   6.211
  315    HB   VAL  47           HB       VAL  47   1.302  -7.945   9.103
  316   1HG1  VAL  47          1HG1      VAL  47  -0.299  -9.347   8.320
  317   2HG1  VAL  47          2HG1      VAL  47   0.444  -9.491   6.730
  318   3HG1  VAL  47          3HG1      VAL  47   1.090 -10.407   8.090
  319   1HG2  VAL  47          1HG2      VAL  47   3.037  -9.865   8.335
  320   2HG2  VAL  47          2HG2      VAL  47   3.503  -8.559   7.244
  321   3HG2  VAL  47          3HG2      VAL  47   3.525  -8.302   8.990
  322    H    GLY  48           H        GLY  48  -1.058  -6.881   6.647
  323   1HA   GLY  48          1HA       GLY  48  -1.408  -4.263   7.688
  324   2HA   GLY  48          2HA       GLY  48  -2.690  -5.380   7.238
  325    H    VAL  49           H        VAL  49  -1.791  -3.589   9.675
  326    HA   VAL  49           HA       VAL  49  -1.854  -5.456  11.850
  327    HB   VAL  49           HB       VAL  49  -2.591  -2.876  12.778
  328   1HG1  VAL  49          1HG1      VAL  49   0.015  -4.387  12.845
  329   2HG1  VAL  49          2HG1      VAL  49  -0.358  -2.974  13.832
  330   3HG1  VAL  49          3HG1      VAL  49  -1.287  -4.460  14.035
  331   1HG2  VAL  49          1HG2      VAL  49  -1.809  -1.522  11.167
  332   2HG2  VAL  49          2HG2      VAL  49  -0.223  -1.943  11.811
  333   3HG2  VAL  49          3HG2      VAL  49  -0.862  -2.803  10.408
  334    H    ILE  50           H        ILE  50  -3.637  -6.591  12.140
  335    HA   ILE  50           HA       ILE  50  -6.209  -5.777  11.309
  336    HB   ILE  50           HB       ILE  50  -5.413  -7.977  13.226
  337   1HG1  ILE  50          1HG1      ILE  50  -6.411  -8.493  10.473
  338   2HG1  ILE  50          2HG1      ILE  50  -4.778  -7.800  10.617
  339   1HG2  ILE  50          1HG2      ILE  50  -7.849  -7.047  13.248
  340   2HG2  ILE  50          2HG2      ILE  50  -7.994  -7.923  11.723
  341   3HG2  ILE  50          3HG2      ILE  50  -7.574  -8.789  13.203
  342   1HD1  ILE  50          1HD1      ILE  50  -4.329  -9.706  12.268
  343   2HD1  ILE  50          2HD1      ILE  50  -5.797 -10.440  11.626
  344   3HD1  ILE  50          3HD1      ILE  50  -4.435 -10.110  10.555
  345    H    GLY  51           H        GLY  51  -7.230  -4.127  12.144
  346   1HA   GLY  51          1HA       GLY  51  -8.646  -3.433  14.025
  347   2HA   GLY  51          2HA       GLY  51  -7.304  -3.839  15.085
  348    H    SER  52           H        SER  52  -5.729  -2.612  12.601
  349    HA   SER  52           HA       SER  52  -5.864   0.128  13.662
  350   1HB   SER  52          1HB       SER  52  -3.514  -1.048  12.174
  351   2HB   SER  52          2HB       SER  52  -3.552   0.382  13.234
  352    HG   SER  52           HG       SER  52  -4.328  -1.429  14.828
  353    H    GLN  53           H        GLN  53  -5.359   1.868  12.130
  354    HA   GLN  53           HA       GLN  53  -6.683   1.366   9.579
  355   1HB   GLN  53          1HB       GLN  53  -6.438   3.609  11.407
  356   2HB   GLN  53          2HB       GLN  53  -6.032   4.080   9.740
  357   1HG   GLN  53          1HG       GLN  53  -8.197   4.274   9.327
  358   2HG   GLN  53          2HG       GLN  53  -8.350   2.516   9.540
  359   1HE2  GLN  53          1HE2      GLN  53  -7.939   2.273  12.254
  360   2HE2  GLN  53          2HE2      GLN  53  -9.232   3.044  13.103
  361    H    CYS  54           H        CYS  54  -5.784   2.080   7.590
  362    HA   CYS  54           HA       CYS  54  -2.904   2.638   7.589
  363   1HB   CYS  54          1HB       CYS  54  -4.134   0.183   6.769
  364   2HB   CYS  54          2HB       CYS  54  -3.501   1.002   5.331
  365    H    GLY  55           H        GLY  55  -2.649   4.516   6.562
  366   1HA   GLY  55          1HA       GLY  55  -4.636   5.513   4.724
  367   2HA   GLY  55          2HA       GLY  55  -3.140   6.315   5.179
  368    H    ALA  56           H        ALA  56  -4.155   3.385   3.463
  369    HA   ALA  56           HA       ALA  56  -2.598   4.063   1.136
  370   1HB   ALA  56          1HB       ALA  56  -1.381   1.738   1.445
  371   2HB   ALA  56          2HB       ALA  56  -0.719   3.215   2.145
  372   3HB   ALA  56          3HB       ALA  56  -1.635   2.095   3.153
  373    H    SER  57           H        SER  57  -2.354   1.249   0.348
  374    HA   SER  57           HA       SER  57  -5.207   0.623  -0.010
  375   1HB   SER  57          1HB       SER  57  -3.017  -0.272  -1.885
  376   2HB   SER  57          2HB       SER  57  -4.766  -0.152  -2.193
  377    HG   SER  57           HG       SER  57  -4.460   2.192  -1.876
  378    H    VAL  58           H        VAL  58  -5.909  -1.392   0.452
  379    HA   VAL  58           HA       VAL  58  -4.027  -3.124   1.870
  380    HB   VAL  58           HB       VAL  58  -7.028  -3.396   1.648
  381   1HG1  VAL  58          1HG1      VAL  58  -4.963  -5.063   2.752
  382   2HG1  VAL  58          2HG1      VAL  58  -6.063  -4.528   4.024
  383   3HG1  VAL  58          3HG1      VAL  58  -6.697  -5.372   2.608
  384   1HG2  VAL  58          1HG2      VAL  58  -7.341  -1.991   3.381
  385   2HG2  VAL  58          2HG2      VAL  58  -5.851  -2.486   4.185
  386   3HG2  VAL  58          3HG2      VAL  58  -5.794  -1.322   2.863
  387    H    LYS  59           H        LYS  59  -3.087  -4.709   0.789
  388    HA   LYS  59           HA       LYS  59  -4.544  -5.934  -1.457
  389   1HB   LYS  59          1HB       LYS  59  -1.574  -6.118  -0.921
  390   2HB   LYS  59          2HB       LYS  59  -2.444  -6.560  -2.410
  391   1HG   LYS  59          1HG       LYS  59  -2.693  -3.745  -1.488
  392   2HG   LYS  59          2HG       LYS  59  -1.107  -4.254  -2.117
  393   1HD   LYS  59          1HD       LYS  59  -1.943  -3.826  -4.154
  394   2HD   LYS  59          2HD       LYS  59  -2.887  -5.321  -3.953
  395   1HE   LYS  59          1HE       LYS  59  -4.668  -3.894  -2.833
  396   2HE   LYS  59          2HE       LYS  59  -3.758  -2.474  -3.392
  397   1HZ   LYS  59          1HZ       LYS  59  -4.253  -4.402  -5.480
  398   2HZ   LYS  59          2HZ       LYS  59  -4.524  -2.728  -5.464
  399   3HZ   LYS  59          3HZ       LYS  59  -5.684  -3.780  -4.807
  400    H    CYS  60           H        CYS  60  -4.908  -8.113  -1.470
  401    HA   CYS  60           HA       CYS  60  -4.058  -9.559   0.944
  402   1HB   CYS  60          1HB       CYS  60  -6.608  -9.462  -0.565
  403   2HB   CYS  60          2HB       CYS  60  -6.096 -11.072  -0.034
  404    H    CYS  61           H        CYS  61  -2.259 -10.626   0.370
  405    HA   CYS  61           HA       CYS  61  -2.318 -12.077  -2.193
  406   1HB   CYS  61          1HB       CYS  61   0.283 -11.230  -0.994
  407   2HB   CYS  61          2HB       CYS  61  -0.152 -11.478  -2.693
  408    H    LYS  62           H        LYS  62  -1.838 -14.154  -2.173
  409    HA   LYS  62           HA       LYS  62  -1.108 -15.400   0.349
  410   1HB   LYS  62          1HB       LYS  62  -2.698 -16.172  -1.924
  411   2HB   LYS  62          2HB       LYS  62  -1.414 -17.373  -1.644
  412   1HG   LYS  62          1HG       LYS  62  -2.304 -17.021   0.889
  413   2HG   LYS  62          2HG       LYS  62  -3.801 -16.708  -0.020
  414   1HD   LYS  62          1HD       LYS  62  -3.922 -18.855  -0.835
  415   2HD   LYS  62          2HD       LYS  62  -2.159 -19.093  -0.776
  416   1HE   LYS  62          1HE       LYS  62  -2.798 -20.427   0.976
  417   2HE   LYS  62          2HE       LYS  62  -2.560 -18.887   1.831
  418   1HZ   LYS  62          1HZ       LYS  62  -4.768 -18.641   2.182
  419   2HZ   LYS  62          2HZ       LYS  62  -4.758 -20.334   2.057
  420   3HZ   LYS  62          3HZ       LYS  62  -5.217 -19.388   0.724
  421    H    ASP  63           H        ASP  63   0.927 -15.185   0.653
  422    HA   ASP  63           HA       ASP  63   2.703 -16.947  -0.738
  423   1HB   ASP  63          1HB       ASP  63   3.060 -14.901  -2.086
  424   2HB   ASP  63          2HB       ASP  63   3.364 -13.976  -0.599
  425    H    ASP  64           H        ASP  64   4.003 -17.848   0.814
  426    HA   ASP  64           HA       ASP  64   3.280 -17.076   3.491
  427   1HB   ASP  64          1HB       ASP  64   3.534 -19.484   2.550
  428   2HB   ASP  64          2HB       ASP  64   5.262 -19.249   2.889
  429    H    VAL  65           H        VAL  65   4.505 -14.949   2.976
  430    HA   VAL  65           HA       VAL  65   7.291 -15.036   3.698
  431    HB   VAL  65           HB       VAL  65   5.786 -12.561   4.259
  432   1HG1  VAL  65          1HG1      VAL  65   8.364 -13.099   4.155
  433   2HG1  VAL  65          2HG1      VAL  65   8.133 -12.750   2.443
  434   3HG1  VAL  65          3HG1      VAL  65   7.734 -11.531   3.653
  435   1HG2  VAL  65          1HG2      VAL  65   5.741 -13.872   1.594
  436   2HG2  VAL  65          2HG2      VAL  65   4.559 -12.802   2.349
  437   3HG2  VAL  65          3HG2      VAL  65   6.032 -12.135   1.644
  438    H    THR  66           H        THR  66   7.624 -16.005   5.599
  439    HA   THR  66           HA       THR  66   6.348 -14.804   7.940
  440    HB   THR  66           HB       THR  66   7.165 -17.684   7.930
  441    HG1  THR  66           1HG      THR  66   5.550 -18.131   6.626
  442   1HG2  THR  66          1HG2      THR  66   5.148 -16.045   9.449
  443   2HG2  THR  66          2HG2      THR  66   6.675 -16.682  10.060
  444   3HG2  THR  66          3HG2      THR  66   5.365 -17.785   9.634
  445    H    ASN  67           H        ASN  67   9.092 -16.296   6.514
  446    HA   ASN  67           HA       ASN  67  10.805 -15.547   8.764
  447   1HB   ASN  67          1HB       ASN  67  10.945 -17.803   7.492
  448   2HB   ASN  67          2HB       ASN  67  11.736 -16.859   6.211
  449   1HD2  ASN  67          1HD2      ASN  67  12.656 -18.993   8.116
  450   2HD2  ASN  67          2HD2      ASN  67  14.100 -18.343   8.819
  451    H    THR  68           H        THR  68  11.945 -13.722   8.733
  452    HA   THR  68           HA       THR  68  11.621 -11.913   6.534
  453    HB   THR  68           HB       THR  68  13.482 -10.877   8.392
  454    HG1  THR  68           1HG      THR  68  12.434 -11.283  10.351
  455   1HG2  THR  68          1HG2      THR  68  10.906  -9.953   9.048
  456   2HG2  THR  68          2HG2      THR  68  10.887 -10.278   7.315
  457   3HG2  THR  68          3HG2      THR  68  12.091  -9.179   7.996
  458    H    GLY  69           H        GLY  69  12.799 -12.434   4.771
  459   1HA   GLY  69          1HA       GLY  69  15.543 -13.299   4.924
  460   2HA   GLY  69          2HA       GLY  69  14.656 -12.873   3.464
  461    H    ASN  70           H        ASN  70  13.835 -10.306   4.393
  462    HA   ASN  70           HA       ASN  70  16.387  -8.880   4.675
  463   1HB   ASN  70          1HB       ASN  70  15.246  -6.987   3.379
  464   2HB   ASN  70          2HB       ASN  70  15.771  -8.404   2.444
  465   1HD2  ASN  70          1HD2      ASN  70  14.304  -7.923   0.796
  466   2HD2  ASN  70          2HD2      ASN  70  12.607  -8.208   0.973
  467    H    SER  71           H        SER  71  15.109  -6.309   4.911
  468    HA   SER  71           HA       SER  71  14.559  -6.479   7.714
  469   1HB   SER  71          1HB       SER  71  14.122  -3.895   6.356
  470   2HB   SER  71          2HB       SER  71  15.138  -4.294   7.762
  471    HG   SER  71           HG       SER  71  16.794  -4.457   6.474
  472    H    PHE  72           H        PHE  72  12.493  -7.169   5.309
  473    HA   PHE  72           HA       PHE  72  10.218  -6.535   6.934
  474   1HB   PHE  72          1HB       PHE  72   9.048  -5.060   5.543
  475   2HB   PHE  72          2HB       PHE  72  10.703  -4.429   5.569
  476    HD1  PHE  72           1HD      PHE  72  12.220  -5.486   3.571
  477    HD2  PHE  72           2HD      PHE  72   7.988  -5.038   3.535
  478    HE1  PHE  72           1HE      PHE  72  12.240  -5.494   1.110
  479    HE2  PHE  72           2HE      PHE  72   7.995  -5.052   1.079
  480    HZ   PHE  72           HZ       PHE  72  10.130  -5.278  -0.138
  481    H    LEU  73           H        LEU  73   8.277  -6.858   4.789
  482    HA   LEU  73           HA       LEU  73   8.643  -9.746   4.405
  483   1HB   LEU  73          1HB       LEU  73   6.286  -7.986   4.873
  484   2HB   LEU  73          2HB       LEU  73   6.053  -9.447   3.884
  485    HG   LEU  73           HG       LEU  73   7.311 -10.545   5.980
  486   1HD1  LEU  73          1HD1      LEU  73   7.453  -8.275   7.070
  487   2HD1  LEU  73          2HD1      LEU  73   5.700  -8.352   7.258
  488   3HD1  LEU  73          3HD1      LEU  73   6.723  -9.552   8.045
  489   1HD2  LEU  73          1HD2      LEU  73   4.668 -10.361   4.992
  490   2HD2  LEU  73          2HD2      LEU  73   5.381 -11.636   5.979
  491   3HD2  LEU  73          3HD2      LEU  73   4.586 -10.266   6.752
  492    H    ILE  74           H        ILE  74   9.664  -9.918   2.460
  493    HA   ILE  74           HA       ILE  74   8.723  -8.453   0.155
  494    HB   ILE  74           HB       ILE  74  11.059  -8.865   0.151
  495   1HG1  ILE  74          1HG1      ILE  74  11.207 -10.675  -1.807
  496   2HG1  ILE  74          2HG1      ILE  74   9.444 -10.429  -1.803
  497   1HG2  ILE  74          1HG2      ILE  74  11.944 -11.250   0.142
  498   2HG2  ILE  74          2HG2      ILE  74  11.371 -10.608   1.681
  499   3HG2  ILE  74          3HG2      ILE  74  10.359 -11.717   0.754
  500   1HD1  ILE  74          1HD1      ILE  74  10.760  -7.888  -1.716
  501   2HD1  ILE  74          2HD1      ILE  74  11.417  -8.845  -3.044
  502   3HD1  ILE  74          3HD1      ILE  74   9.682  -8.544  -2.948
  503    H    ILE  75           H        ILE  75   7.006  -9.040  -0.979
  504    HA   ILE  75           HA       ILE  75   5.956 -11.760  -0.644
  505    HB   ILE  75           HB       ILE  75   4.347  -9.641  -1.979
  506   1HG1  ILE  75          1HG1      ILE  75   4.110  -9.725   0.968
  507   2HG1  ILE  75          2HG1      ILE  75   5.576  -8.940   0.332
  508   1HG2  ILE  75          1HG2      ILE  75   3.416 -11.867  -1.793
  509   2HG2  ILE  75          2HG2      ILE  75   3.684 -11.859  -0.049
  510   3HG2  ILE  75          3HG2      ILE  75   2.510 -10.756  -0.762
  511   1HD1  ILE  75          1HD1      ILE  75   3.229  -8.064  -1.104
  512   2HD1  ILE  75          2HD1      ILE  75   3.045  -7.804   0.631
  513   3HD1  ILE  75          3HD1      ILE  75   4.428  -7.120  -0.221
  514    H    ASN  76           H        ASN  76   5.751 -13.115  -2.287
  515    HA   ASN  76           HA       ASN  76   6.701 -12.449  -4.917
  516   1HB   ASN  76          1HB       ASN  76   6.705 -14.735  -3.648
  517   2HB   ASN  76          2HB       ASN  76   5.040 -14.869  -4.252
  518   1HD2  ASN  76          1HD2      ASN  76   6.566 -16.784  -5.026
  519   2HD2  ASN  76          2HD2      ASN  76   7.096 -16.616  -6.673
  520    H    ALA  77           H        ALA  77   5.386 -12.469  -6.842
  521    HA   ALA  77           HA       ALA  77   2.965 -11.054  -6.645
  522   1HB   ALA  77          1HB       ALA  77   4.484 -12.374  -8.821
  523   2HB   ALA  77          2HB       ALA  77   2.770 -12.067  -9.114
  524   3HB   ALA  77          3HB       ALA  77   3.849 -10.729  -8.713
  525    H    ALA  78           H        ALA  78   3.695 -14.426  -7.269
  526    HA   ALA  78           HA       ALA  78   2.281 -16.273  -7.368
  527   1HB   ALA  78          1HB       ALA  78   3.140 -15.356  -4.808
  528   2HB   ALA  78          2HB       ALA  78   1.613 -16.228  -4.641
  529   3HB   ALA  78          3HB       ALA  78   2.994 -17.005  -5.415
  530    H    ASN  79           H        ASN  79   0.447 -15.186  -4.646
  531    HA   ASN  79           HA       ASN  79  -1.965 -15.265  -6.361
  532   1HB   ASN  79          1HB       ASN  79  -1.825 -16.182  -3.488
  533   2HB   ASN  79          2HB       ASN  79  -3.121 -16.471  -4.669
  534   1HD2  ASN  79          1HD2      ASN  79  -0.058 -17.503  -3.463
  535   2HD2  ASN  79          2HD2      ASN  79   0.062 -18.948  -4.422
  536    H    CYS  80           H        CYS  80  -1.605 -12.784  -6.298
  537    HA   CYS  80           HA       CYS  80  -2.672 -11.771  -3.746
  538   1HB   CYS  80          1HB       CYS  80  -0.363 -11.001  -4.261
  539   2HB   CYS  80          2HB       CYS  80  -0.984 -10.230  -5.730
  540    H    VAL  81           H        VAL  81  -4.536 -10.768  -3.737
  541    HA   VAL  81           HA       VAL  81  -5.601  -9.595  -6.204
  542    HB   VAL  81           HB       VAL  81  -7.857 -10.625  -4.927
  543   1HG1  VAL  81          1HG1      VAL  81  -6.690 -10.572  -7.457
  544   2HG1  VAL  81          2HG1      VAL  81  -7.031 -12.271  -7.133
  545   3HG1  VAL  81          3HG1      VAL  81  -8.329 -11.080  -7.042
  546   1HG2  VAL  81          1HG2      VAL  81  -6.550 -13.135  -5.451
  547   2HG2  VAL  81          2HG2      VAL  81  -5.714 -12.260  -4.168
  548   3HG2  VAL  81          3HG2      VAL  81  -7.435 -12.613  -4.018
  549    H    ALA  82           H        ALA  82  -6.653  -7.731  -5.886
  550    HA   ALA  82           HA       ALA  82  -8.107  -6.911  -3.679
  551   1HB   ALA  82          1HB       ALA  82  -6.625  -5.360  -2.541
  552   2HB   ALA  82          2HB       ALA  82  -5.962  -6.994  -2.463
  553   3HB   ALA  82          3HB       ALA  82  -5.292  -5.822  -3.602
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  -8.728   7.327   7.632
    2   2H    ALA   1          2H        ALA   1  -9.340   5.937   8.387
    3   3H    ALA   1          3H        ALA   1 -10.247   6.717   7.185
    4    HA   ALA   1           HA       ALA   1  -8.773   6.084   5.489
    5   1HB   ALA   1          1HB       ALA   1  -6.992   4.845   7.579
    6   2HB   ALA   1          2HB       ALA   1  -6.664   5.048   5.860
    7   3HB   ALA   1          3HB       ALA   1  -6.734   6.459   6.917
    8    H    THR   2           H        THR   2  -7.895   3.523   5.186
    9    HA   THR   2           HA       THR   2 -10.320   2.009   5.657
   10    HB   THR   2           HB       THR   2  -7.954   0.698   4.441
   11    HG1  THR   2           1HG      THR   2  -9.384   2.793   3.118
   12   1HG2  THR   2          1HG2      THR   2 -10.908   0.851   3.932
   13   2HG2  THR   2          2HG2      THR   2  -9.921  -0.559   4.318
   14   3HG2  THR   2          3HG2      THR   2  -9.808   0.186   2.724
   15    H    THR   3           H        THR   3 -10.571   0.979   7.547
   16    HA   THR   3           HA       THR   3  -8.326   0.370   9.228
   17    HB   THR   3           HB       THR   3 -11.021  -0.742   9.829
   18    HG1  THR   3           1HG      THR   3 -11.164   1.714  10.676
   19   1HG2  THR   3          1HG2      THR   3  -8.634  -0.174  11.231
   20   2HG2  THR   3          2HG2      THR   3 -10.142  -0.826  11.873
   21   3HG2  THR   3          3HG2      THR   3  -9.872   0.916  11.858
   22    H    ILE   4           H        ILE   4  -7.203  -1.453   9.278
   23    HA   ILE   4           HA       ILE   4  -8.081  -3.695   7.645
   24    HB   ILE   4           HB       ILE   4  -5.505  -3.498   9.210
   25   1HG1  ILE   4          1HG1      ILE   4  -5.879  -2.780   6.296
   26   2HG1  ILE   4          2HG1      ILE   4  -5.910  -1.567   7.599
   27   1HG2  ILE   4          1HG2      ILE   4  -5.794  -5.707   8.535
   28   2HG2  ILE   4          2HG2      ILE   4  -6.514  -5.247   6.993
   29   3HG2  ILE   4          3HG2      ILE   4  -4.786  -5.020   7.265
   30   1HD1  ILE   4          1HD1      ILE   4  -3.639  -1.963   8.139
   31   2HD1  ILE   4          2HD1      ILE   4  -3.580  -3.430   7.160
   32   3HD1  ILE   4          3HD1      ILE   4  -3.710  -1.853   6.379
   33    H    GLY   5           H        GLY   5  -9.735  -4.625   8.809
   34   1HA   GLY   5          1HA       GLY   5  -9.112  -5.622  11.496
   35   2HA   GLY   5          2HA       GLY   5 -10.700  -5.623  10.734
   36    HA   PRO   6           HA       PRO   6  -8.589  -9.840  10.292
   37   1HB   PRO   6          1HB       PRO   6 -10.324 -11.302  11.830
   38   2HB   PRO   6          2HB       PRO   6  -8.879 -10.464  12.484
   39   1HG   PRO   6          1HG       PRO   6 -11.720  -9.551  12.485
   40   2HG   PRO   6          2HG       PRO   6 -10.543  -9.546  13.838
   41   1HD   PRO   6          1HD       PRO   6 -11.120  -7.330  12.367
   42   2HD   PRO   6          2HD       PRO   6  -9.474  -7.646  12.994
   43    H    ASN   7           H        ASN   7 -11.637  -8.403   9.885
   44    HA   ASN   7           HA       ASN   7 -12.638 -10.584   8.201
   45   1HB   ASN   7          1HB       ASN   7 -14.715  -8.928   8.191
   46   2HB   ASN   7          2HB       ASN   7 -14.422 -10.035   9.549
   47   1HD2  ASN   7          1HD2      ASN   7 -15.301  -8.871  11.168
   48   2HD2  ASN   7          2HD2      ASN   7 -14.742  -7.309  11.674
   49    H    THR   8           H        THR   8 -10.479  -9.161   7.205
   50    HA   THR   8           HA       THR   8 -11.498  -7.161   5.357
   51    HB   THR   8           HB       THR   8  -8.922  -7.529   4.605
   52    HG1  THR   8           1HG      THR   8  -8.668  -7.807   7.390
   53   1HG2  THR   8          1HG2      THR   8  -8.493  -5.779   6.570
   54   2HG2  THR   8          2HG2      THR   8 -10.258  -5.787   6.605
   55   3HG2  THR   8          3HG2      THR   8  -9.408  -5.360   5.119
   56    H    CYS   9           H        CYS   9  -9.759 -10.249   5.191
   57    HA   CYS   9           HA       CYS   9 -10.996 -10.778   2.597
   58   1HB   CYS   9          1HB       CYS   9  -8.233 -10.082   3.031
   59   2HB   CYS   9          2HB       CYS   9  -8.341 -11.746   2.434
   60    H    SER  10           H        SER  10 -12.131 -12.065   4.411
   61    HA   SER  10           HA       SER  10 -10.775 -14.430   5.314
   62   1HB   SER  10          1HB       SER  10 -13.615 -14.661   5.562
   63   2HB   SER  10          2HB       SER  10 -12.412 -14.365   6.840
   64    HG   SER  10           HG       SER  10 -13.929 -12.661   6.727
   65    H    ILE  11           H        ILE  11 -10.228 -14.800   2.924
   66    HA   ILE  11           HA       ILE  11 -12.304 -16.497   1.704
   67    HB   ILE  11           HB       ILE  11 -10.249 -16.070  -0.185
   68   1HG1  ILE  11          1HG1      ILE  11 -11.215 -13.468   1.041
   69   2HG1  ILE  11          2HG1      ILE  11  -9.560 -14.112   1.161
   70   1HG2  ILE  11          1HG2      ILE  11 -12.989 -14.824  -0.044
   71   2HG2  ILE  11          2HG2      ILE  11 -12.016 -15.074  -1.492
   72   3HG2  ILE  11          3HG2      ILE  11 -12.643 -16.461  -0.602
   73   1HD1  ILE  11          1HD1      ILE  11 -10.424 -12.333  -0.716
   74   2HD1  ILE  11          2HD1      ILE  11  -9.011 -13.376  -0.887
   75   3HD1  ILE  11          3HD1      ILE  11 -10.558 -13.861  -1.584
   76    H    ASP  12           H        ASP  12  -9.743 -17.236  -0.034
   77    HA   ASP  12           HA       ASP  12  -9.307 -19.718   1.355
   78   1HB   ASP  12          1HB       ASP  12  -9.439 -19.250  -1.215
   79   2HB   ASP  12          2HB       ASP  12  -7.720 -18.831  -1.040
   80    H    ASP  13           H        ASP  13  -8.430 -18.384   3.232
   81    HA   ASP  13           HA       ASP  13  -6.717 -17.688   4.566
   82   1HB   ASP  13          1HB       ASP  13  -6.270 -20.092   4.450
   83   2HB   ASP  13          2HB       ASP  13  -5.274 -19.843   2.999
   84    H    TYR  14           H        TYR  14  -6.563 -15.580   3.628
   85    HA   TYR  14           HA       TYR  14  -4.283 -15.245   1.801
   86   1HB   TYR  14          1HB       TYR  14  -6.939 -13.970   1.990
   87   2HB   TYR  14          2HB       TYR  14  -5.594 -12.854   1.701
   88    HD1  TYR  14           1HD      TYR  14  -4.072 -13.299  -0.274
   89    HD2  TYR  14           2HD      TYR  14  -7.785 -15.312   0.231
   90    HE1  TYR  14           1HE      TYR  14  -4.050 -13.908  -2.651
   91    HE2  TYR  14           2HE      TYR  14  -7.785 -15.918  -2.151
   92    HH   TYR  14           HH       TYR  14  -6.802 -15.617  -4.129
   93    H    LYS  15           H        LYS  15  -2.925 -13.386   2.106
   94    HA   LYS  15           HA       LYS  15  -2.802 -12.528   4.912
   95   1HB   LYS  15          1HB       LYS  15  -0.748 -12.992   2.797
   96   2HB   LYS  15          2HB       LYS  15  -0.443 -11.691   3.973
   97   1HG   LYS  15          1HG       LYS  15  -0.831 -13.392   5.793
   98   2HG   LYS  15          2HG       LYS  15  -0.839 -14.638   4.522
   99   1HD   LYS  15          1HD       LYS  15   1.441 -12.683   4.707
  100   2HD   LYS  15          2HD       LYS  15   1.381 -14.091   5.794
  101   1HE   LYS  15          1HE       LYS  15   1.732 -15.588   4.103
  102   2HE   LYS  15          2HE       LYS  15   0.900 -14.586   2.894
  103   1HZ   LYS  15          1HZ       LYS  15   2.969 -14.166   2.185
  104   2HZ   LYS  15          2HZ       LYS  15   3.695 -14.640   3.645
  105   3HZ   LYS  15          3HZ       LYS  15   3.048 -13.080   3.485
  106    HA   PRO  16           HA       PRO  16  -4.066  -8.561   3.310
  107   1HB   PRO  16          1HB       PRO  16  -4.048  -7.530   6.016
  108   2HB   PRO  16          2HB       PRO  16  -5.442  -8.073   5.026
  109   1HG   PRO  16          1HG       PRO  16  -4.513  -9.335   7.291
  110   2HG   PRO  16          2HG       PRO  16  -5.579 -10.077   6.054
  111   1HD   PRO  16          1HD       PRO  16  -2.606 -10.326   6.490
  112   2HD   PRO  16          2HD       PRO  16  -3.783 -11.540   5.903
  113    H    TYR  17           H        TYR  17  -2.777  -7.019   2.521
  114    HA   TYR  17           HA       TYR  17  -0.366  -6.294   4.058
  115   1HB   TYR  17          1HB       TYR  17  -0.695  -6.689   1.081
  116   2HB   TYR  17          2HB       TYR  17   0.664  -5.794   1.781
  117    HD1  TYR  17           1HD      TYR  17   2.257  -7.004   3.319
  118    HD2  TYR  17           2HD      TYR  17  -0.694  -9.054   1.040
  119    HE1  TYR  17           1HE      TYR  17   3.503  -9.110   3.601
  120    HE2  TYR  17           2HE      TYR  17   0.534 -11.161   1.325
  121    HH   TYR  17           HH       TYR  17   3.104 -11.742   1.765
  122    H    CYS  18           H        CYS  18  -0.087  -4.194   4.439
  123    HA   CYS  18           HA       CYS  18  -1.861  -2.288   3.072
  124   1HB   CYS  18          1HB       CYS  18  -2.110  -2.145   5.447
  125   2HB   CYS  18          2HB       CYS  18  -0.357  -2.158   5.696
  126    H    CYS  19           H        CYS  19  -0.936  -1.316   1.379
  127    HA   CYS  19           HA       CYS  19   1.878  -0.552   1.646
  128   1HB   CYS  19          1HB       CYS  19   0.863  -2.536  -0.101
  129   2HB   CYS  19          2HB       CYS  19   1.275  -1.135  -1.103
  130    H    GLN  20           H        GLN  20   2.226   1.508   1.271
  131    HA   GLN  20           HA       GLN  20   0.151   3.160   0.135
  132   1HB   GLN  20          1HB       GLN  20   2.760   3.596   1.487
  133   2HB   GLN  20          2HB       GLN  20   2.246   4.847   0.330
  134   1HG   GLN  20          1HG       GLN  20   1.562   5.416   2.599
  135   2HG   GLN  20          2HG       GLN  20   0.150   5.134   1.557
  136   1HE2  GLN  20          1HE2      GLN  20   2.320   3.033   3.461
  137   2HE2  GLN  20          2HE2      GLN  20   1.044   2.234   4.319
  138    H    SER  21           H        SER  21   0.005   3.816  -1.921
  139    HA   SER  21           HA       SER  21   2.319   3.652  -3.681
  140   1HB   SER  21          1HB       SER  21  -0.031   2.483  -4.975
  141   2HB   SER  21          2HB       SER  21   1.645   1.889  -4.914
  142    HG   SER  21           HG       SER  21   1.001   1.327  -2.610
  143    H    MET  22           H        MET  22   2.386   5.658  -4.464
  144    HA   MET  22           HA       MET  22  -0.115   6.994  -5.212
  145   1HB   MET  22          1HB       MET  22   2.021   8.011  -3.943
  146   2HB   MET  22          2HB       MET  22   2.504   8.336  -5.625
  147   1HG   MET  22          1HG       MET  22   0.622   9.709  -6.010
  148   2HG   MET  22          2HG       MET  22  -0.197   9.140  -4.546
  149   1HE   MET  22          1HE       MET  22   1.273   9.381  -2.126
  150   2HE   MET  22          2HE       MET  22   1.363  11.089  -1.692
  151   3HE   MET  22          3HE       MET  22  -0.137  10.419  -2.332
  152    H    SER  23           H        SER  23  -0.798   6.327  -7.130
  153    HA   SER  23           HA       SER  23   0.991   5.537  -9.228
  154   1HB   SER  23          1HB       SER  23  -1.792   5.922 -10.021
  155   2HB   SER  23          2HB       SER  23  -0.807   4.439 -10.019
  156    HG   SER  23           HG       SER  23  -1.933   3.881  -8.330
  157    H    GLY  24           H        GLY  24  -0.309   8.462  -8.210
  158   1HA   GLY  24          1HA       GLY  24   0.893   9.920 -10.328
  159   2HA   GLY  24          2HA       GLY  24  -0.857   9.882 -10.522
  160    HA   PRO  25           HA       PRO  25   0.479  12.998  -7.184
  161   1HB   PRO  25          1HB       PRO  25   1.325  15.197  -8.498
  162   2HB   PRO  25          2HB       PRO  25   2.401  13.789  -8.219
  163   1HG   PRO  25          1HG       PRO  25   0.860  14.495 -10.673
  164   2HG   PRO  25          2HG       PRO  25   2.582  14.013 -10.534
  165   1HD   PRO  25          1HD       PRO  25   0.529  12.304 -11.231
  166   2HD   PRO  25          2HD       PRO  25   2.013  11.770 -10.385
  167    H    ALA  26           H        ALA  26  -1.883  12.451  -9.117
  168    HA   ALA  26           HA       ALA  26  -3.458  14.732  -8.257
  169   1HB   ALA  26          1HB       ALA  26  -3.315  15.756 -10.235
  170   2HB   ALA  26          2HB       ALA  26  -2.598  14.343 -11.011
  171   3HB   ALA  26          3HB       ALA  26  -4.349  14.464 -10.844
  172    H    GLY  27           H        GLY  27  -3.778  12.048 -10.585
  173   1HA   GLY  27          1HA       GLY  27  -4.925  10.039  -9.433
  174   2HA   GLY  27          2HA       GLY  27  -6.205  11.214  -9.163
  175    H    SER  28           H        SER  28  -6.901   9.020 -10.506
  176    HA   SER  28           HA       SER  28  -7.359  10.074 -13.200
  177   1HB   SER  28          1HB       SER  28  -6.498   7.219 -12.628
  178   2HB   SER  28          2HB       SER  28  -6.963   7.868 -14.219
  179    HG   SER  28           HG       SER  28  -4.788   8.827 -12.632
  180    HA   PRO  29           HA       PRO  29 -11.459   8.886 -11.830
  181   1HB   PRO  29          1HB       PRO  29 -12.423   9.950 -14.387
  182   2HB   PRO  29          2HB       PRO  29 -12.629  10.585 -12.722
  183   1HG   PRO  29          1HG       PRO  29 -11.110  11.779 -14.625
  184   2HG   PRO  29          2HG       PRO  29 -10.860  11.989 -12.861
  185   1HD   PRO  29          1HD       PRO  29  -9.382  10.287 -14.869
  186   2HD   PRO  29          2HD       PRO  29  -8.762  11.176 -13.444
  187    H    GLY  30           H        GLY  30 -13.294   7.639 -12.773
  188   1HA   GLY  30          1HA       GLY  30 -12.266   5.320 -14.142
  189   2HA   GLY  30          2HA       GLY  30 -13.908   5.548 -13.553
  190    H    LEU  31           H        LEU  31 -11.685   6.579 -16.115
  191    HA   LEU  31           HA       LEU  31 -13.948   7.136 -17.875
  192   1HB   LEU  31          1HB       LEU  31 -11.648   8.476 -17.581
  193   2HB   LEU  31          2HB       LEU  31 -11.140   7.330 -18.845
  194    HG   LEU  31           HG       LEU  31 -13.598   8.371 -19.715
  195   1HD1  LEU  31          1HD1      LEU  31 -13.152  10.126 -17.930
  196   2HD1  LEU  31          2HD1      LEU  31 -11.804  10.645 -18.939
  197   3HD1  LEU  31          3HD1      LEU  31 -13.448  10.707 -19.572
  198   1HD2  LEU  31          1HD2      LEU  31 -11.493   9.738 -20.988
  199   2HD2  LEU  31          2HD2      LEU  31 -10.871   8.147 -20.550
  200   3HD2  LEU  31          3HD2      LEU  31 -12.328   8.285 -21.536
  201    H    LEU  32           H        LEU  32 -11.061   5.110 -17.713
  202    HA   LEU  32           HA       LEU  32 -12.427   3.134 -19.397
  203   1HB   LEU  32          1HB       LEU  32  -9.623   4.200 -19.730
  204   2HB   LEU  32          2HB       LEU  32 -10.113   2.611 -20.364
  205    HG   LEU  32           HG       LEU  32 -11.820   4.896 -21.136
  206   1HD1  LEU  32          1HD1      LEU  32 -10.212   5.515 -22.950
  207   2HD1  LEU  32          2HD1      LEU  32  -9.730   6.018 -21.332
  208   3HD1  LEU  32          3HD1      LEU  32  -8.975   4.608 -22.077
  209   1HD2  LEU  32          1HD2      LEU  32 -11.960   3.715 -23.191
  210   2HD2  LEU  32          2HD2      LEU  32 -10.561   2.721 -22.792
  211   3HD2  LEU  32          3HD2      LEU  32 -12.073   2.518 -21.905
  212    H    ASN  33           H        ASN  33 -12.241   1.087 -18.637
  213    HA   ASN  33           HA       ASN  33 -11.072   0.796 -16.030
  214   1HB   ASN  33          1HB       ASN  33 -12.011  -1.480 -16.056
  215   2HB   ASN  33          2HB       ASN  33 -13.226  -0.256 -16.485
  216   1HD2  ASN  33          1HD2      ASN  33 -14.071  -0.214 -18.532
  217   2HD2  ASN  33          2HD2      ASN  33 -13.808  -1.479 -19.692
  218    H    LEU  34           H        LEU  34  -9.319  -0.288 -15.438
  219    HA   LEU  34           HA       LEU  34  -7.796  -1.818 -17.395
  220   1HB   LEU  34          1HB       LEU  34  -7.057   0.614 -17.444
  221   2HB   LEU  34          2HB       LEU  34  -6.504   0.380 -15.769
  222    HG   LEU  34           HG       LEU  34  -5.400  -1.697 -17.386
  223   1HD1  LEU  34          1HD1      LEU  34  -4.165   0.690 -18.460
  224   2HD1  LEU  34          2HD1      LEU  34  -4.731  -0.759 -19.292
  225   3HD1  LEU  34          3HD1      LEU  34  -5.855   0.554 -18.946
  226   1HD2  LEU  34          1HD2      LEU  34  -4.348   0.645 -15.831
  227   2HD2  LEU  34          2HD2      LEU  34  -4.308  -1.069 -15.417
  228   3HD2  LEU  34          3HD2      LEU  34  -3.270  -0.448 -16.701
  229    H    ILE  35           H        ILE  35  -6.684  -3.483 -16.469
  230    HA   ILE  35           HA       ILE  35  -7.134  -3.840 -13.585
  231    HB   ILE  35           HB       ILE  35  -6.051  -6.142 -15.034
  232   1HG1  ILE  35          1HG1      ILE  35  -8.870  -6.017 -15.681
  233   2HG1  ILE  35          2HG1      ILE  35  -7.994  -4.655 -16.421
  234   1HG2  ILE  35          1HG2      ILE  35  -7.565  -5.607 -12.751
  235   2HG2  ILE  35          2HG2      ILE  35  -8.630  -6.514 -13.823
  236   3HG2  ILE  35          3HG2      ILE  35  -7.066  -7.185 -13.361
  237   1HD1  ILE  35          1HD1      ILE  35  -8.244  -7.013 -17.628
  238   2HD1  ILE  35          2HD1      ILE  35  -6.804  -6.009 -17.817
  239   3HD1  ILE  35          3HD1      ILE  35  -6.794  -7.361 -16.683
  240    HA   PRO  36           HA       PRO  36  -2.774  -2.905 -13.238
  241   1HB   PRO  36          1HB       PRO  36  -3.128  -3.504 -10.364
  242   2HB   PRO  36          2HB       PRO  36  -2.719  -1.964 -11.187
  243   1HG   PRO  36          1HG       PRO  36  -5.092  -2.423  -9.988
  244   2HG   PRO  36          2HG       PRO  36  -4.880  -1.282 -11.356
  245   1HD   PRO  36          1HD       PRO  36  -6.006  -4.079 -11.284
  246   2HD   PRO  36          2HD       PRO  36  -6.486  -2.677 -12.288
  247    H    VAL  37           H        VAL  37  -1.328  -4.376 -13.797
  248    HA   VAL  37           HA       VAL  37  -1.276  -6.925 -12.333
  249    HB   VAL  37           HB       VAL  37  -0.047  -7.657 -14.592
  250   1HG1  VAL  37          1HG1      VAL  37  -3.051  -7.629 -14.465
  251   2HG1  VAL  37          2HG1      VAL  37  -1.996  -8.853 -15.171
  252   3HG1  VAL  37          3HG1      VAL  37  -2.058  -8.647 -13.422
  253   1HG2  VAL  37          1HG2      VAL  37  -0.761  -6.647 -16.532
  254   2HG2  VAL  37          2HG2      VAL  37  -2.222  -6.000 -15.789
  255   3HG2  VAL  37          3HG2      VAL  37  -0.660  -5.252 -15.460
  256    H    ASP  38           H        ASP  38   0.656  -7.567 -11.552
  257    HA   ASP  38           HA       ASP  38   2.995  -5.940 -12.271
  258   1HB   ASP  38          1HB       ASP  38   1.898  -5.728  -9.856
  259   2HB   ASP  38          2HB       ASP  38   2.849  -7.200  -9.563
  260    H    LEU  39           H        LEU  39   3.361  -7.588 -13.871
  261    HA   LEU  39           HA       LEU  39   3.991 -10.264 -12.980
  262   1HB   LEU  39          1HB       LEU  39   4.228  -8.827 -15.623
  263   2HB   LEU  39          2HB       LEU  39   4.837 -10.482 -15.381
  264    HG   LEU  39           HG       LEU  39   2.036 -10.049 -14.566
  265   1HD1  LEU  39          1HD1      LEU  39   2.770  -8.843 -16.930
  266   2HD1  LEU  39          2HD1      LEU  39   2.197 -10.430 -17.444
  267   3HD1  LEU  39          3HD1      LEU  39   1.145  -9.376 -16.498
  268   1HD2  LEU  39          1HD2      LEU  39   3.172 -12.101 -16.438
  269   2HD2  LEU  39          2HD2      LEU  39   3.373 -12.223 -14.690
  270   3HD2  LEU  39          3HD2      LEU  39   1.755 -12.222 -15.394
  271    H    SER  40           H        SER  40   5.489  -7.408 -12.668
  272    HA   SER  40           HA       SER  40   8.209  -8.312 -13.091
  273   1HB   SER  40          1HB       SER  40   7.906  -5.845 -11.568
  274   2HB   SER  40          2HB       SER  40   8.682  -6.110 -13.148
  275    HG   SER  40           HG       SER  40   6.581  -6.024 -14.099
  276    H    ALA  41           H        ALA  41   5.867  -8.658 -10.754
  277    HA   ALA  41           HA       ALA  41   5.820  -9.387  -8.613
  278   1HB   ALA  41          1HB       ALA  41   7.431 -10.936  -7.925
  279   2HB   ALA  41          2HB       ALA  41   7.454 -11.045  -9.687
  280   3HB   ALA  41          3HB       ALA  41   8.714 -10.144  -8.842
  281    H    SER  42           H        SER  42   6.170  -6.694  -8.852
  282    HA   SER  42           HA       SER  42   8.235  -5.995  -6.886
  283   1HB   SER  42          1HB       SER  42   6.667  -3.781  -7.979
  284   2HB   SER  42          2HB       SER  42   8.430  -4.025  -7.957
  285    HG   SER  42           HG       SER  42   6.590  -5.229  -9.793
  286    H    LEU  43           H        LEU  43   7.245  -6.715  -5.013
  287    HA   LEU  43           HA       LEU  43   5.196  -4.916  -3.996
  288   1HB   LEU  43          1HB       LEU  43   4.725  -7.689  -4.672
  289   2HB   LEU  43          2HB       LEU  43   4.515  -7.426  -2.924
  290    HG   LEU  43           HG       LEU  43   2.394  -6.959  -3.520
  291   1HD1  LEU  43          1HD1      LEU  43   3.803  -4.408  -4.254
  292   2HD1  LEU  43          2HD1      LEU  43   2.047  -4.547  -4.181
  293   3HD1  LEU  43          3HD1      LEU  43   3.014  -4.820  -2.732
  294   1HD2  LEU  43          1HD2      LEU  43   2.174  -5.778  -5.978
  295   2HD2  LEU  43          2HD2      LEU  43   3.559  -6.848  -6.193
  296   3HD2  LEU  43          3HD2      LEU  43   2.012  -7.505  -5.654
  297    H    GLY  44           H        GLY  44   6.492  -4.011  -2.495
  298   1HA   GLY  44          1HA       GLY  44   7.658  -5.845  -0.491
  299   2HA   GLY  44          2HA       GLY  44   8.346  -4.275  -0.893
  300    H    CYS  45           H        CYS  45   5.975  -5.966   0.939
  301    HA   CYS  45           HA       CYS  45   5.049  -3.420   2.066
  302   1HB   CYS  45          1HB       CYS  45   3.259  -5.784   1.476
  303   2HB   CYS  45          2HB       CYS  45   2.764  -4.203   2.103
  304    H    VAL  46           H        VAL  46   3.483  -4.101   4.023
  305    HA   VAL  46           HA       VAL  46   4.808  -6.228   5.568
  306    HB   VAL  46           HB       VAL  46   4.097  -4.739   7.599
  307   1HG1  VAL  46          1HG1      VAL  46   6.415  -5.372   6.930
  308   2HG1  VAL  46          2HG1      VAL  46   6.483  -3.903   5.955
  309   3HG1  VAL  46          3HG1      VAL  46   6.296  -3.792   7.704
  310   1HG2  VAL  46          1HG2      VAL  46   3.397  -2.661   7.214
  311   2HG2  VAL  46          2HG2      VAL  46   4.795  -2.327   6.192
  312   3HG2  VAL  46          3HG2      VAL  46   3.345  -3.050   5.494
  313    H    VAL  47           H        VAL  47   3.395  -7.111   7.292
  314    HA   VAL  47           HA       VAL  47   0.869  -7.788   6.197
  315    HB   VAL  47           HB       VAL  47   1.847  -8.232   9.026
  316   1HG1  VAL  47          1HG1      VAL  47  -0.637  -8.850   7.691
  317   2HG1  VAL  47          2HG1      VAL  47   0.172 -10.320   8.239
  318   3HG1  VAL  47          3HG1      VAL  47  -0.199  -9.036   9.387
  319   1HG2  VAL  47          1HG2      VAL  47   2.743  -9.342   6.551
  320   2HG2  VAL  47          2HG2      VAL  47   3.295  -9.695   8.189
  321   3HG2  VAL  47          3HG2      VAL  47   1.951 -10.604   7.498
  322    H    GLY  48           H        GLY  48  -1.104  -6.969   6.529
  323   1HA   GLY  48          1HA       GLY  48  -1.424  -4.394   7.643
  324   2HA   GLY  48          2HA       GLY  48  -2.725  -5.476   7.173
  325    H    VAL  49           H        VAL  49  -1.033  -4.082   9.755
  326    HA   VAL  49           HA       VAL  49  -1.528  -5.928  11.814
  327    HB   VAL  49           HB       VAL  49  -1.633  -3.526  13.117
  328   1HG1  VAL  49          1HG1      VAL  49   0.448  -4.079  13.885
  329   2HG1  VAL  49          2HG1      VAL  49  -0.057  -5.623  13.193
  330   3HG1  VAL  49          3HG1      VAL  49   1.028  -4.562  12.292
  331   1HG2  VAL  49          1HG2      VAL  49  -1.253  -1.929  11.564
  332   2HG2  VAL  49          2HG2      VAL  49   0.427  -2.424  11.775
  333   3HG2  VAL  49          3HG2      VAL  49  -0.516  -3.059  10.427
  334    H    ILE  50           H        ILE  50  -3.434  -6.679  12.357
  335    HA   ILE  50           HA       ILE  50  -5.882  -5.558  11.636
  336    HB   ILE  50           HB       ILE  50  -6.782  -7.126  13.514
  337   1HG1  ILE  50          1HG1      ILE  50  -3.953  -8.168  13.202
  338   2HG1  ILE  50          2HG1      ILE  50  -4.556  -7.310  14.640
  339   1HG2  ILE  50          1HG2      ILE  50  -5.264  -8.349  11.223
  340   2HG2  ILE  50          2HG2      ILE  50  -6.733  -8.950  11.991
  341   3HG2  ILE  50          3HG2      ILE  50  -6.782  -7.473  11.026
  342   1HD1  ILE  50          1HD1      ILE  50  -5.271  -9.238  15.467
  343   2HD1  ILE  50          2HD1      ILE  50  -6.347  -9.438  14.085
  344   3HD1  ILE  50          3HD1      ILE  50  -4.707 -10.083  14.024
  345    H    GLY  51           H        GLY  51  -6.936  -3.882  12.374
  346   1HA   GLY  51          1HA       GLY  51  -8.023  -2.843  14.318
  347   2HA   GLY  51          2HA       GLY  51  -6.506  -3.067  15.185
  348    H    SER  52           H        SER  52  -4.995  -2.334  12.720
  349    HA   SER  52           HA       SER  52  -5.125   0.551  13.149
  350   1HB   SER  52          1HB       SER  52  -3.018  -1.027  11.650
  351   2HB   SER  52          2HB       SER  52  -2.897   0.646  12.245
  352    HG   SER  52           HG       SER  52  -3.003  -1.764  13.770
  353    H    GLN  53           H        GLN  53  -4.709   1.945  11.202
  354    HA   GLN  53           HA       GLN  53  -6.452   0.989   9.036
  355   1HB   GLN  53          1HB       GLN  53  -5.832   3.768  10.041
  356   2HB   GLN  53          2HB       GLN  53  -6.738   3.447   8.543
  357   1HG   GLN  53          1HG       GLN  53  -8.500   2.374   9.753
  358   2HG   GLN  53          2HG       GLN  53  -7.560   2.407  11.261
  359   1HE2  GLN  53          1HE2      GLN  53  -8.238   3.876  12.622
  360   2HE2  GLN  53          2HE2      GLN  53  -8.912   5.422  12.228
  361    H    CYS  54           H        CYS  54  -5.944   1.337   6.895
  362    HA   CYS  54           HA       CYS  54  -3.132   2.002   6.327
  363   1HB   CYS  54          1HB       CYS  54  -4.081  -0.293   5.681
  364   2HB   CYS  54          2HB       CYS  54  -5.049   0.571   4.475
  365    H    GLY  55           H        GLY  55  -2.677   3.669   4.946
  366   1HA   GLY  55          1HA       GLY  55  -4.899   5.490   4.507
  367   2HA   GLY  55          2HA       GLY  55  -3.193   5.877   4.372
  368    H    ALA  56           H        ALA  56  -3.011   3.308   2.636
  369    HA   ALA  56           HA       ALA  56  -4.045   4.583   0.194
  370   1HB   ALA  56          1HB       ALA  56  -1.549   3.037  -0.050
  371   2HB   ALA  56          2HB       ALA  56  -2.051   4.527  -0.847
  372   3HB   ALA  56          3HB       ALA  56  -1.438   4.576   0.804
  373    H    SER  57           H        SER  57  -2.254   1.962  -0.683
  374    HA   SER  57           HA       SER  57  -4.706   0.565  -1.342
  375   1HB   SER  57          1HB       SER  57  -2.199  -0.560  -2.369
  376   2HB   SER  57          2HB       SER  57  -3.662  -0.043  -3.241
  377    HG   SER  57           HG       SER  57  -1.321   1.236  -3.019
  378    H    VAL  58           H        VAL  58  -5.288  -0.553   0.486
  379    HA   VAL  58           HA       VAL  58  -3.463  -2.600   1.475
  380    HB   VAL  58           HB       VAL  58  -4.692  -1.560   3.233
  381   1HG1  VAL  58          1HG1      VAL  58  -6.567  -0.502   2.649
  382   2HG1  VAL  58          2HG1      VAL  58  -6.884  -1.605   1.310
  383   3HG1  VAL  58          3HG1      VAL  58  -7.371  -2.045   2.948
  384   1HG2  VAL  58          1HG2      VAL  58  -6.479  -3.821   3.282
  385   2HG2  VAL  58          2HG2      VAL  58  -4.872  -4.300   2.734
  386   3HG2  VAL  58          3HG2      VAL  58  -5.069  -3.480   4.284
  387    H    LYS  59           H        LYS  59  -3.506  -4.642   0.731
  388    HA   LYS  59           HA       LYS  59  -5.869  -5.592  -0.689
  389   1HB   LYS  59          1HB       LYS  59  -4.866  -6.000  -2.724
  390   2HB   LYS  59          2HB       LYS  59  -4.110  -4.460  -2.252
  391   1HG   LYS  59          1HG       LYS  59  -2.084  -5.536  -1.643
  392   2HG   LYS  59          2HG       LYS  59  -2.830  -7.149  -1.736
  393   1HD   LYS  59          1HD       LYS  59  -1.744  -7.094  -3.758
  394   2HD   LYS  59          2HD       LYS  59  -3.314  -6.403  -4.231
  395   1HE   LYS  59          1HE       LYS  59  -2.256  -4.120  -3.702
  396   2HE   LYS  59          2HE       LYS  59  -0.701  -4.981  -3.714
  397   1HZ   LYS  59          1HZ       LYS  59  -1.655  -3.880  -5.874
  398   2HZ   LYS  59          2HZ       LYS  59  -2.512  -5.338  -6.001
  399   3HZ   LYS  59          3HZ       LYS  59  -0.821  -5.356  -5.952
  400    H    CYS  60           H        CYS  60  -5.471  -7.955  -1.403
  401    HA   CYS  60           HA       CYS  60  -4.261  -9.318   0.909
  402   1HB   CYS  60          1HB       CYS  60  -6.343 -10.654  -0.757
  403   2HB   CYS  60          2HB       CYS  60  -6.022 -10.793   0.979
  404    H    CYS  61           H        CYS  61  -2.579 -10.588   0.485
  405    HA   CYS  61           HA       CYS  61  -2.426 -11.869  -2.154
  406   1HB   CYS  61          1HB       CYS  61  -0.241 -10.319  -0.752
  407   2HB   CYS  61          2HB       CYS  61   0.094 -11.491  -2.037
  408    H    LYS  62           H        LYS  62  -1.958 -13.961  -2.074
  409    HA   LYS  62           HA       LYS  62  -1.047 -15.087   0.479
  410   1HB   LYS  62          1HB       LYS  62  -3.197 -15.941  -0.493
  411   2HB   LYS  62          2HB       LYS  62  -2.259 -16.553  -1.877
  412   1HG   LYS  62          1HG       LYS  62  -2.825 -18.247  -0.091
  413   2HG   LYS  62          2HG       LYS  62  -1.102 -18.121  -0.521
  414   1HD   LYS  62          1HD       LYS  62  -0.870 -16.522   1.444
  415   2HD   LYS  62          2HD       LYS  62  -2.507 -17.030   1.927
  416   1HE   LYS  62          1HE       LYS  62  -0.168 -18.914   1.505
  417   2HE   LYS  62          2HE       LYS  62  -0.676 -18.272   3.082
  418   1HZ   LYS  62          1HZ       LYS  62  -2.513 -19.585   3.129
  419   2HZ   LYS  62          2HZ       LYS  62  -1.531 -20.579   2.170
  420   3HZ   LYS  62          3HZ       LYS  62  -2.713 -19.607   1.444
  421    H    ASP  63           H        ASP  63   0.935 -15.713   0.629
  422    HA   ASP  63           HA       ASP  63   2.408 -16.968  -1.455
  423   1HB   ASP  63          1HB       ASP  63   3.893 -15.324  -2.104
  424   2HB   ASP  63          2HB       ASP  63   2.411 -14.366  -1.892
  425    H    ASP  64           H        ASP  64   4.681 -17.427  -0.708
  426    HA   ASP  64           HA       ASP  64   4.738 -17.593   2.229
  427   1HB   ASP  64          1HB       ASP  64   4.519 -19.800   1.197
  428   2HB   ASP  64          2HB       ASP  64   5.951 -19.484   0.192
  429    H    VAL  65           H        VAL  65   5.956 -15.892   2.811
  430    HA   VAL  65           HA       VAL  65   8.536 -15.453   1.511
  431    HB   VAL  65           HB       VAL  65   7.928 -13.927   3.955
  432   1HG1  VAL  65          1HG1      VAL  65   9.855 -13.469   2.530
  433   2HG1  VAL  65          2HG1      VAL  65   8.777 -13.118   1.178
  434   3HG1  VAL  65          3HG1      VAL  65   8.772 -12.080   2.604
  435   1HG2  VAL  65          1HG2      VAL  65   6.505 -12.665   1.792
  436   2HG2  VAL  65          2HG2      VAL  65   5.819 -14.249   2.140
  437   3HG2  VAL  65          3HG2      VAL  65   5.951 -13.046   3.422
  438    H    THR  66           H        THR  66  10.501 -15.657   2.659
  439    HA   THR  66           HA       THR  66  10.449 -17.785   4.575
  440    HB   THR  66           HB       THR  66  13.049 -16.648   4.397
  441    HG1  THR  66           1HG      THR  66  13.197 -16.007   2.379
  442   1HG2  THR  66          1HG2      THR  66  12.915 -18.949   4.642
  443   2HG2  THR  66          2HG2      THR  66  13.313 -18.790   2.932
  444   3HG2  THR  66          3HG2      THR  66  11.647 -19.103   3.427
  445    H    ASN  67           H        ASN  67  10.532 -17.646   6.714
  446    HA   ASN  67           HA       ASN  67  10.401 -15.061   7.970
  447   1HB   ASN  67          1HB       ASN  67   9.493 -17.639   8.578
  448   2HB   ASN  67          2HB       ASN  67  10.721 -17.287   9.814
  449   1HD2  ASN  67          1HD2      ASN  67  10.498 -14.870  10.589
  450   2HD2  ASN  67          2HD2      ASN  67   8.890 -14.421  11.065
  451    H    THR  68           H        THR  68  12.868 -17.105   7.077
  452    HA   THR  68           HA       THR  68  14.744 -15.615   8.773
  453    HB   THR  68           HB       THR  68  15.680 -18.243   7.822
  454    HG1  THR  68           1HG      THR  68  13.698 -18.077   9.871
  455   1HG2  THR  68          1HG2      THR  68  16.308 -18.293  10.347
  456   2HG2  THR  68          2HG2      THR  68  15.855 -16.589  10.313
  457   3HG2  THR  68          3HG2      THR  68  17.149 -17.179   9.270
  458    H    GLY  69           H        GLY  69  15.963 -14.338   7.557
  459   1HA   GLY  69          1HA       GLY  69  17.649 -14.602   5.623
  460   2HA   GLY  69          2HA       GLY  69  16.202 -14.942   4.687
  461    H    ASN  70           H        ASN  70  14.412 -13.151   5.581
  462    HA   ASN  70           HA       ASN  70  15.687 -10.537   5.119
  463   1HB   ASN  70          1HB       ASN  70  13.463  -9.916   3.987
  464   2HB   ASN  70          2HB       ASN  70  14.579 -10.960   3.079
  465   1HD2  ASN  70          1HD2      ASN  70  11.455 -10.655   4.428
  466   2HD2  ASN  70          2HD2      ASN  70  10.886 -12.245   4.043
  467    H    SER  71           H        SER  71  14.704  -8.741   6.145
  468    HA   SER  71           HA       SER  71  13.532  -9.418   8.690
  469   1HB   SER  71          1HB       SER  71  13.727  -6.565   7.956
  470   2HB   SER  71          2HB       SER  71  14.339  -7.419   9.393
  471    HG   SER  71           HG       SER  71  16.081  -8.177   8.134
  472    H    PHE  72           H        PHE  72  12.564  -7.544   5.826
  473    HA   PHE  72           HA       PHE  72   9.818  -7.570   6.879
  474   1HB   PHE  72          1HB       PHE  72   9.467  -5.498   6.080
  475   2HB   PHE  72          2HB       PHE  72  11.236  -5.400   6.078
  476    HD1  PHE  72           1HD      PHE  72  12.483  -5.648   3.952
  477    HD2  PHE  72           2HD      PHE  72   8.232  -5.518   4.057
  478    HE1  PHE  72           1HE      PHE  72  12.444  -5.130   1.547
  479    HE2  PHE  72           2HE      PHE  72   8.180  -5.010   1.654
  480    HZ   PHE  72           HZ       PHE  72  10.290  -4.813   0.395
  481    H    LEU  73           H        LEU  73   8.084  -7.855   5.224
  482    HA   LEU  73           HA       LEU  73   8.833 -10.259   3.770
  483   1HB   LEU  73          1HB       LEU  73   5.996  -9.435   3.922
  484   2HB   LEU  73          2HB       LEU  73   6.739 -11.041   4.115
  485    HG   LEU  73           HG       LEU  73   7.611  -9.677   6.349
  486   1HD1  LEU  73          1HD1      LEU  73   4.748  -9.137   6.536
  487   2HD1  LEU  73          2HD1      LEU  73   6.122  -8.178   7.082
  488   3HD1  LEU  73          3HD1      LEU  73   5.596  -8.089   5.401
  489   1HD2  LEU  73          1HD2      LEU  73   5.508 -11.681   5.745
  490   2HD2  LEU  73          2HD2      LEU  73   6.963 -11.829   6.730
  491   3HD2  LEU  73          3HD2      LEU  73   5.550 -10.987   7.366
  492    H    ILE  74           H        ILE  74   9.709  -9.489   1.849
  493    HA   ILE  74           HA       ILE  74   8.208  -7.968  -0.022
  494    HB   ILE  74           HB       ILE  74  10.336 -10.063  -0.549
  495   1HG1  ILE  74          1HG1      ILE  74  11.350  -7.497  -1.033
  496   2HG1  ILE  74          2HG1      ILE  74  10.459  -7.367   0.502
  497   1HG2  ILE  74          1HG2      ILE  74  10.506  -9.289  -2.740
  498   2HG2  ILE  74          2HG2      ILE  74   8.764  -9.352  -2.453
  499   3HG2  ILE  74          3HG2      ILE  74   9.615  -7.807  -2.385
  500   1HD1  ILE  74          1HD1      ILE  74  11.768  -9.173   1.442
  501   2HD1  ILE  74          2HD1      ILE  74  12.605  -9.411  -0.090
  502   3HD1  ILE  74          3HD1      ILE  74  12.840  -7.920   0.821
  503    H    ILE  75           H        ILE  75   6.637  -8.636  -1.446
  504    HA   ILE  75           HA       ILE  75   5.464 -11.226  -0.783
  505    HB   ILE  75           HB       ILE  75   4.234  -9.169  -2.598
  506   1HG1  ILE  75          1HG1      ILE  75   3.788  -9.306   0.386
  507   2HG1  ILE  75          2HG1      ILE  75   4.991  -8.218  -0.348
  508   1HG2  ILE  75          1HG2      ILE  75   2.360 -10.471  -0.937
  509   2HG2  ILE  75          2HG2      ILE  75   2.576 -10.643  -2.677
  510   3HG2  ILE  75          3HG2      ILE  75   3.441 -11.711  -1.570
  511   1HD1  ILE  75          1HD1      ILE  75   3.067  -7.312  -1.749
  512   2HD1  ILE  75          2HD1      ILE  75   2.000  -8.171  -0.640
  513   3HD1  ILE  75          3HD1      ILE  75   3.067  -6.906  -0.033
  514    H    ASN  76           H        ASN  76   5.455 -12.901  -2.072
  515    HA   ASN  76           HA       ASN  76   7.099 -13.004  -4.370
  516   1HB   ASN  76          1HB       ASN  76   5.120 -14.906  -3.126
  517   2HB   ASN  76          2HB       ASN  76   5.920 -15.296  -4.664
  518   1HD2  ASN  76          1HD2      ASN  76   6.434 -14.640  -1.241
  519   2HD2  ASN  76          2HD2      ASN  76   7.991 -15.399  -1.153
  520    H    ALA  77           H        ALA  77   3.886 -12.039  -3.952
  521    HA   ALA  77           HA       ALA  77   2.206 -11.412  -5.335
  522   1HB   ALA  77          1HB       ALA  77   4.630 -10.620  -6.574
  523   2HB   ALA  77          2HB       ALA  77   3.534 -11.174  -7.841
  524   3HB   ALA  77          3HB       ALA  77   3.030  -9.898  -6.733
  525    H    ALA  78           H        ALA  78   2.633 -14.206  -5.017
  526    HA   ALA  78           HA       ALA  78   2.224 -15.464  -7.573
  527   1HB   ALA  78          1HB       ALA  78   2.793 -16.311  -4.898
  528   2HB   ALA  78          2HB       ALA  78   1.419 -17.219  -5.529
  529   3HB   ALA  78          3HB       ALA  78   2.948 -17.209  -6.409
  530    H    ASN  79           H        ASN  79   0.206 -15.119  -4.656
  531    HA   ASN  79           HA       ASN  79  -2.165 -15.119  -6.413
  532   1HB   ASN  79          1HB       ASN  79  -2.181 -15.821  -3.472
  533   2HB   ASN  79          2HB       ASN  79  -3.451 -16.118  -4.679
  534   1HD2  ASN  79          1HD2      ASN  79  -0.427 -17.204  -3.357
  535   2HD2  ASN  79          2HD2      ASN  79  -0.418 -18.755  -4.135
  536    H    CYS  80           H        CYS  80  -2.450 -12.913  -6.684
  537    HA   CYS  80           HA       CYS  80  -2.785 -11.390  -4.188
  538   1HB   CYS  80          1HB       CYS  80  -1.369 -10.648  -6.722
  539   2HB   CYS  80          2HB       CYS  80  -2.145  -9.381  -5.757
  540    H    VAL  81           H        VAL  81  -4.671 -10.392  -3.924
  541    HA   VAL  81           HA       VAL  81  -6.381  -9.946  -6.284
  542    HB   VAL  81           HB       VAL  81  -8.324 -10.368  -4.578
  543   1HG1  VAL  81          1HG1      VAL  81  -8.386 -11.747  -6.403
  544   2HG1  VAL  81          2HG1      VAL  81  -6.742 -12.332  -6.157
  545   3HG1  VAL  81          3HG1      VAL  81  -8.052 -12.926  -5.137
  546   1HG2  VAL  81          1HG2      VAL  81  -6.132 -11.025  -2.970
  547   2HG2  VAL  81          2HG2      VAL  81  -7.840 -11.280  -2.614
  548   3HG2  VAL  81          3HG2      VAL  81  -6.901 -12.559  -3.386
  549    H    ALA  82           H        ALA  82  -7.875  -8.198  -6.079
  550    HA   ALA  82           HA       ALA  82  -7.581  -6.430  -3.788
  551   1HB   ALA  82          1HB       ALA  82  -7.342  -4.630  -5.866
  552   2HB   ALA  82          2HB       ALA  82  -6.038  -5.163  -4.799
  553   3HB   ALA  82          3HB       ALA  82  -6.285  -5.960  -6.353
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -10.427   7.054   6.604
    2   2H    ALA   1          2H        ALA   1  -9.261   7.808   7.576
    3   3H    ALA   1          3H        ALA   1 -10.094   6.446   8.150
    4    HA   ALA   1           HA       ALA   1  -8.268   6.449   5.822
    5   1HB   ALA   1          1HB       ALA   1  -6.917   4.970   7.507
    6   2HB   ALA   1          2HB       ALA   1  -6.790   6.727   7.576
    7   3HB   ALA   1          3HB       ALA   1  -7.823   5.871   8.723
    8    H    THR   2           H        THR   2  -7.389   3.906   6.024
    9    HA   THR   2           HA       THR   2  -9.838   2.317   5.738
   10    HB   THR   2           HB       THR   2  -7.166   1.290   4.889
   11    HG1  THR   2           1HG      THR   2  -6.969   2.725   3.337
   12   1HG2  THR   2          1HG2      THR   2  -9.210  -0.095   4.740
   13   2HG2  THR   2          2HG2      THR   2  -8.473   0.202   3.167
   14   3HG2  THR   2          3HG2      THR   2  -9.912   1.101   3.648
   15    H    THR   3           H        THR   3 -10.324   1.506   7.703
   16    HA   THR   3           HA       THR   3  -8.290   0.675   9.552
   17    HB   THR   3           HB       THR   3 -11.069  -0.175  10.048
   18    HG1  THR   3           1HG      THR   3 -11.945   1.699   9.611
   19   1HG2  THR   3          1HG2      THR   3  -9.212  -0.204  11.723
   20   2HG2  THR   3          2HG2      THR   3 -10.622   0.724  12.237
   21   3HG2  THR   3          3HG2      THR   3  -9.185   1.559  11.650
   22    H    ILE   4           H        ILE   4  -7.391  -1.261   9.675
   23    HA   ILE   4           HA       ILE   4  -8.395  -3.419   8.015
   24    HB   ILE   4           HB       ILE   4  -5.990  -3.481   9.844
   25   1HG1  ILE   4          1HG1      ILE   4  -5.856  -2.970   6.884
   26   2HG1  ILE   4          2HG1      ILE   4  -6.122  -1.622   8.016
   27   1HG2  ILE   4          1HG2      ILE   4  -5.886  -5.027   7.389
   28   2HG2  ILE   4          2HG2      ILE   4  -5.595  -5.529   9.055
   29   3HG2  ILE   4          3HG2      ILE   4  -7.240  -5.499   8.417
   30   1HD1  ILE   4          1HD1      ILE   4  -3.921  -3.233   8.916
   31   2HD1  ILE   4          2HD1      ILE   4  -3.674  -2.761   7.233
   32   3HD1  ILE   4          3HD1      ILE   4  -3.951  -1.529   8.466
   33    H    GLY   5           H        GLY   5 -10.340  -3.869   9.097
   34   1HA   GLY   5          1HA       GLY   5 -10.426  -4.677  11.836
   35   2HA   GLY   5          2HA       GLY   5 -11.685  -4.936  10.634
   36    HA   PRO   6           HA       PRO   6  -9.226  -8.841  11.914
   37   1HB   PRO   6          1HB       PRO   6 -11.381 -10.274  12.894
   38   2HB   PRO   6          2HB       PRO   6 -10.320  -9.212  13.876
   39   1HG   PRO   6          1HG       PRO   6 -12.965  -8.577  12.649
   40   2HG   PRO   6          2HG       PRO   6 -12.405  -8.262  14.323
   41   1HD   PRO   6          1HD       PRO   6 -12.421  -6.322  12.458
   42   2HD   PRO   6          2HD       PRO   6 -11.050  -6.467  13.599
   43    H    ASN   7           H        ASN   7 -12.491  -8.609  10.497
   44    HA   ASN   7           HA       ASN   7 -11.854 -10.969   8.869
   45   1HB   ASN   7          1HB       ASN   7 -14.301  -9.984  10.145
   46   2HB   ASN   7          2HB       ASN   7 -14.536 -10.481   8.455
   47   1HD2  ASN   7          1HD2      ASN   7 -12.727 -11.631  11.293
   48   2HD2  ASN   7          2HD2      ASN   7 -13.181 -13.294  11.133
   49    H    THR   8           H        THR   8 -10.849  -8.337   8.215
   50    HA   THR   8           HA       THR   8 -12.326  -7.135   6.130
   51    HB   THR   8           HB       THR   8  -9.846  -6.509   5.387
   52    HG1  THR   8           1HG      THR   8  -9.326  -6.860   8.123
   53   1HG2  THR   8          1HG2      THR   8 -11.514  -5.497   7.646
   54   2HG2  THR   8          2HG2      THR   8 -11.109  -4.725   6.113
   55   3HG2  THR   8          3HG2      THR   8  -9.904  -4.820   7.399
   56    H    CYS   9           H        CYS   9  -9.474  -9.246   5.963
   57    HA   CYS   9           HA       CYS   9 -10.023  -9.877   3.195
   58   1HB   CYS   9          1HB       CYS   9  -7.701  -9.533   4.274
   59   2HB   CYS   9          2HB       CYS   9  -7.910 -11.170   4.916
   60    H    SER  10           H        SER  10 -12.169 -10.772   3.877
   61    HA   SER  10           HA       SER  10 -12.148 -13.379   5.121
   62   1HB   SER  10          1HB       SER  10 -14.625 -12.826   3.787
   63   2HB   SER  10          2HB       SER  10 -14.282 -12.835   5.534
   64    HG   SER  10           HG       SER  10 -13.905 -10.680   5.493
   65    H    ILE  11           H        ILE  11 -11.001 -12.485   2.326
   66    HA   ILE  11           HA       ILE  11 -12.240 -14.089   0.365
   67    HB   ILE  11           HB       ILE  11  -9.308 -13.445   0.288
   68   1HG1  ILE  11          1HG1      ILE  11 -11.597 -11.494  -0.048
   69   2HG1  ILE  11          2HG1      ILE  11 -10.268 -11.407   1.133
   70   1HG2  ILE  11          1HG2      ILE  11  -9.636 -13.254  -2.061
   71   2HG2  ILE  11          2HG2      ILE  11 -10.486 -14.711  -1.547
   72   3HG2  ILE  11          3HG2      ILE  11 -11.390 -13.235  -1.879
   73   1HD1  ILE  11          1HD1      ILE  11  -9.540  -9.893  -0.415
   74   2HD1  ILE  11          2HD1      ILE  11  -8.796 -11.356  -1.059
   75   3HD1  ILE  11          3HD1      ILE  11 -10.290 -10.737  -1.769
   76    H    ASP  12           H        ASP  12 -11.247 -15.946  -0.675
   77    HA   ASP  12           HA       ASP  12 -11.235 -18.286   0.343
   78   1HB   ASP  12          1HB       ASP  12 -10.151 -17.369  -1.909
   79   2HB   ASP  12          2HB       ASP  12  -8.654 -17.836  -1.073
   80    H    ASP  13           H        ASP  13  -7.859 -17.365   0.165
   81    HA   ASP  13           HA       ASP  13  -7.472 -17.690   3.023
   82   1HB   ASP  13          1HB       ASP  13  -7.335 -19.999   1.999
   83   2HB   ASP  13          2HB       ASP  13  -5.935 -19.424   1.068
   84    H    TYR  14           H        TYR  14  -6.822 -15.542   2.999
   85    HA   TYR  14           HA       TYR  14  -4.258 -15.000   1.693
   86   1HB   TYR  14          1HB       TYR  14  -6.860 -13.590   1.181
   87   2HB   TYR  14          2HB       TYR  14  -5.345 -12.675   1.106
   88    HD1  TYR  14           1HD      TYR  14  -3.503 -13.620  -0.435
   89    HD2  TYR  14           2HD      TYR  14  -7.583 -14.781  -0.703
   90    HE1  TYR  14           1HE      TYR  14  -3.109 -14.431  -2.716
   91    HE2  TYR  14           2HE      TYR  14  -7.212 -15.586  -2.998
   92    HH   TYR  14           HH       TYR  14  -5.228 -14.859  -4.917
   93    H    LYS  15           H        LYS  15  -3.318 -12.929   2.434
   94    HA   LYS  15           HA       LYS  15  -4.219 -12.227   5.150
   95   1HB   LYS  15          1HB       LYS  15  -1.411 -11.836   4.106
   96   2HB   LYS  15          2HB       LYS  15  -1.976 -11.803   5.794
   97   1HG   LYS  15          1HG       LYS  15  -1.993 -14.082   5.981
   98   2HG   LYS  15          2HG       LYS  15  -2.296 -14.335   4.246
   99   1HD   LYS  15          1HD       LYS  15  -0.118 -14.711   3.949
  100   2HD   LYS  15          2HD       LYS  15   0.217 -13.039   4.461
  101   1HE   LYS  15          1HE       LYS  15   1.466 -14.145   6.026
  102   2HE   LYS  15          2HE       LYS  15  -0.091 -14.127   6.881
  103   1HZ   LYS  15          1HZ       LYS  15   0.827 -16.374   5.156
  104   2HZ   LYS  15          2HZ       LYS  15  -0.525 -16.349   6.185
  105   3HZ   LYS  15          3HZ       LYS  15   1.039 -16.325   6.840
  106    HA   PRO  16           HA       PRO  16  -4.808  -8.140   3.493
  107   1HB   PRO  16          1HB       PRO  16  -4.531  -7.053   6.209
  108   2HB   PRO  16          2HB       PRO  16  -5.982  -7.198   5.166
  109   1HG   PRO  16          1HG       PRO  16  -5.591  -8.653   7.414
  110   2HG   PRO  16          2HG       PRO  16  -6.626  -9.182   6.048
  111   1HD   PRO  16          1HD       PRO  16  -3.829 -10.001   6.829
  112   2HD   PRO  16          2HD       PRO  16  -5.147 -10.973   6.108
  113    H    TYR  17           H        TYR  17  -3.312  -6.942   2.533
  114    HA   TYR  17           HA       TYR  17  -0.786  -6.425   3.967
  115   1HB   TYR  17          1HB       TYR  17  -1.325  -7.237   1.131
  116   2HB   TYR  17          2HB       TYR  17   0.067  -6.197   1.476
  117    HD1  TYR  17           1HD      TYR  17   2.069  -7.318   1.653
  118    HD2  TYR  17           2HD      TYR  17  -1.463  -9.273   2.978
  119    HE1  TYR  17           1HE      TYR  17   3.392  -9.307   2.218
  120    HE2  TYR  17           2HE      TYR  17  -0.157 -11.265   3.556
  121    HH   TYR  17           HH       TYR  17   3.085 -11.692   2.565
  122    H    CYS  18           H        CYS  18  -0.258  -4.353   4.200
  123    HA   CYS  18           HA       CYS  18  -1.805  -2.350   2.742
  124   1HB   CYS  18          1HB       CYS  18  -0.129  -2.331   5.223
  125   2HB   CYS  18          2HB       CYS  18  -0.289  -0.822   4.310
  126    H    CYS  19           H        CYS  19  -1.037  -1.759   0.842
  127    HA   CYS  19           HA       CYS  19   1.838  -1.275   0.560
  128   1HB   CYS  19          1HB       CYS  19   0.727  -3.524  -0.476
  129   2HB   CYS  19          2HB       CYS  19   0.438  -2.394  -1.809
  130    H    GLN  20           H        GLN  20   2.306   0.109  -1.364
  131    HA   GLN  20           HA       GLN  20   0.109   2.009  -1.757
  132   1HB   GLN  20          1HB       GLN  20   3.096   2.197  -1.915
  133   2HB   GLN  20          2HB       GLN  20   2.100   3.345  -2.842
  134   1HG   GLN  20          1HG       GLN  20   1.990   4.601  -1.015
  135   2HG   GLN  20          2HG       GLN  20   0.987   3.333  -0.278
  136   1HE2  GLN  20          1HE2      GLN  20   2.110   4.501   1.608
  137   2HE2  GLN  20          2HE2      GLN  20   3.582   3.772   2.172
  138    H    SER  21           H        SER  21  -1.109   1.366  -3.443
  139    HA   SER  21           HA       SER  21   0.101   0.299  -5.842
  140   1HB   SER  21          1HB       SER  21  -2.733   0.901  -4.989
  141   2HB   SER  21          2HB       SER  21  -2.348   0.510  -6.683
  142    HG   SER  21           HG       SER  21  -1.841  -1.111  -4.382
  143    H    MET  22           H        MET  22   1.337   1.819  -6.806
  144    HA   MET  22           HA       MET  22   0.138   4.456  -7.305
  145   1HB   MET  22          1HB       MET  22   2.240   4.354  -5.932
  146   2HB   MET  22          2HB       MET  22   3.071   3.719  -7.372
  147   1HG   MET  22          1HG       MET  22   1.995   5.931  -8.442
  148   2HG   MET  22          2HG       MET  22   2.127   6.472  -6.760
  149   1HE   MET  22          1HE       MET  22   3.687   8.330  -8.355
  150   2HE   MET  22          2HE       MET  22   5.192   7.820  -9.117
  151   3HE   MET  22          3HE       MET  22   3.647   7.241  -9.742
  152    H    SER  23           H        SER  23  -0.156   5.149  -9.320
  153    HA   SER  23           HA       SER  23   0.355   3.333 -11.511
  154   1HB   SER  23          1HB       SER  23  -0.716   6.102 -11.910
  155   2HB   SER  23          2HB       SER  23  -1.180   4.579 -12.706
  156    HG   SER  23           HG       SER  23  -2.444   4.056 -11.023
  157    H    GLY  24           H        GLY  24   2.505   3.286 -11.961
  158   1HA   GLY  24          1HA       GLY  24   3.966   5.792 -12.297
  159   2HA   GLY  24          2HA       GLY  24   4.655   4.175 -12.316
  160    HA   PRO  25           HA       PRO  25   3.238   5.455 -16.725
  161   1HB   PRO  25          1HB       PRO  25   4.271   8.149 -16.999
  162   2HB   PRO  25          2HB       PRO  25   2.571   7.580 -17.053
  163   1HG   PRO  25          1HG       PRO  25   3.654   9.159 -15.080
  164   2HG   PRO  25          2HG       PRO  25   2.139   8.210 -14.932
  165   1HD   PRO  25          1HD       PRO  25   4.927   7.632 -13.936
  166   2HD   PRO  25          2HD       PRO  25   3.344   7.244 -13.197
  167    H    ALA  26           H        ALA  26   4.584   4.998 -18.410
  168    HA   ALA  26           HA       ALA  26   7.478   5.133 -17.848
  169   1HB   ALA  26          1HB       ALA  26   5.876   2.965 -18.561
  170   2HB   ALA  26          2HB       ALA  26   6.772   3.376 -20.024
  171   3HB   ALA  26          3HB       ALA  26   7.638   3.020 -18.529
  172    H    GLY  27           H        GLY  27   6.525   7.446 -18.701
  173   1HA   GLY  27          1HA       GLY  27   6.436   7.639 -21.574
  174   2HA   GLY  27          2HA       GLY  27   6.367   8.976 -20.432
  175    H    SER  28           H        SER  28   7.959   8.403 -22.939
  176    HA   SER  28           HA       SER  28  10.454   9.473 -21.877
  177   1HB   SER  28          1HB       SER  28  10.334   7.115 -23.790
  178   2HB   SER  28          2HB       SER  28  11.812   7.996 -23.337
  179    HG   SER  28           HG       SER  28  10.152   6.894 -21.334
  180    HA   PRO  29           HA       PRO  29   9.457  12.211 -25.291
  181   1HB   PRO  29          1HB       PRO  29  12.060  13.455 -24.548
  182   2HB   PRO  29          2HB       PRO  29  10.405  14.145 -24.590
  183   1HG   PRO  29          1HG       PRO  29  11.670  13.628 -22.299
  184   2HG   PRO  29          2HG       PRO  29   9.888  13.493 -22.459
  185   1HD   PRO  29          1HD       PRO  29  12.028  11.356 -22.420
  186   2HD   PRO  29          2HD       PRO  29  10.387  11.343 -21.705
  187    H    GLY  30           H        GLY  30   9.779  11.382 -27.255
  188   1HA   GLY  30          1HA       GLY  30  11.325  11.397 -29.159
  189   2HA   GLY  30          2HA       GLY  30  12.551  10.761 -28.071
  190    H    LEU  31           H        LEU  31  12.985   8.879 -29.135
  191    HA   LEU  31           HA       LEU  31  10.901   7.134 -30.057
  192   1HB   LEU  31          1HB       LEU  31  13.480   7.431 -30.744
  193   2HB   LEU  31          2HB       LEU  31  13.637   6.076 -29.602
  194    HG   LEU  31           HG       LEU  31  11.930   4.844 -30.967
  195   1HD1  LEU  31          1HD1      LEU  31  12.005   7.382 -32.450
  196   2HD1  LEU  31          2HD1      LEU  31  12.038   5.922 -33.438
  197   3HD1  LEU  31          3HD1      LEU  31  10.716   6.189 -32.301
  198   1HD2  LEU  31          1HD2      LEU  31  13.609   3.892 -32.098
  199   2HD2  LEU  31          2HD2      LEU  31  14.027   5.390 -32.928
  200   3HD2  LEU  31          3HD2      LEU  31  14.631   5.085 -31.299
  201    H    LEU  32           H        LEU  32   9.830   5.653 -28.940
  202    HA   LEU  32           HA       LEU  32  10.867   4.875 -26.298
  203   1HB   LEU  32          1HB       LEU  32   8.352   5.799 -27.072
  204   2HB   LEU  32          2HB       LEU  32   8.140   4.044 -26.869
  205    HG   LEU  32           HG       LEU  32   9.591   5.338 -24.666
  206   1HD1  LEU  32          1HD1      LEU  32   7.745   6.994 -25.528
  207   2HD1  LEU  32          2HD1      LEU  32   6.664   5.875 -24.695
  208   3HD1  LEU  32          3HD1      LEU  32   7.954   6.683 -23.806
  209   1HD2  LEU  32          1HD2      LEU  32   7.552   4.058 -23.534
  210   2HD2  LEU  32          2HD2      LEU  32   7.526   3.257 -25.105
  211   3HD2  LEU  32          3HD2      LEU  32   8.987   3.215 -24.118
  212    H    ASN  33           H        ASN  33  12.259   3.267 -27.018
  213    HA   ASN  33           HA       ASN  33  11.336   1.178 -28.773
  214   1HB   ASN  33          1HB       ASN  33  13.709   2.013 -28.719
  215   2HB   ASN  33          2HB       ASN  33  13.877   1.254 -27.121
  216   1HD2  ASN  33          1HD2      ASN  33  15.426  -0.208 -27.746
  217   2HD2  ASN  33          2HD2      ASN  33  15.106  -1.533 -28.826
  218    H    LEU  34           H        LEU  34  10.587  -0.785 -28.227
  219    HA   LEU  34           HA       LEU  34   9.954  -1.229 -25.438
  220   1HB   LEU  34          1HB       LEU  34   8.772  -1.923 -27.917
  221   2HB   LEU  34          2HB       LEU  34   9.212  -3.443 -27.100
  222    HG   LEU  34           HG       LEU  34   7.816  -1.442 -25.426
  223   1HD1  LEU  34          1HD1      LEU  34   5.614  -2.007 -26.333
  224   2HD1  LEU  34          2HD1      LEU  34   6.603  -1.145 -27.512
  225   3HD1  LEU  34          3HD1      LEU  34   6.387  -2.889 -27.651
  226   1HD2  LEU  34          1HD2      LEU  34   6.509  -3.715 -25.051
  227   2HD2  LEU  34          2HD2      LEU  34   7.976  -4.387 -25.763
  228   3HD2  LEU  34          3HD2      LEU  34   8.075  -3.407 -24.301
  229    H    ILE  35           H        ILE  35  12.046  -1.585 -24.630
  230    HA   ILE  35           HA       ILE  35  13.483  -3.944 -25.547
  231    HB   ILE  35           HB       ILE  35  14.716  -3.012 -23.210
  232   1HG1  ILE  35          1HG1      ILE  35  14.714  -0.581 -24.831
  233   2HG1  ILE  35          2HG1      ILE  35  13.117  -0.934 -24.128
  234   1HG2  ILE  35          1HG2      ILE  35  16.331  -3.520 -24.648
  235   2HG2  ILE  35          2HG2      ILE  35  15.271  -3.274 -26.036
  236   3HG2  ILE  35          3HG2      ILE  35  16.121  -1.905 -25.322
  237   1HD1  ILE  35          1HD1      ILE  35  14.473   0.531 -22.696
  238   2HD1  ILE  35          2HD1      ILE  35  14.091  -0.999 -21.906
  239   3HD1  ILE  35          3HD1      ILE  35  15.699  -0.730 -22.577
  240    HA   PRO  36           HA       PRO  36  11.571  -6.765 -22.794
  241   1HB   PRO  36          1HB       PRO  36  14.330  -7.813 -22.243
  242   2HB   PRO  36          2HB       PRO  36  12.854  -8.645 -22.831
  243   1HG   PRO  36          1HG       PRO  36  14.871  -8.068 -24.459
  244   2HG   PRO  36          2HG       PRO  36  13.167  -8.039 -25.019
  245   1HD   PRO  36          1HD       PRO  36  15.062  -5.794 -24.374
  246   2HD   PRO  36          2HD       PRO  36  13.740  -5.868 -25.578
  247    H    VAL  37           H        VAL  37  10.841  -6.227 -20.893
  248    HA   VAL  37           HA       VAL  37  12.623  -5.983 -18.627
  249    HB   VAL  37           HB       VAL  37  12.278  -3.649 -19.635
  250   1HG1  VAL  37          1HG1      VAL  37   9.602  -3.741 -18.286
  251   2HG1  VAL  37          2HG1      VAL  37  10.251  -2.517 -19.379
  252   3HG1  VAL  37          3HG1      VAL  37   9.784  -4.099 -20.003
  253   1HG2  VAL  37          1HG2      VAL  37  12.631  -4.493 -17.062
  254   2HG2  VAL  37          2HG2      VAL  37  12.769  -2.826 -17.622
  255   3HG2  VAL  37          3HG2      VAL  37  11.258  -3.398 -16.915
  256    H    ASP  38           H        ASP  38  11.422  -6.131 -16.581
  257    HA   ASP  38           HA       ASP  38   8.717  -7.241 -16.940
  258   1HB   ASP  38          1HB       ASP  38  10.343  -9.037 -16.454
  259   2HB   ASP  38          2HB       ASP  38  10.818  -8.189 -14.967
  260    H    LEU  39           H        LEU  39   7.181  -6.355 -15.765
  261    HA   LEU  39           HA       LEU  39   7.943  -4.831 -13.361
  262   1HB   LEU  39          1HB       LEU  39   6.936  -3.691 -15.613
  263   2HB   LEU  39          2HB       LEU  39   5.437  -4.065 -14.729
  264    HG   LEU  39           HG       LEU  39   6.508  -2.841 -12.749
  265   1HD1  LEU  39          1HD1      LEU  39   8.184  -1.127 -13.400
  266   2HD1  LEU  39          2HD1      LEU  39   8.795  -2.779 -13.482
  267   3HD1  LEU  39          3HD1      LEU  39   8.345  -1.932 -14.962
  268   1HD2  LEU  39          1HD2      LEU  39   4.898  -1.468 -13.463
  269   2HD2  LEU  39          2HD2      LEU  39   6.180  -0.588 -14.297
  270   3HD2  LEU  39          3HD2      LEU  39   5.247  -1.810 -15.158
  271    H    SER  40           H        SER  40   7.123  -7.624 -13.804
  272    HA   SER  40           HA       SER  40   4.534  -7.700 -12.433
  273   1HB   SER  40          1HB       SER  40   5.708 -10.288 -13.084
  274   2HB   SER  40          2HB       SER  40   4.137  -9.602 -13.567
  275    HG   SER  40           HG       SER  40   6.595  -9.598 -14.905
  276    H    ALA  41           H        ALA  41   7.888  -8.804 -12.177
  277    HA   ALA  41           HA       ALA  41   7.480  -9.829  -9.495
  278   1HB   ALA  41          1HB       ALA  41  10.179  -9.342 -10.679
  279   2HB   ALA  41          2HB       ALA  41   9.635 -10.649  -9.626
  280   3HB   ALA  41          3HB       ALA  41   9.164 -10.631 -11.326
  281    H    SER  42           H        SER  42   6.600  -7.737  -8.764
  282    HA   SER  42           HA       SER  42   8.654  -6.231  -7.413
  283   1HB   SER  42          1HB       SER  42   6.894  -4.965  -9.520
  284   2HB   SER  42          2HB       SER  42   7.656  -4.018  -8.220
  285    HG   SER  42           HG       SER  42   9.349  -5.745  -9.575
  286    H    LEU  43           H        LEU  43   7.731  -6.835  -5.477
  287    HA   LEU  43           HA       LEU  43   5.472  -5.265  -4.659
  288   1HB   LEU  43          1HB       LEU  43   5.115  -8.091  -5.312
  289   2HB   LEU  43          2HB       LEU  43   4.637  -7.698  -3.643
  290    HG   LEU  43           HG       LEU  43   3.340  -7.009  -6.205
  291   1HD1  LEU  43          1HD1      LEU  43   1.739  -6.749  -3.848
  292   2HD1  LEU  43          2HD1      LEU  43   1.627  -7.929  -5.154
  293   3HD1  LEU  43          3HD1      LEU  43   2.688  -8.234  -3.778
  294   1HD2  LEU  43          1HD2      LEU  43   2.338  -4.942  -5.293
  295   2HD2  LEU  43          2HD2      LEU  43   3.490  -5.001  -3.959
  296   3HD2  LEU  43          3HD2      LEU  43   4.066  -4.784  -5.614
  297    H    GLY  44           H        GLY  44   6.442  -4.373  -2.979
  298   1HA   GLY  44          1HA       GLY  44   7.560  -6.195  -0.944
  299   2HA   GLY  44          2HA       GLY  44   8.274  -4.624  -1.290
  300    H    CYS  45           H        CYS  45   5.586  -6.304   0.152
  301    HA   CYS  45           HA       CYS  45   4.791  -3.814   1.486
  302   1HB   CYS  45          1HB       CYS  45   2.710  -5.867   0.949
  303   2HB   CYS  45          2HB       CYS  45   2.562  -4.106   1.059
  304    H    VAL  46           H        VAL  46   3.395  -4.281   3.440
  305    HA   VAL  46           HA       VAL  46   4.403  -6.686   4.812
  306    HB   VAL  46           HB       VAL  46   3.884  -5.152   6.912
  307   1HG1  VAL  46          1HG1      VAL  46   6.175  -5.977   5.528
  308   2HG1  VAL  46          2HG1      VAL  46   6.440  -4.285   5.949
  309   3HG1  VAL  46          3HG1      VAL  46   6.062  -5.458   7.210
  310   1HG2  VAL  46          1HG2      VAL  46   4.208  -3.241   4.649
  311   2HG2  VAL  46          2HG2      VAL  46   3.166  -3.144   6.067
  312   3HG2  VAL  46          3HG2      VAL  46   4.895  -2.825   6.218
  313    H    VAL  47           H        VAL  47   3.002  -7.556   6.461
  314    HA   VAL  47           HA       VAL  47   0.283  -7.710   5.724
  315    HB   VAL  47           HB       VAL  47   0.853  -8.431   8.511
  316   1HG1  VAL  47          1HG1      VAL  47   0.189 -10.509   6.565
  317   2HG1  VAL  47          2HG1      VAL  47  -0.624 -10.056   8.064
  318   3HG1  VAL  47          3HG1      VAL  47  -0.933  -9.151   6.581
  319   1HG2  VAL  47          1HG2      VAL  47   3.042  -8.949   7.919
  320   2HG2  VAL  47          2HG2      VAL  47   2.197 -10.478   7.677
  321   3HG2  VAL  47          3HG2      VAL  47   2.586  -9.456   6.293
  322    H    GLY  48           H        GLY  48  -1.531  -6.807   6.611
  323   1HA   GLY  48          1HA       GLY  48  -1.176  -4.208   7.781
  324   2HA   GLY  48          2HA       GLY  48  -2.703  -4.975   7.367
  325    H    VAL  49           H        VAL  49  -1.850  -3.478   9.764
  326    HA   VAL  49           HA       VAL  49  -1.790  -5.467  11.867
  327    HB   VAL  49           HB       VAL  49  -2.170  -2.538  12.384
  328   1HG1  VAL  49          1HG1      VAL  49  -0.253  -4.084  13.953
  329   2HG1  VAL  49          2HG1      VAL  49  -1.571  -3.038  14.480
  330   3HG1  VAL  49          3HG1      VAL  49  -1.901  -4.708  14.021
  331   1HG2  VAL  49          1HG2      VAL  49  -0.335  -2.893  10.663
  332   2HG2  VAL  49          2HG2      VAL  49   0.124  -2.051  12.142
  333   3HG2  VAL  49          3HG2      VAL  49   0.545  -3.749  11.930
  334    H    ILE  50           H        ILE  50  -3.534  -6.308  12.751
  335    HA   ILE  50           HA       ILE  50  -6.136  -5.557  11.896
  336    HB   ILE  50           HB       ILE  50  -5.359  -7.393  14.170
  337   1HG1  ILE  50          1HG1      ILE  50  -6.296  -8.488  11.588
  338   2HG1  ILE  50          2HG1      ILE  50  -4.694  -7.714  11.553
  339   1HG2  ILE  50          1HG2      ILE  50  -7.607  -8.406  13.669
  340   2HG2  ILE  50          2HG2      ILE  50  -7.645  -6.808  14.413
  341   3HG2  ILE  50          3HG2      ILE  50  -7.943  -6.982  12.684
  342   1HD1  ILE  50          1HD1      ILE  50  -5.386 -10.317  12.450
  343   2HD1  ILE  50          2HD1      ILE  50  -3.799  -9.553  12.408
  344   3HD1  ILE  50          3HD1      ILE  50  -4.814  -9.398  13.841
  345    H    GLY  51           H        GLY  51  -7.414  -4.042  12.663
  346   1HA   GLY  51          1HA       GLY  51  -8.562  -2.846  14.328
  347   2HA   GLY  51          2HA       GLY  51  -7.342  -3.336  15.495
  348    H    SER  52           H        SER  52  -5.764  -2.332  12.770
  349    HA   SER  52           HA       SER  52  -5.378   0.345  13.917
  350   1HB   SER  52          1HB       SER  52  -3.511  -1.208  12.106
  351   2HB   SER  52          2HB       SER  52  -3.169   0.347  12.902
  352    HG   SER  52           HG       SER  52  -3.965  -1.822  14.495
  353    H    GLN  53           H        GLN  53  -4.928   2.096  12.402
  354    HA   GLN  53           HA       GLN  53  -6.665   1.880  10.058
  355   1HB   GLN  53          1HB       GLN  53  -5.600   4.183  11.677
  356   2HB   GLN  53          2HB       GLN  53  -6.273   4.443  10.050
  357   1HG   GLN  53          1HG       GLN  53  -8.309   4.515  10.925
  358   2HG   GLN  53          2HG       GLN  53  -8.124   2.829  11.458
  359   1HE2  GLN  53          1HE2      GLN  53  -8.001   2.425  13.583
  360   2HE2  GLN  53          2HE2      GLN  53  -7.893   3.625  14.823
  361    H    CYS  54           H        CYS  54  -5.894   1.817   8.066
  362    HA   CYS  54           HA       CYS  54  -3.036   2.376   7.649
  363   1HB   CYS  54          1HB       CYS  54  -4.105   0.052   7.177
  364   2HB   CYS  54          2HB       CYS  54  -4.796   0.837   5.748
  365    H    GLY  55           H        GLY  55  -2.409   3.877   6.175
  366   1HA   GLY  55          1HA       GLY  55  -4.541   5.391   4.827
  367   2HA   GLY  55          2HA       GLY  55  -2.903   5.960   5.118
  368    H    ALA  56           H        ALA  56  -3.036   2.761   4.027
  369    HA   ALA  56           HA       ALA  56  -2.364   3.637   1.299
  370   1HB   ALA  56          1HB       ALA  56  -0.398   2.650   1.654
  371   2HB   ALA  56          2HB       ALA  56  -0.952   1.937   3.169
  372   3HB   ALA  56          3HB       ALA  56  -1.260   1.112   1.641
  373    H    SER  57           H        SER  57  -2.521   1.579  -0.223
  374    HA   SER  57           HA       SER  57  -5.303   0.841  -0.184
  375   1HB   SER  57          1HB       SER  57  -3.822  -0.521  -2.233
  376   2HB   SER  57          2HB       SER  57  -4.990   0.812  -2.405
  377    HG   SER  57           HG       SER  57  -3.340   2.029  -2.877
  378    H    VAL  58           H        VAL  58  -6.034  -0.877   0.868
  379    HA   VAL  58           HA       VAL  58  -4.199  -2.924   1.778
  380    HB   VAL  58           HB       VAL  58  -6.463  -3.867   2.737
  381   1HG1  VAL  58          1HG1      VAL  58  -5.248  -3.282   4.506
  382   2HG1  VAL  58          2HG1      VAL  58  -4.532  -1.915   3.655
  383   3HG1  VAL  58          3HG1      VAL  58  -6.092  -1.735   4.457
  384   1HG2  VAL  58          1HG2      VAL  58  -7.544  -1.833   1.336
  385   2HG2  VAL  58          2HG2      VAL  58  -8.275  -2.528   2.782
  386   3HG2  VAL  58          3HG2      VAL  58  -7.317  -1.053   2.901
  387    H    LYS  59           H        LYS  59  -3.707  -4.526   0.513
  388    HA   LYS  59           HA       LYS  59  -5.796  -5.733  -1.178
  389   1HB   LYS  59          1HB       LYS  59  -4.067  -6.479  -2.695
  390   2HB   LYS  59          2HB       LYS  59  -3.923  -4.721  -2.457
  391   1HG   LYS  59          1HG       LYS  59  -2.006  -4.966  -1.084
  392   2HG   LYS  59          2HG       LYS  59  -2.256  -6.721  -0.922
  393   1HD   LYS  59          1HD       LYS  59  -0.426  -6.130  -2.504
  394   2HD   LYS  59          2HD       LYS  59  -1.739  -7.062  -3.264
  395   1HE   LYS  59          1HE       LYS  59  -2.696  -4.686  -3.844
  396   2HE   LYS  59          2HE       LYS  59  -1.018  -4.161  -3.581
  397   1HZ   LYS  59          1HZ       LYS  59  -2.168  -5.644  -5.768
  398   2HZ   LYS  59          2HZ       LYS  59  -0.740  -6.332  -5.179
  399   3HZ   LYS  59          3HZ       LYS  59  -0.742  -4.722  -5.710
  400    H    CYS  60           H        CYS  60  -5.197  -8.157  -1.607
  401    HA   CYS  60           HA       CYS  60  -4.396  -9.293   0.993
  402   1HB   CYS  60          1HB       CYS  60  -6.624 -10.068  -0.883
  403   2HB   CYS  60          2HB       CYS  60  -5.936 -11.247   0.246
  404    H    CYS  61           H        CYS  61  -2.637 -10.486   0.920
  405    HA   CYS  61           HA       CYS  61  -1.928 -11.725  -1.651
  406   1HB   CYS  61          1HB       CYS  61  -0.627  -9.545  -0.515
  407   2HB   CYS  61          2HB       CYS  61   0.382 -10.926  -0.058
  408    H    LYS  62           H        LYS  62  -0.946 -13.642  -1.598
  409    HA   LYS  62           HA       LYS  62  -0.108 -14.790   0.954
  410   1HB   LYS  62          1HB       LYS  62  -2.434 -15.584  -0.418
  411   2HB   LYS  62          2HB       LYS  62  -1.208 -16.817  -0.799
  412   1HG   LYS  62          1HG       LYS  62  -1.155 -16.175   2.017
  413   2HG   LYS  62          2HG       LYS  62  -2.801 -16.625   1.508
  414   1HD   LYS  62          1HD       LYS  62  -0.260 -18.238   1.119
  415   2HD   LYS  62          2HD       LYS  62  -1.613 -18.612   2.213
  416   1HE   LYS  62          1HE       LYS  62  -2.247 -18.249  -0.681
  417   2HE   LYS  62          2HE       LYS  62  -1.361 -19.718  -0.219
  418   1HZ   LYS  62          1HZ       LYS  62  -4.004 -19.538  -0.180
  419   2HZ   LYS  62          2HZ       LYS  62  -3.683 -19.042   1.414
  420   3HZ   LYS  62          3HZ       LYS  62  -3.133 -20.547   0.871
  421    H    ASP  63           H        ASP  63   1.777 -15.915   0.760
  422    HA   ASP  63           HA       ASP  63   2.880 -16.599  -1.798
  423   1HB   ASP  63          1HB       ASP  63   3.044 -13.962  -1.272
  424   2HB   ASP  63          2HB       ASP  63   4.505 -14.518  -0.426
  425    H    ASP  64           H        ASP  64   5.466 -16.734  -1.361
  426    HA   ASP  64           HA       ASP  64   5.707 -18.752   0.692
  427   1HB   ASP  64          1HB       ASP  64   6.846 -19.169  -1.375
  428   2HB   ASP  64          2HB       ASP  64   7.636 -17.578  -1.326
  429    H    VAL  65           H        VAL  65   7.868 -16.055  -0.047
  430    HA   VAL  65           HA       VAL  65   9.096 -14.650   1.236
  431    HB   VAL  65           HB       VAL  65   6.845 -14.413   3.157
  432   1HG1  VAL  65          1HG1      VAL  65   9.181 -12.992   2.585
  433   2HG1  VAL  65          2HG1      VAL  65   7.848 -11.977   2.033
  434   3HG1  VAL  65          3HG1      VAL  65   7.895 -12.542   3.704
  435   1HG2  VAL  65          1HG2      VAL  65   6.487 -14.295   0.339
  436   2HG2  VAL  65          2HG2      VAL  65   5.318 -13.937   1.607
  437   3HG2  VAL  65          3HG2      VAL  65   6.356 -12.658   0.979
  438    H    THR  66           H        THR  66  10.661 -15.928   2.088
  439    HA   THR  66           HA       THR  66  10.257 -17.216   4.638
  440    HB   THR  66           HB       THR  66  11.762 -18.140   2.829
  441    HG1  THR  66           1HG      THR  66  13.533 -18.509   4.536
  442   1HG2  THR  66          1HG2      THR  66  13.618 -17.089   2.129
  443   2HG2  THR  66          2HG2      THR  66  14.038 -16.550   3.755
  444   3HG2  THR  66          3HG2      THR  66  12.863 -15.644   2.803
  445    H    ASN  67           H        ASN  67  11.011 -16.491   6.584
  446    HA   ASN  67           HA       ASN  67  12.005 -13.712   6.612
  447   1HB   ASN  67          1HB       ASN  67   9.602 -14.779   7.696
  448   2HB   ASN  67          2HB       ASN  67  10.661 -14.368   9.063
  449   1HD2  ASN  67          1HD2      ASN  67  11.384 -12.195   9.281
  450   2HD2  ASN  67          2HD2      ASN  67  10.497 -10.890   8.556
  451    H    THR  68           H        THR  68  13.982 -15.294   6.506
  452    HA   THR  68           HA       THR  68  14.726 -16.492   8.995
  453    HB   THR  68           HB       THR  68  16.986 -16.208   7.313
  454    HG1  THR  68           1HG      THR  68  16.227 -16.625   5.328
  455   1HG2  THR  68          1HG2      THR  68  16.614 -18.674   6.999
  456   2HG2  THR  68          2HG2      THR  68  15.108 -18.498   7.898
  457   3HG2  THR  68          3HG2      THR  68  16.649 -18.143   8.681
  458    H    GLY  69           H        GLY  69  15.661 -13.628   7.198
  459   1HA   GLY  69          1HA       GLY  69  16.393 -12.252   9.600
  460   2HA   GLY  69          2HA       GLY  69  17.805 -12.741   8.674
  461    H    ASN  70           H        ASN  70  14.612 -11.338   7.895
  462    HA   ASN  70           HA       ASN  70  16.028  -9.148   6.546
  463   1HB   ASN  70          1HB       ASN  70  14.758 -11.049   5.134
  464   2HB   ASN  70          2HB       ASN  70  13.375  -9.989   5.483
  465   1HD2  ASN  70          1HD2      ASN  70  13.029  -8.443   4.074
  466   2HD2  ASN  70          2HD2      ASN  70  14.212  -7.730   3.022
  467    H    SER  71           H        SER  71  15.163  -7.117   6.812
  468    HA   SER  71           HA       SER  71  13.829  -6.649   9.225
  469   1HB   SER  71          1HB       SER  71  13.503  -4.344   7.643
  470   2HB   SER  71          2HB       SER  71  14.807  -4.679   8.808
  471    HG   SER  71           HG       SER  71  16.095  -5.413   7.186
  472    H    PHE  72           H        PHE  72  12.613  -6.593   5.892
  473    HA   PHE  72           HA       PHE  72   9.920  -6.874   6.986
  474   1HB   PHE  72          1HB       PHE  72   9.070  -5.010   6.082
  475   2HB   PHE  72          2HB       PHE  72  10.755  -4.469   5.998
  476    HD1  PHE  72           1HD      PHE  72   7.790  -5.140   4.177
  477    HD2  PHE  72           2HD      PHE  72  12.024  -4.941   3.806
  478    HE1  PHE  72           1HE      PHE  72   7.556  -4.871   1.748
  479    HE2  PHE  72           2HE      PHE  72  11.800  -4.670   1.372
  480    HZ   PHE  72           HZ       PHE  72   9.564  -4.632   0.342
  481    H    LEU  73           H        LEU  73   8.353  -7.614   5.261
  482    HA   LEU  73           HA       LEU  73   9.653  -9.892   4.004
  483   1HB   LEU  73          1HB       LEU  73   7.090 -10.459   3.641
  484   2HB   LEU  73          2HB       LEU  73   7.908 -10.728   5.199
  485    HG   LEU  73           HG       LEU  73   6.799  -8.064   5.093
  486   1HD1  LEU  73          1HD1      LEU  73   5.067 -10.308   4.191
  487   2HD1  LEU  73          2HD1      LEU  73   4.385  -9.090   5.268
  488   3HD1  LEU  73          3HD1      LEU  73   5.058  -8.610   3.709
  489   1HD2  LEU  73          1HD2      LEU  73   6.328  -8.531   7.243
  490   2HD2  LEU  73          2HD2      LEU  73   5.626 -10.103   6.859
  491   3HD2  LEU  73          3HD2      LEU  73   7.377  -9.924   6.974
  492    H    ILE  74           H        ILE  74   9.883 -10.155   1.882
  493    HA   ILE  74           HA       ILE  74   8.575  -8.242   0.084
  494    HB   ILE  74           HB       ILE  74  11.074  -9.887  -0.157
  495   1HG1  ILE  74          1HG1      ILE  74  11.419  -7.382  -1.307
  496   2HG1  ILE  74          2HG1      ILE  74  10.325  -7.082   0.065
  497   1HG2  ILE  74          1HG2      ILE  74  10.605  -8.534  -2.615
  498   2HG2  ILE  74          2HG2      ILE  74  10.842 -10.259  -2.331
  499   3HG2  ILE  74          3HG2      ILE  74   9.219  -9.571  -2.274
  500   1HD1  ILE  74          1HD1      ILE  74  12.675  -6.804   0.686
  501   2HD1  ILE  74          2HD1      ILE  74  11.920  -8.129   1.573
  502   3HD1  ILE  74          3HD1      ILE  74  12.997  -8.475   0.221
  503    H    ILE  75           H        ILE  75   7.037  -8.902  -1.299
  504    HA   ILE  75           HA       ILE  75   6.309 -11.736  -1.223
  505    HB   ILE  75           HB       ILE  75   4.301 -10.429  -2.617
  506   1HG1  ILE  75          1HG1      ILE  75   5.261  -8.694  -0.323
  507   2HG1  ILE  75          2HG1      ILE  75   5.206  -8.242  -2.044
  508   1HG2  ILE  75          1HG2      ILE  75   4.198 -10.766   0.353
  509   2HG2  ILE  75          2HG2      ILE  75   2.941 -11.070  -0.847
  510   3HG2  ILE  75          3HG2      ILE  75   4.315 -12.171  -0.709
  511   1HD1  ILE  75          1HD1      ILE  75   2.604  -8.991  -1.473
  512   2HD1  ILE  75          2HD1      ILE  75   3.125  -8.134  -0.022
  513   3HD1  ILE  75          3HD1      ILE  75   3.220  -7.343  -1.595
  514    H    ASN  76           H        ASN  76   5.818 -12.873  -3.146
  515    HA   ASN  76           HA       ASN  76   7.389 -11.948  -5.435
  516   1HB   ASN  76          1HB       ASN  76   6.185 -14.670  -4.824
  517   2HB   ASN  76          2HB       ASN  76   7.205 -14.288  -6.229
  518   1HD2  ASN  76          1HD2      ASN  76   7.124 -15.194  -2.955
  519   2HD2  ASN  76          2HD2      ASN  76   8.838 -15.160  -2.651
  520    H    ALA  77           H        ALA  77   4.323 -11.788  -4.348
  521    HA   ALA  77           HA       ALA  77   2.294 -11.322  -5.235
  522   1HB   ALA  77          1HB       ALA  77   2.512 -10.730  -7.864
  523   2HB   ALA  77          2HB       ALA  77   2.840  -9.584  -6.562
  524   3HB   ALA  77          3HB       ALA  77   4.169 -10.451  -7.330
  525    H    ALA  78           H        ALA  78   3.323 -14.028  -5.211
  526    HA   ALA  78           HA       ALA  78   2.597 -15.388  -7.601
  527   1HB   ALA  78          1HB       ALA  78   4.035 -16.627  -6.287
  528   2HB   ALA  78          2HB       ALA  78   3.180 -16.231  -4.795
  529   3HB   ALA  78          3HB       ALA  78   2.484 -17.389  -5.930
  530    H    ASN  79           H        ASN  79   0.941 -14.915  -4.496
  531    HA   ASN  79           HA       ASN  79  -1.607 -15.337  -5.914
  532   1HB   ASN  79          1HB       ASN  79  -1.259 -15.963  -2.979
  533   2HB   ASN  79          2HB       ASN  79  -2.542 -16.501  -4.085
  534   1HD2  ASN  79          1HD2      ASN  79   0.838 -16.931  -3.197
  535   2HD2  ASN  79          2HD2      ASN  79   0.994 -18.525  -3.862
  536    H    CYS  80           H        CYS  80  -2.149 -13.179  -6.173
  537    HA   CYS  80           HA       CYS  80  -2.562 -11.703  -3.684
  538   1HB   CYS  80          1HB       CYS  80  -0.359 -11.175  -5.230
  539   2HB   CYS  80          2HB       CYS  80  -1.535 -10.005  -5.851
  540    H    VAL  81           H        VAL  81  -4.321 -10.455  -3.632
  541    HA   VAL  81           HA       VAL  81  -5.869 -10.197  -6.128
  542    HB   VAL  81           HB       VAL  81  -7.362  -9.595  -3.702
  543   1HG1  VAL  81          1HG1      VAL  81  -7.799 -11.572  -5.934
  544   2HG1  VAL  81          2HG1      VAL  81  -9.003 -11.059  -4.753
  545   3HG1  VAL  81          3HG1      VAL  81  -8.354  -9.897  -5.911
  546   1HG2  VAL  81          1HG2      VAL  81  -7.345 -11.583  -2.572
  547   2HG2  VAL  81          2HG2      VAL  81  -6.841 -12.509  -3.986
  548   3HG2  VAL  81          3HG2      VAL  81  -5.665 -11.533  -3.107
  549    H    ALA  82           H        ALA  82  -6.187  -8.253  -6.893
  550    HA   ALA  82           HA       ALA  82  -6.297  -6.006  -7.155
  551   1HB   ALA  82          1HB       ALA  82  -6.962  -6.323  -4.304
  552   2HB   ALA  82          2HB       ALA  82  -6.411  -4.721  -4.793
  553   3HB   ALA  82          3HB       ALA  82  -7.809  -5.450  -5.583
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -7.447   7.945   8.963
    2   2H    ALA   1          2H        ALA   1  -8.870   7.030   8.874
    3   3H    ALA   1          3H        ALA   1  -8.610   8.292   7.775
    4    HA   ALA   1           HA       ALA   1  -7.447   7.032   6.402
    5   1HB   ALA   1          1HB       ALA   1  -5.401   6.326   6.989
    6   2HB   ALA   1          2HB       ALA   1  -5.762   7.029   8.566
    7   3HB   ALA   1          3HB       ALA   1  -6.026   5.308   8.285
    8    H    THR   2           H        THR   2  -7.082   4.583   5.864
    9    HA   THR   2           HA       THR   2  -9.604   3.271   6.389
   10    HB   THR   2           HB       THR   2  -7.397   1.972   4.849
   11    HG1  THR   2           1HG      THR   2  -8.581   3.325   3.051
   12   1HG2  THR   2          1HG2      THR   2  -9.720   0.990   5.278
   13   2HG2  THR   2          2HG2      THR   2  -9.140   0.998   3.614
   14   3HG2  THR   2          3HG2      THR   2 -10.310   2.207   4.145
   15    H    THR   3           H        THR   3  -9.830   2.161   8.216
   16    HA   THR   3           HA       THR   3  -7.597   0.936   9.546
   17    HB   THR   3           HB       THR   3 -10.394   0.269  10.327
   18    HG1  THR   3           1HG      THR   3 -10.812   2.382  10.077
   19   1HG2  THR   3          1HG2      THR   3  -9.528   0.375  12.528
   20   2HG2  THR   3          2HG2      THR   3  -8.106   1.277  12.006
   21   3HG2  THR   3          3HG2      THR   3  -8.283  -0.420  11.563
   22    H    ILE   4           H        ILE   4  -6.945  -1.113   9.408
   23    HA   ILE   4           HA       ILE   4  -8.249  -2.886   7.528
   24    HB   ILE   4           HB       ILE   4  -5.815  -3.368   9.258
   25   1HG1  ILE   4          1HG1      ILE   4  -5.654  -2.956   6.308
   26   2HG1  ILE   4          2HG1      ILE   4  -5.933  -1.523   7.327
   27   1HG2  ILE   4          1HG2      ILE   4  -5.762  -5.455   8.487
   28   2HG2  ILE   4          2HG2      ILE   4  -7.378  -5.191   7.833
   29   3HG2  ILE   4          3HG2      ILE   4  -5.961  -4.905   6.824
   30   1HD1  ILE   4          1HD1      ILE   4  -3.662  -1.488   7.303
   31   2HD1  ILE   4          2HD1      ILE   4  -3.880  -2.591   8.663
   32   3HD1  ILE   4          3HD1      ILE   4  -3.523  -3.229   7.056
   33    H    GLY   5           H        GLY   5 -10.070  -3.764   8.273
   34   1HA   GLY   5          1HA       GLY   5 -10.122  -4.781  11.027
   35   2HA   GLY   5          2HA       GLY   5 -11.535  -4.436  10.035
   36    HA   PRO   6           HA       PRO   6 -10.565  -9.005   9.884
   37   1HB   PRO   6          1HB       PRO   6 -12.933  -9.931  10.844
   38   2HB   PRO   6          2HB       PRO   6 -11.616  -9.351  11.915
   39   1HG   PRO   6          1HG       PRO   6 -14.024  -7.862  10.963
   40   2HG   PRO   6          2HG       PRO   6 -13.415  -8.036  12.642
   41   1HD   PRO   6          1HD       PRO   6 -12.914  -5.843  11.110
   42   2HD   PRO   6          2HD       PRO   6 -11.697  -6.492  12.251
   43    H    ASN   7           H        ASN   7 -12.904  -6.865   8.641
   44    HA   ASN   7           HA       ASN   7 -14.078  -8.813   6.828
   45   1HB   ASN   7          1HB       ASN   7 -14.814  -6.199   7.863
   46   2HB   ASN   7          2HB       ASN   7 -14.954  -6.251   6.092
   47   1HD2  ASN   7          1HD2      ASN   7 -16.376  -7.066   9.032
   48   2HD2  ASN   7          2HD2      ASN   7 -17.673  -8.042   8.425
   49    H    THR   8           H        THR   8 -11.405  -8.627   6.420
   50    HA   THR   8           HA       THR   8 -10.839  -6.690   4.352
   51    HB   THR   8           HB       THR   8  -8.791  -8.670   4.541
   52    HG1  THR   8           1HG      THR   8  -9.402  -7.565   7.090
   53   1HG2  THR   8          1HG2      THR   8  -7.483  -6.762   5.383
   54   2HG2  THR   8          2HG2      THR   8  -8.973  -5.843   5.599
   55   3HG2  THR   8          3HG2      THR   8  -8.455  -6.311   3.979
   56    H    CYS   9           H        CYS   9 -10.574 -10.261   4.500
   57    HA   CYS   9           HA       CYS   9 -11.946 -10.546   2.000
   58   1HB   CYS   9          1HB       CYS   9 -10.019 -11.721   0.879
   59   2HB   CYS   9          2HB       CYS   9  -9.853  -9.964   1.029
   60    H    SER  10           H        SER  10 -12.130 -12.839   1.360
   61    HA   SER  10           HA       SER  10 -11.681 -14.663   3.639
   62   1HB   SER  10          1HB       SER  10 -13.862 -15.213   1.664
   63   2HB   SER  10          2HB       SER  10 -13.776 -15.598   3.400
   64    HG   SER  10           HG       SER  10 -13.702 -12.954   3.151
   65    H    ILE  11           H        ILE  11 -13.009 -16.176   0.919
   66    HA   ILE  11           HA       ILE  11 -12.239 -17.814  -0.441
   67    HB   ILE  11           HB       ILE  11  -9.661 -16.468  -0.985
   68   1HG1  ILE  11          1HG1      ILE  11 -12.276 -15.177  -1.804
   69   2HG1  ILE  11          2HG1      ILE  11 -11.208 -14.561  -0.521
   70   1HG2  ILE  11          1HG2      ILE  11 -10.617 -16.767  -3.349
   71   2HG2  ILE  11          2HG2      ILE  11 -10.185 -18.212  -2.435
   72   3HG2  ILE  11          3HG2      ILE  11 -11.874 -17.720  -2.564
   73   1HD1  ILE  11          1HD1      ILE  11 -10.805 -13.307  -2.530
   74   2HD1  ILE  11          2HD1      ILE  11  -9.406 -14.339  -2.231
   75   3HD1  ILE  11          3HD1      ILE  11 -10.580 -14.785  -3.467
   76    H    ASP  12           H        ASP  12  -8.936 -17.255  -0.241
   77    HA   ASP  12           HA       ASP  12  -8.557 -19.729   1.278
   78   1HB   ASP  12          1HB       ASP  12  -7.453 -19.948  -0.757
   79   2HB   ASP  12          2HB       ASP  12  -7.042 -18.221  -0.833
   80    H    ASP  13           H        ASP  13  -6.286 -19.593   2.556
   81    HA   ASP  13           HA       ASP  13  -6.560 -17.597   4.567
   82   1HB   ASP  13          1HB       ASP  13  -5.604 -19.712   5.188
   83   2HB   ASP  13          2HB       ASP  13  -4.344 -19.567   3.944
   84    H    TYR  14           H        TYR  14  -6.613 -15.755   3.170
   85    HA   TYR  14           HA       TYR  14  -4.063 -14.900   2.031
   86   1HB   TYR  14          1HB       TYR  14  -6.932 -14.154   1.656
   87   2HB   TYR  14          2HB       TYR  14  -5.722 -12.885   1.404
   88    HD1  TYR  14           1HD      TYR  14  -3.789 -13.432  -0.215
   89    HD2  TYR  14           2HD      TYR  14  -7.409 -15.662  -0.072
   90    HE1  TYR  14           1HE      TYR  14  -3.326 -14.313  -2.458
   91    HE2  TYR  14           2HE      TYR  14  -6.961 -16.542  -2.323
   92    HH   TYR  14           HH       TYR  14  -5.345 -16.807  -3.901
   93    H    LYS  15           H        LYS  15  -2.964 -13.129   2.771
   94    HA   LYS  15           HA       LYS  15  -3.918 -12.031   5.324
   95   1HB   LYS  15          1HB       LYS  15  -1.299 -11.183   5.045
   96   2HB   LYS  15          2HB       LYS  15  -1.856 -12.563   6.022
   97   1HG   LYS  15          1HG       LYS  15  -1.606 -13.565   3.423
   98   2HG   LYS  15          2HG       LYS  15  -0.188 -12.515   3.656
   99   1HD   LYS  15          1HD       LYS  15   0.779 -14.093   4.894
  100   2HD   LYS  15          2HD       LYS  15  -0.572 -14.014   6.051
  101   1HE   LYS  15          1HE       LYS  15  -1.333 -15.473   3.661
  102   2HE   LYS  15          2HE       LYS  15   0.130 -16.168   4.389
  103   1HZ   LYS  15          1HZ       LYS  15  -2.337 -15.568   5.940
  104   2HZ   LYS  15          2HZ       LYS  15  -0.996 -16.471   6.443
  105   3HZ   LYS  15          3HZ       LYS  15  -2.022 -17.080   5.241
  106    HA   PRO  16           HA       PRO  16  -4.540  -8.190   3.169
  107   1HB   PRO  16          1HB       PRO  16  -4.815  -6.565   5.365
  108   2HB   PRO  16          2HB       PRO  16  -6.083  -7.702   4.802
  109   1HG   PRO  16          1HG       PRO  16  -4.093  -8.060   6.986
  110   2HG   PRO  16          2HG       PRO  16  -5.847  -8.436   6.990
  111   1HD   PRO  16          1HD       PRO  16  -3.898 -10.318   6.629
  112   2HD   PRO  16          2HD       PRO  16  -5.495 -10.424   5.829
  113    H    TYR  17           H        TYR  17  -3.083  -6.834   2.328
  114    HA   TYR  17           HA       TYR  17  -0.641  -6.284   3.884
  115   1HB   TYR  17          1HB       TYR  17  -1.048  -6.875   0.962
  116   2HB   TYR  17          2HB       TYR  17   0.335  -5.900   1.488
  117    HD1  TYR  17           1HD      TYR  17  -1.296  -9.038   2.751
  118    HD2  TYR  17           2HD      TYR  17   2.286  -7.125   1.504
  119    HE1  TYR  17           1HE      TYR  17  -0.047 -11.097   3.212
  120    HE2  TYR  17           2HE      TYR  17   3.552  -9.178   1.963
  121    HH   TYR  17           HH       TYR  17   3.441 -11.313   2.560
  122    H    CYS  18           H        CYS  18  -0.198  -4.206   4.257
  123    HA   CYS  18           HA       CYS  18  -1.836  -2.175   2.960
  124   1HB   CYS  18          1HB       CYS  18  -1.623  -1.948   5.350
  125   2HB   CYS  18          2HB       CYS  18   0.141  -2.076   5.255
  126    H    CYS  19           H        CYS  19  -1.157  -1.359   1.101
  127    HA   CYS  19           HA       CYS  19   1.615  -0.640   0.680
  128   1HB   CYS  19          1HB       CYS  19   0.665  -3.193  -0.136
  129   2HB   CYS  19          2HB       CYS  19   0.838  -2.210  -1.599
  130    H    GLN  20           H        GLN  20   1.900   0.591  -1.308
  131    HA   GLN  20           HA       GLN  20  -0.466   2.083  -1.998
  132   1HB   GLN  20          1HB       GLN  20   2.019   2.899  -1.754
  133   2HB   GLN  20          2HB       GLN  20   2.134   2.378  -3.452
  134   1HG   GLN  20          1HG       GLN  20   1.290   4.332  -4.073
  135   2HG   GLN  20          2HG       GLN  20  -0.225   3.914  -3.244
  136   1HE2  GLN  20          1HE2      GLN  20  -0.729   5.889  -2.459
  137   2HE2  GLN  20          2HE2      GLN  20   0.223   6.740  -1.291
  138    H    SER  21           H        SER  21  -1.871   1.253  -3.367
  139    HA   SER  21           HA       SER  21  -0.825  -0.057  -5.789
  140   1HB   SER  21          1HB       SER  21  -3.607  -0.534  -4.728
  141   2HB   SER  21          2HB       SER  21  -2.633  -1.554  -5.813
  142    HG   SER  21           HG       SER  21  -2.055  -1.042  -3.062
  143    H    MET  22           H        MET  22  -1.375   0.805  -7.694
  144    HA   MET  22           HA       MET  22  -2.946   3.259  -7.627
  145   1HB   MET  22          1HB       MET  22  -2.096   3.523  -9.989
  146   2HB   MET  22          2HB       MET  22  -0.846   3.509  -8.723
  147   1HG   MET  22          1HG       MET  22  -0.215   1.269  -9.263
  148   2HG   MET  22          2HG       MET  22  -1.607   1.070 -10.341
  149   1HE   MET  22          1HE       MET  22  -1.412   1.583 -12.995
  150   2HE   MET  22          2HE       MET  22  -2.006   3.032 -12.186
  151   3HE   MET  22          3HE       MET  22  -0.753   3.160 -13.423
  152    H    SER  23           H        SER  23  -4.041   3.499 -10.026
  153    HA   SER  23           HA       SER  23  -6.152   1.509  -9.929
  154   1HB   SER  23          1HB       SER  23  -6.431   3.588 -11.963
  155   2HB   SER  23          2HB       SER  23  -7.502   3.183 -10.600
  156    HG   SER  23           HG       SER  23  -5.235   4.904 -10.642
  157    H    GLY  24           H        GLY  24  -7.110   1.334 -12.424
  158   1HA   GLY  24          1HA       GLY  24  -5.573   1.160 -14.648
  159   2HA   GLY  24          2HA       GLY  24  -5.140  -0.298 -13.764
  160    HA   PRO  25           HA       PRO  25  -9.786  -0.097 -15.583
  161   1HB   PRO  25          1HB       PRO  25  -8.602  -0.181 -18.341
  162   2HB   PRO  25          2HB       PRO  25 -10.068   0.643 -17.717
  163   1HG   PRO  25          1HG       PRO  25  -7.844   1.983 -18.275
  164   2HG   PRO  25          2HG       PRO  25  -8.924   2.465 -16.926
  165   1HD   PRO  25          1HD       PRO  25  -6.249   1.084 -16.906
  166   2HD   PRO  25          2HD       PRO  25  -6.970   2.204 -15.709
  167    H    ALA  26           H        ALA  26 -10.383  -2.109 -15.170
  168    HA   ALA  26           HA       ALA  26  -8.766  -4.372 -15.947
  169   1HB   ALA  26          1HB       ALA  26 -10.360  -3.920 -13.813
  170   2HB   ALA  26          2HB       ALA  26 -11.447  -4.857 -14.836
  171   3HB   ALA  26          3HB       ALA  26  -9.886  -5.526 -14.367
  172    H    GLY  27           H        GLY  27 -11.315  -2.571 -17.275
  173   1HA   GLY  27          1HA       GLY  27 -12.530  -4.663 -18.813
  174   2HA   GLY  27          2HA       GLY  27 -12.751  -2.935 -19.045
  175    H    SER  28           H        SER  28 -10.038  -5.219 -19.312
  176    HA   SER  28           HA       SER  28  -9.587  -4.226 -22.049
  177   1HB   SER  28          1HB       SER  28  -7.330  -5.316 -20.389
  178   2HB   SER  28          2HB       SER  28  -7.278  -4.171 -21.751
  179    HG   SER  28           HG       SER  28  -8.600  -3.443 -19.370
  180    HA   PRO  29           HA       PRO  29 -10.439  -8.546 -22.769
  181   1HB   PRO  29          1HB       PRO  29 -10.296  -7.972 -25.624
  182   2HB   PRO  29          2HB       PRO  29 -11.727  -8.280 -24.587
  183   1HG   PRO  29          1HG       PRO  29 -11.130  -5.877 -25.743
  184   2HG   PRO  29          2HG       PRO  29 -12.198  -6.089 -24.317
  185   1HD   PRO  29          1HD       PRO  29  -9.328  -5.194 -24.509
  186   2HD   PRO  29          2HD       PRO  29 -10.615  -4.685 -23.374
  187    H    GLY  30           H        GLY  30  -8.202  -8.936 -21.953
  188   1HA   GLY  30          1HA       GLY  30  -6.465 -10.463 -22.428
  189   2HA   GLY  30          2HA       GLY  30  -6.613 -10.067 -24.133
  190    H    LEU  31           H        LEU  31  -4.777  -9.666 -21.395
  191    HA   LEU  31           HA       LEU  31  -3.627  -7.109 -22.152
  192   1HB   LEU  31          1HB       LEU  31  -3.223  -9.061 -19.916
  193   2HB   LEU  31          2HB       LEU  31  -1.934  -7.891 -20.287
  194    HG   LEU  31           HG       LEU  31  -4.170  -6.295 -20.163
  195   1HD1  LEU  31          1HD1      LEU  31  -5.554  -8.115 -19.349
  196   2HD1  LEU  31          2HD1      LEU  31  -4.413  -8.421 -18.039
  197   3HD1  LEU  31          3HD1      LEU  31  -5.318  -6.907 -18.087
  198   1HD2  LEU  31          1HD2      LEU  31  -1.726  -6.524 -18.920
  199   2HD2  LEU  31          2HD2      LEU  31  -2.907  -5.242 -18.655
  200   3HD2  LEU  31          3HD2      LEU  31  -2.869  -6.640 -17.582
  201    H    LEU  32           H        LEU  32  -3.063  -7.861 -24.304
  202    HA   LEU  32           HA       LEU  32  -1.224 -10.043 -24.623
  203   1HB   LEU  32          1HB       LEU  32  -2.689  -8.170 -26.399
  204   2HB   LEU  32          2HB       LEU  32  -1.194  -8.893 -27.041
  205    HG   LEU  32           HG       LEU  32  -2.496 -11.079 -26.024
  206   1HD1  LEU  32          1HD1      LEU  32  -4.629 -10.537 -25.655
  207   2HD1  LEU  32          2HD1      LEU  32  -4.474  -8.995 -26.494
  208   3HD1  LEU  32          3HD1      LEU  32  -4.786 -10.469 -27.410
  209   1HD2  LEU  32          1HD2      LEU  32  -1.373 -10.909 -28.179
  210   2HD2  LEU  32          2HD2      LEU  32  -2.976 -11.620 -28.356
  211   3HD2  LEU  32          3HD2      LEU  32  -2.702  -9.937 -28.807
  212    H    ASN  33           H        ASN  33   0.626  -9.489 -23.503
  213    HA   ASN  33           HA       ASN  33   2.094  -7.120 -24.368
  214   1HB   ASN  33          1HB       ASN  33   1.937  -7.752 -21.932
  215   2HB   ASN  33          2HB       ASN  33   2.922  -9.182 -22.310
  216   1HD2  ASN  33          1HD2      ASN  33   4.587  -8.503 -20.980
  217   2HD2  ASN  33          2HD2      ASN  33   5.640  -7.198 -21.396
  218    H    LEU  34           H        LEU  34   4.042  -7.196 -25.440
  219    HA   LEU  34           HA       LEU  34   4.490  -9.546 -27.045
  220   1HB   LEU  34          1HB       LEU  34   6.637  -7.784 -27.438
  221   2HB   LEU  34          2HB       LEU  34   5.202  -7.995 -28.469
  222    HG   LEU  34           HG       LEU  34   4.358  -6.265 -26.452
  223   1HD1  LEU  34          1HD1      LEU  34   5.954  -4.706 -26.001
  224   2HD1  LEU  34          2HD1      LEU  34   6.975  -6.141 -26.106
  225   3HD1  LEU  34          3HD1      LEU  34   6.858  -5.040 -27.478
  226   1HD2  LEU  34          1HD2      LEU  34   3.557  -5.891 -28.583
  227   2HD2  LEU  34          2HD2      LEU  34   4.698  -4.559 -28.385
  228   3HD2  LEU  34          3HD2      LEU  34   5.159  -5.985 -29.315
  229    H    ILE  35           H        ILE  35   6.938  -7.608 -25.353
  230    HA   ILE  35           HA       ILE  35   8.131 -10.125 -24.387
  231    HB   ILE  35           HB       ILE  35   9.628  -7.605 -25.150
  232   1HG1  ILE  35          1HG1      ILE  35  10.129 -10.071 -26.676
  233   2HG1  ILE  35          2HG1      ILE  35   8.498  -9.394 -26.899
  234   1HG2  ILE  35          1HG2      ILE  35  11.289  -9.896 -25.068
  235   2HG2  ILE  35          2HG2      ILE  35  11.336  -8.471 -24.032
  236   3HG2  ILE  35          3HG2      ILE  35  10.354  -9.863 -23.574
  237   1HD1  ILE  35          1HD1      ILE  35  11.046  -7.808 -27.243
  238   2HD1  ILE  35          2HD1      ILE  35  10.189  -8.608 -28.560
  239   3HD1  ILE  35          3HD1      ILE  35   9.404  -7.312 -27.660
  240    HA   PRO  36           HA       PRO  36   7.436  -7.881 -20.549
  241   1HB   PRO  36          1HB       PRO  36   7.612 -10.021 -18.885
  242   2HB   PRO  36          2HB       PRO  36   6.184  -9.720 -19.929
  243   1HG   PRO  36          1HG       PRO  36   8.460 -11.587 -20.369
  244   2HG   PRO  36          2HG       PRO  36   6.705 -11.876 -20.606
  245   1HD   PRO  36          1HD       PRO  36   8.497 -11.256 -22.625
  246   2HD   PRO  36          2HD       PRO  36   6.752 -10.864 -22.686
  247    H    VAL  37           H        VAL  37   9.046  -6.700 -19.761
  248    HA   VAL  37           HA       VAL  37  11.577  -8.059 -19.076
  249    HB   VAL  37           HB       VAL  37  12.074  -5.283 -19.199
  250   1HG1  VAL  37          1HG1      VAL  37  13.065  -6.625 -21.514
  251   2HG1  VAL  37          2HG1      VAL  37  13.931  -6.129 -20.061
  252   3HG1  VAL  37          3HG1      VAL  37  13.159  -7.712 -20.128
  253   1HG2  VAL  37          1HG2      VAL  37   9.982  -5.222 -20.611
  254   2HG2  VAL  37          2HG2      VAL  37  11.442  -4.595 -21.378
  255   3HG2  VAL  37          3HG2      VAL  37  10.852  -6.204 -21.791
  256    H    ASP  38           H        ASP  38   8.884  -7.108 -17.748
  257    HA   ASP  38           HA       ASP  38   9.878  -5.473 -15.588
  258   1HB   ASP  38          1HB       ASP  38   7.644  -4.997 -16.305
  259   2HB   ASP  38          2HB       ASP  38   7.176  -6.706 -16.160
  260    H    LEU  39           H        LEU  39  11.067  -6.375 -14.089
  261    HA   LEU  39           HA       LEU  39  10.051  -8.799 -12.795
  262   1HB   LEU  39          1HB       LEU  39  12.705  -8.401 -14.074
  263   2HB   LEU  39          2HB       LEU  39  12.691  -9.221 -12.494
  264    HG   LEU  39           HG       LEU  39  10.810 -10.216 -14.580
  265   1HD1  LEU  39          1HD1      LEU  39  12.330 -10.877 -16.057
  266   2HD1  LEU  39          2HD1      LEU  39  13.483  -9.824 -15.240
  267   3HD1  LEU  39          3HD1      LEU  39  13.372 -11.525 -14.791
  268   1HD2  LEU  39          1HD2      LEU  39  10.829 -12.101 -13.340
  269   2HD2  LEU  39          2HD2      LEU  39  12.556 -11.989 -13.003
  270   3HD2  LEU  39          3HD2      LEU  39  11.412 -11.015 -12.079
  271    H    SER  40           H        SER  40  10.279  -5.773 -12.363
  272    HA   SER  40           HA       SER  40  11.495  -5.935  -9.694
  273   1HB   SER  40          1HB       SER  40  11.752  -3.320 -11.033
  274   2HB   SER  40          2HB       SER  40  12.924  -4.218 -10.038
  275    HG   SER  40           HG       SER  40  13.133  -3.917 -12.548
  276    H    ALA  41           H        ALA  41   8.709  -5.312 -11.388
  277    HA   ALA  41           HA       ALA  41   7.798  -3.104  -9.747
  278   1HB   ALA  41          1HB       ALA  41   5.677  -4.437 -11.169
  279   2HB   ALA  41          2HB       ALA  41   6.292  -2.795 -11.351
  280   3HB   ALA  41          3HB       ALA  41   7.048  -4.123 -12.232
  281    H    SER  42           H        SER  42   8.493  -5.916  -8.710
  282    HA   SER  42           HA       SER  42   6.031  -6.841  -7.565
  283   1HB   SER  42          1HB       SER  42   8.395  -7.790  -6.194
  284   2HB   SER  42          2HB       SER  42   7.240  -8.696  -7.201
  285    HG   SER  42           HG       SER  42   9.407  -8.686  -8.054
  286    H    LEU  43           H        LEU  43   5.865  -7.074  -5.130
  287    HA   LEU  43           HA       LEU  43   6.768  -4.573  -3.872
  288   1HB   LEU  43          1HB       LEU  43   4.433  -5.152  -2.562
  289   2HB   LEU  43          2HB       LEU  43   4.612  -3.968  -3.879
  290    HG   LEU  43           HG       LEU  43   4.014  -6.797  -4.620
  291   1HD1  LEU  43          1HD1      LEU  43   2.497  -5.721  -2.648
  292   2HD1  LEU  43          2HD1      LEU  43   1.648  -5.146  -4.085
  293   3HD1  LEU  43          3HD1      LEU  43   1.907  -6.875  -3.848
  294   1HD2  LEU  43          1HD2      LEU  43   2.530  -5.490  -6.243
  295   2HD2  LEU  43          2HD2      LEU  43   3.383  -4.057  -5.669
  296   3HD2  LEU  43          3HD2      LEU  43   4.278  -5.364  -6.449
  297    H    GLY  44           H        GLY  44   6.317  -4.729  -1.393
  298   1HA   GLY  44          1HA       GLY  44   6.987  -7.446  -0.448
  299   2HA   GLY  44          2HA       GLY  44   7.798  -6.018   0.189
  300    H    CYS  45           H        CYS  45   6.150  -4.258   0.836
  301    HA   CYS  45           HA       CYS  45   4.458  -3.501   2.123
  302   1HB   CYS  45          1HB       CYS  45   2.946  -6.032   1.547
  303   2HB   CYS  45          2HB       CYS  45   2.312  -4.405   1.840
  304    H    VAL  46           H        VAL  46   2.862  -4.244   3.959
  305    HA   VAL  46           HA       VAL  46   4.225  -6.203   5.674
  306    HB   VAL  46           HB       VAL  46   3.349  -4.754   7.614
  307   1HG1  VAL  46          1HG1      VAL  46   5.742  -4.421   5.950
  308   2HG1  VAL  46          2HG1      VAL  46   5.391  -3.073   7.030
  309   3HG1  VAL  46          3HG1      VAL  46   5.589  -4.697   7.686
  310   1HG2  VAL  46          1HG2      VAL  46   3.644  -2.416   5.808
  311   2HG2  VAL  46          2HG2      VAL  46   2.111  -3.287   5.785
  312   3HG2  VAL  46          3HG2      VAL  46   2.707  -2.591   7.292
  313    H    VAL  47           H        VAL  47   2.885  -7.480   6.957
  314    HA   VAL  47           HA       VAL  47   0.248  -7.919   6.003
  315    HB   VAL  47           HB       VAL  47   1.563  -8.960   8.519
  316   1HG1  VAL  47          1HG1      VAL  47  -0.989  -9.719   7.123
  317   2HG1  VAL  47          2HG1      VAL  47  -0.162 -10.799   8.246
  318   3HG1  VAL  47          3HG1      VAL  47  -0.763  -9.239   8.805
  319   1HG2  VAL  47          1HG2      VAL  47   2.870  -9.930   6.937
  320   2HG2  VAL  47          2HG2      VAL  47   1.526 -11.071   6.894
  321   3HG2  VAL  47          3HG2      VAL  47   1.641  -9.796   5.681
  322    H    GLY  48           H        GLY  48  -1.529  -6.905   6.523
  323   1HA   GLY  48          1HA       GLY  48  -1.506  -4.800   8.475
  324   2HA   GLY  48          2HA       GLY  48  -2.855  -5.270   7.452
  325    H    VAL  49           H        VAL  49  -1.355  -5.587  10.519
  326    HA   VAL  49           HA       VAL  49  -2.918  -7.680  11.578
  327    HB   VAL  49           HB       VAL  49  -1.226  -5.510  12.700
  328   1HG1  VAL  49          1HG1      VAL  49  -2.935  -5.063  14.200
  329   2HG1  VAL  49          2HG1      VAL  49  -3.488  -6.739  14.229
  330   3HG1  VAL  49          3HG1      VAL  49  -1.992  -6.291  15.050
  331   1HG2  VAL  49          1HG2      VAL  49  -1.487  -8.476  13.147
  332   2HG2  VAL  49          2HG2      VAL  49  -0.221  -7.624  12.263
  333   3HG2  VAL  49          3HG2      VAL  49  -0.344  -7.449  14.014
  334    H    ILE  50           H        ILE  50  -5.017  -7.742  12.063
  335    HA   ILE  50           HA       ILE  50  -6.853  -5.783  11.451
  336    HB   ILE  50           HB       ILE  50  -7.096  -7.957  13.537
  337   1HG1  ILE  50          1HG1      ILE  50  -8.544  -8.094  10.962
  338   2HG1  ILE  50          2HG1      ILE  50  -6.772  -8.224  10.851
  339   1HG2  ILE  50          1HG2      ILE  50  -9.040  -7.067  14.132
  340   2HG2  ILE  50          2HG2      ILE  50  -8.858  -5.782  12.938
  341   3HG2  ILE  50          3HG2      ILE  50  -9.623  -7.306  12.484
  342   1HD1  ILE  50          1HD1      ILE  50  -7.715  -9.900  12.970
  343   2HD1  ILE  50          2HD1      ILE  50  -8.627 -10.247  11.502
  344   3HD1  ILE  50          3HD1      ILE  50  -6.866 -10.348  11.491
  345    H    GLY  51           H        GLY  51  -7.192  -3.847  12.229
  346   1HA   GLY  51          1HA       GLY  51  -7.888  -2.552  14.208
  347   2HA   GLY  51          2HA       GLY  51  -6.591  -3.351  15.082
  348    H    SER  52           H        SER  52  -5.001  -3.047  12.455
  349    HA   SER  52           HA       SER  52  -3.916  -0.433  13.125
  350   1HB   SER  52          1HB       SER  52  -2.849  -2.208  10.939
  351   2HB   SER  52          2HB       SER  52  -1.973  -1.067  11.987
  352    HG   SER  52           HG       SER  52  -3.025  -3.628  12.638
  353    H    GLN  53           H        GLN  53  -3.324   1.050  11.296
  354    HA   GLN  53           HA       GLN  53  -5.551   1.116   9.372
  355   1HB   GLN  53          1HB       GLN  53  -3.951   3.380  10.589
  356   2HB   GLN  53          2HB       GLN  53  -5.137   3.585   9.278
  357   1HG   GLN  53          1HG       GLN  53  -6.723   3.829  10.806
  358   2HG   GLN  53          2HG       GLN  53  -6.452   2.147  11.312
  359   1HE2  GLN  53          1HE2      GLN  53  -7.337   3.844  13.165
  360   2HE2  GLN  53          2HE2      GLN  53  -6.085   4.253  14.291
  361    H    CYS  54           H        CYS  54  -5.158   1.925   7.278
  362    HA   CYS  54           HA       CYS  54  -2.346   2.078   6.434
  363   1HB   CYS  54          1HB       CYS  54  -3.388  -0.146   5.830
  364   2HB   CYS  54          2HB       CYS  54  -4.556   0.743   4.840
  365    H    GLY  55           H        GLY  55  -1.925   3.727   5.002
  366   1HA   GLY  55          1HA       GLY  55  -4.195   5.538   4.512
  367   2HA   GLY  55          2HA       GLY  55  -2.503   6.011   4.553
  368    H    ALA  56           H        ALA  56  -2.400   3.249   2.931
  369    HA   ALA  56           HA       ALA  56  -2.621   4.592   0.336
  370   1HB   ALA  56          1HB       ALA  56  -1.140   2.057   1.021
  371   2HB   ALA  56          2HB       ALA  56  -1.077   2.939  -0.505
  372   3HB   ALA  56          3HB       ALA  56  -0.417   3.665   0.960
  373    H    SER  57           H        SER  57  -2.474   1.175   0.269
  374    HA   SER  57           HA       SER  57  -5.381   0.961  -0.064
  375   1HB   SER  57          1HB       SER  57  -3.751  -0.671  -1.922
  376   2HB   SER  57          2HB       SER  57  -5.281   0.195  -2.204
  377    HG   SER  57           HG       SER  57  -4.138   2.101  -2.457
  378    H    VAL  58           H        VAL  58  -6.261  -1.053   0.432
  379    HA   VAL  58           HA       VAL  58  -4.412  -2.886   1.815
  380    HB   VAL  58           HB       VAL  58  -7.387  -2.789   2.288
  381   1HG1  VAL  58          1HG1      VAL  58  -6.956  -4.490   3.650
  382   2HG1  VAL  58          2HG1      VAL  58  -5.251  -4.419   3.208
  383   3HG1  VAL  58          3HG1      VAL  58  -5.849  -3.478   4.576
  384   1HG2  VAL  58          1HG2      VAL  58  -5.245  -1.128   3.599
  385   2HG2  VAL  58          2HG2      VAL  58  -6.717  -0.575   2.804
  386   3HG2  VAL  58          3HG2      VAL  58  -6.815  -1.431   4.343
  387    H    LYS  59           H        LYS  59  -3.928  -4.472   0.469
  388    HA   LYS  59           HA       LYS  59  -6.121  -5.794  -0.998
  389   1HB   LYS  59          1HB       LYS  59  -3.887  -6.563  -2.370
  390   2HB   LYS  59          2HB       LYS  59  -4.953  -5.218  -2.845
  391   1HG   LYS  59          1HG       LYS  59  -3.319  -3.728  -2.563
  392   2HG   LYS  59          2HG       LYS  59  -2.961  -4.338  -0.929
  393   1HD   LYS  59          1HD       LYS  59  -0.963  -4.653  -2.130
  394   2HD   LYS  59          2HD       LYS  59  -1.730  -6.259  -2.107
  395   1HE   LYS  59          1HE       LYS  59  -1.280  -6.201  -4.323
  396   2HE   LYS  59          2HE       LYS  59  -2.793  -5.271  -4.385
  397   1HZ   LYS  59          1HZ       LYS  59  -1.532  -3.232  -4.353
  398   2HZ   LYS  59          2HZ       LYS  59  -0.973  -4.219  -5.621
  399   3HZ   LYS  59          3HZ       LYS  59  -0.075  -4.081  -4.194
  400    H    CYS  60           H        CYS  60  -5.777  -8.163  -1.300
  401    HA   CYS  60           HA       CYS  60  -4.429  -9.194   1.096
  402   1HB   CYS  60          1HB       CYS  60  -6.771 -10.210  -0.509
  403   2HB   CYS  60          2HB       CYS  60  -5.905 -11.243   0.641
  404    H    CYS  61           H        CYS  61  -2.628 -10.278   0.845
  405    HA   CYS  61           HA       CYS  61  -2.097 -11.473  -1.788
  406   1HB   CYS  61          1HB       CYS  61  -0.796  -9.266  -0.734
  407   2HB   CYS  61          2HB       CYS  61   0.285 -10.606  -0.321
  408    H    LYS  62           H        LYS  62  -0.851 -13.303  -1.831
  409    HA   LYS  62           HA       LYS  62  -0.005 -14.477   0.708
  410   1HB   LYS  62          1HB       LYS  62  -2.286 -15.345  -0.424
  411   2HB   LYS  62          2HB       LYS  62  -1.119 -16.319  -1.349
  412   1HG   LYS  62          1HG       LYS  62  -0.664 -16.315   1.558
  413   2HG   LYS  62          2HG       LYS  62  -2.216 -17.025   1.054
  414   1HD   LYS  62          1HD       LYS  62   0.017 -17.870  -0.639
  415   2HD   LYS  62          2HD       LYS  62   0.251 -18.300   1.072
  416   1HE   LYS  62          1HE       LYS  62  -1.924 -19.147  -0.830
  417   2HE   LYS  62          2HE       LYS  62  -0.893 -20.145   0.218
  418   1HZ   LYS  62          1HZ       LYS  62  -3.392 -18.781   0.814
  419   2HZ   LYS  62          2HZ       LYS  62  -2.197 -18.663   2.023
  420   3HZ   LYS  62          3HZ       LYS  62  -2.720 -20.182   1.498
  421    H    ASP  63           H        ASP  63   1.912 -15.394   0.601
  422    HA   ASP  63           HA       ASP  63   3.073 -16.241  -1.911
  423   1HB   ASP  63          1HB       ASP  63   3.479 -13.646  -1.290
  424   2HB   ASP  63          2HB       ASP  63   4.808 -14.384  -0.370
  425    H    ASP  64           H        ASP  64   5.658 -16.583  -1.177
  426    HA   ASP  64           HA       ASP  64   5.401 -18.423   1.109
  427   1HB   ASP  64          1HB       ASP  64   6.134 -19.142  -1.336
  428   2HB   ASP  64          2HB       ASP  64   7.717 -18.549  -0.788
  429    H    VAL  65           H        VAL  65   5.769 -15.689   1.560
  430    HA   VAL  65           HA       VAL  65   8.589 -15.506   2.328
  431    HB   VAL  65           HB       VAL  65   7.946 -13.615   1.042
  432   1HG1  VAL  65          1HG1      VAL  65   5.583 -13.438   2.884
  433   2HG1  VAL  65          2HG1      VAL  65   6.114 -12.070   1.904
  434   3HG1  VAL  65          3HG1      VAL  65   5.603 -13.567   1.125
  435   1HG2  VAL  65          1HG2      VAL  65   7.907 -11.831   3.088
  436   2HG2  VAL  65          2HG2      VAL  65   8.528 -13.270   3.897
  437   3HG2  VAL  65          3HG2      VAL  65   9.359 -12.627   2.480
  438    H    THR  66           H        THR  66   9.175 -15.670   4.336
  439    HA   THR  66           HA       THR  66   7.210 -15.137   6.453
  440    HB   THR  66           HB       THR  66   7.637 -17.594   6.157
  441    HG1  THR  66           1HG      THR  66   7.193 -17.619   8.218
  442   1HG2  THR  66          1HG2      THR  66  10.070 -17.220   5.548
  443   2HG2  THR  66          2HG2      THR  66   9.738 -18.543   6.672
  444   3HG2  THR  66          3HG2      THR  66  10.364 -17.006   7.275
  445    H    ASN  67           H        ASN  67   8.820 -15.260   8.637
  446    HA   ASN  67           HA       ASN  67  10.793 -13.170   8.022
  447   1HB   ASN  67          1HB       ASN  67   8.623 -12.556   9.274
  448   2HB   ASN  67          2HB       ASN  67   9.365 -13.392  10.655
  449   1HD2  ASN  67          1HD2      ASN  67   9.047 -11.149  11.460
  450   2HD2  ASN  67          2HD2      ASN  67  10.354 -10.031  11.260
  451    H    THR  68           H        THR  68  12.793 -13.542   8.592
  452    HA   THR  68           HA       THR  68  13.366 -15.472  10.737
  453    HB   THR  68           HB       THR  68  15.240 -14.471   8.571
  454    HG1  THR  68           1HG      THR  68  13.627 -15.799   7.653
  455   1HG2  THR  68          1HG2      THR  68  16.886 -15.553   9.621
  456   2HG2  THR  68          2HG2      THR  68  15.901 -17.005   9.797
  457   3HG2  THR  68          3HG2      THR  68  15.802 -15.721  11.002
  458    H    GLY  69           H        GLY  69  13.034 -12.270  10.105
  459   1HA   GLY  69          1HA       GLY  69  13.624 -10.774  12.032
  460   2HA   GLY  69          2HA       GLY  69  15.247 -11.440  11.877
  461    H    ASN  70           H        ASN  70  12.926 -10.382   9.417
  462    HA   ASN  70           HA       ASN  70  15.100  -8.893   8.129
  463   1HB   ASN  70          1HB       ASN  70  12.784 -10.420   7.218
  464   2HB   ASN  70          2HB       ASN  70  12.878  -8.822   6.447
  465   1HD2  ASN  70          1HD2      ASN  70  13.200 -10.203   4.524
  466   2HD2  ASN  70          2HD2      ASN  70  14.811 -10.695   4.136
  467    H    SER  71           H        SER  71  14.371  -6.868   6.942
  468    HA   SER  71           HA       SER  71  13.373  -4.967   8.747
  469   1HB   SER  71          1HB       SER  71  13.057  -4.131   5.996
  470   2HB   SER  71          2HB       SER  71  14.232  -3.573   7.211
  471    HG   SER  71           HG       SER  71  15.592  -4.549   5.892
  472    H    PHE  72           H        PHE  72  11.883  -6.744   6.095
  473    HA   PHE  72           HA       PHE  72   9.319  -6.685   7.255
  474   1HB   PHE  72          1HB       PHE  72   8.109  -5.190   5.938
  475   2HB   PHE  72          2HB       PHE  72   9.606  -4.305   6.274
  476    HD1  PHE  72           1HD      PHE  72  11.491  -5.313   4.309
  477    HD2  PHE  72           2HD      PHE  72   7.330  -4.531   3.900
  478    HE1  PHE  72           1HE      PHE  72  11.794  -4.961   1.893
  479    HE2  PHE  72           2HE      PHE  72   7.623  -4.193   1.490
  480    HZ   PHE  72           HZ       PHE  72   9.858  -4.402   0.478
  481    H    LEU  73           H        LEU  73   7.699  -7.267   5.143
  482    HA   LEU  73           HA       LEU  73   8.811  -9.822   4.335
  483   1HB   LEU  73          1HB       LEU  73   6.058  -8.716   3.771
  484   2HB   LEU  73          2HB       LEU  73   6.583 -10.415   3.680
  485    HG   LEU  73           HG       LEU  73   7.105  -9.593   6.316
  486   1HD1  LEU  73          1HD1      LEU  73   5.724  -7.697   6.216
  487   2HD1  LEU  73          2HD1      LEU  73   4.499  -8.534   5.264
  488   3HD1  LEU  73          3HD1      LEU  73   4.730  -8.947   6.964
  489   1HD2  LEU  73          1HD2      LEU  73   5.899 -11.449   6.824
  490   2HD2  LEU  73          2HD2      LEU  73   4.613 -11.065   5.677
  491   3HD2  LEU  73          3HD2      LEU  73   6.132 -11.752   5.101
  492    H    ILE  74           H        ILE  74   8.759 -10.585   2.155
  493    HA   ILE  74           HA       ILE  74   8.531  -8.516   0.083
  494    HB   ILE  74           HB       ILE  74  10.471 -10.454  -0.738
  495   1HG1  ILE  74          1HG1      ILE  74  10.695 -10.305   1.933
  496   2HG1  ILE  74          2HG1      ILE  74  12.094 -10.511   0.851
  497   1HG2  ILE  74          1HG2      ILE  74  11.053  -7.579  -0.160
  498   2HG2  ILE  74          2HG2      ILE  74  11.651  -8.598  -1.469
  499   3HG2  ILE  74          3HG2      ILE  74   9.978  -8.043  -1.477
  500   1HD1  ILE  74          1HD1      ILE  74  12.262  -8.769   2.722
  501   2HD1  ILE  74          2HD1      ILE  74  12.749  -8.279   1.099
  502   3HD1  ILE  74          3HD1      ILE  74  11.178  -7.788   1.736
  503    H    ILE  75           H        ILE  75   6.968  -9.112  -1.263
  504    HA   ILE  75           HA       ILE  75   6.364 -11.977  -1.528
  505    HB   ILE  75           HB       ILE  75   4.147 -11.101  -2.482
  506   1HG1  ILE  75          1HG1      ILE  75   5.185  -8.605  -1.117
  507   2HG1  ILE  75          2HG1      ILE  75   4.778  -8.791  -2.840
  508   1HG2  ILE  75          1HG2      ILE  75   5.033 -11.608   0.159
  509   2HG2  ILE  75          2HG2      ILE  75   3.875 -10.278   0.229
  510   3HG2  ILE  75          3HG2      ILE  75   3.412 -11.812  -0.511
  511   1HD1  ILE  75          1HD1      ILE  75   2.793  -7.927  -2.290
  512   2HD1  ILE  75          2HD1      ILE  75   2.439  -9.496  -1.565
  513   3HD1  ILE  75          3HD1      ILE  75   3.059  -8.182  -0.564
  514    H    ASN  76           H        ASN  76   5.831 -12.840  -3.560
  515    HA   ASN  76           HA       ASN  76   7.200 -11.525  -5.787
  516   1HB   ASN  76          1HB       ASN  76   6.059 -14.320  -5.478
  517   2HB   ASN  76          2HB       ASN  76   6.887 -13.722  -6.932
  518   1HD2  ASN  76          1HD2      ASN  76   7.237 -15.126  -3.864
  519   2HD2  ASN  76          2HD2      ASN  76   8.970 -15.132  -3.803
  520    H    ALA  77           H        ALA  77   4.241 -11.588  -4.453
  521    HA   ALA  77           HA       ALA  77   2.129 -11.095  -5.085
  522   1HB   ALA  77          1HB       ALA  77   3.326 -10.282  -7.735
  523   2HB   ALA  77          2HB       ALA  77   1.748  -9.818  -7.101
  524   3HB   ALA  77          3HB       ALA  77   3.218  -9.239  -6.317
  525    H    ALA  78           H        ALA  78   3.256 -13.731  -5.437
  526    HA   ALA  78           HA       ALA  78   2.395 -14.884  -7.878
  527   1HB   ALA  78          1HB       ALA  78   3.260 -16.804  -7.072
  528   2HB   ALA  78          2HB       ALA  78   3.963 -15.736  -5.857
  529   3HB   ALA  78          3HB       ALA  78   2.480 -16.622  -5.502
  530    H    ASN  79           H        ASN  79   0.896 -14.507  -4.704
  531    HA   ASN  79           HA       ASN  79  -1.687 -15.194  -5.951
  532   1HB   ASN  79          1HB       ASN  79  -1.172 -15.672  -3.022
  533   2HB   ASN  79          2HB       ASN  79  -2.416 -16.387  -4.070
  534   1HD2  ASN  79          1HD2      ASN  79   0.953 -16.467  -3.145
  535   2HD2  ASN  79          2HD2      ASN  79   1.289 -18.053  -3.766
  536    H    CYS  80           H        CYS  80  -1.835 -12.832  -6.298
  537    HA   CYS  80           HA       CYS  80  -2.590 -11.488  -3.780
  538   1HB   CYS  80          1HB       CYS  80  -0.624 -10.672  -5.581
  539   2HB   CYS  80          2HB       CYS  80  -2.020  -9.655  -5.975
  540    H    VAL  81           H        VAL  81  -4.606 -10.709  -3.632
  541    HA   VAL  81           HA       VAL  81  -6.209 -10.633  -6.101
  542    HB   VAL  81           HB       VAL  81  -8.174 -11.293  -4.554
  543   1HG1  VAL  81          1HG1      VAL  81  -6.591 -13.716  -4.818
  544   2HG1  VAL  81          2HG1      VAL  81  -8.090 -13.248  -5.620
  545   3HG1  VAL  81          3HG1      VAL  81  -6.540 -12.709  -6.264
  546   1HG2  VAL  81          1HG2      VAL  81  -5.841 -11.781  -2.821
  547   2HG2  VAL  81          2HG2      VAL  81  -7.518 -11.433  -2.401
  548   3HG2  VAL  81          3HG2      VAL  81  -7.048 -13.066  -2.872
  549    H    ALA  82           H        ALA  82  -7.830  -9.108  -6.216
  550    HA   ALA  82           HA       ALA  82  -8.235  -7.238  -4.036
  551   1HB   ALA  82          1HB       ALA  82  -6.463  -6.039  -4.944
  552   2HB   ALA  82          2HB       ALA  82  -6.857  -6.516  -6.596
  553   3HB   ALA  82          3HB       ALA  82  -7.857  -5.330  -5.760
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1 -10.161   6.988   6.835
    2   2H    ALA   1          2H        ALA   1 -10.560   5.720   7.893
    3   3H    ALA   1          3H        ALA   1 -11.213   5.756   6.330
    4    HA   ALA   1           HA       ALA   1  -8.972   5.522   5.401
    5   1HB   ALA   1          1HB       ALA   1  -8.131   4.935   8.235
    6   2HB   ALA   1          2HB       ALA   1  -7.111   5.017   6.800
    7   3HB   ALA   1          3HB       ALA   1  -7.853   6.484   7.436
    8    H    THR   2           H        THR   2  -7.836   3.281   5.404
    9    HA   THR   2           HA       THR   2  -9.929   1.285   5.600
   10    HB   THR   2           HB       THR   2  -7.337   0.234   4.881
   11    HG1  THR   2           1HG      THR   2  -8.259   2.319   3.173
   12   1HG2  THR   2          1HG2      THR   2  -8.512  -0.781   3.206
   13   2HG2  THR   2          2HG2      THR   2  -9.507   0.641   2.893
   14   3HG2  THR   2          3HG2      THR   2  -9.850  -0.388   4.285
   15    H    THR   3           H        THR   3 -10.244   0.740   7.710
   16    HA   THR   3           HA       THR   3  -7.974   0.125   9.406
   17    HB   THR   3           HB       THR   3 -10.756  -0.479  10.281
   18    HG1  THR   3           1HG      THR   3 -11.291   1.480   9.557
   19   1HG2  THR   3          1HG2      THR   3  -9.801  -0.424  12.301
   20   2HG2  THR   3          2HG2      THR   3  -9.099   1.165  11.995
   21   3HG2  THR   3          3HG2      THR   3  -8.250  -0.293  11.479
   22    H    ILE   4           H        ILE   4  -7.015  -1.759   9.161
   23    HA   ILE   4           HA       ILE   4  -8.244  -3.976   7.860
   24    HB   ILE   4           HB       ILE   4  -5.686  -4.011   9.465
   25   1HG1  ILE   4          1HG1      ILE   4  -5.491  -3.773   6.544
   26   2HG1  ILE   4          2HG1      ILE   4  -6.205  -2.347   7.336
   27   1HG2  ILE   4          1HG2      ILE   4  -5.330  -6.071   8.672
   28   2HG2  ILE   4          2HG2      ILE   4  -7.053  -6.076   8.291
   29   3HG2  ILE   4          3HG2      ILE   4  -5.879  -5.636   7.051
   30   1HD1  ILE   4          1HD1      ILE   4  -4.270  -1.934   8.576
   31   2HD1  ILE   4          2HD1      ILE   4  -3.628  -3.555   8.300
   32   3HD1  ILE   4          3HD1      ILE   4  -3.668  -2.384   6.979
   33    H    GLY   5           H        GLY   5  -9.554  -5.420   8.715
   34   1HA   GLY   5          1HA       GLY   5  -9.062  -6.377  11.434
   35   2HA   GLY   5          2HA       GLY   5 -10.645  -5.685  11.103
   36    HA   PRO   6           HA       PRO   6 -10.824 -10.255  10.292
   37   1HB   PRO   6          1HB       PRO   6 -13.359 -10.578  11.314
   38   2HB   PRO   6          2HB       PRO   6 -11.863 -10.588  12.303
   39   1HG   PRO   6          1HG       PRO   6 -13.755  -8.334  11.818
   40   2HG   PRO   6          2HG       PRO   6 -13.076  -8.908  13.376
   41   1HD   PRO   6          1HD       PRO   6 -12.073  -6.762  12.075
   42   2HD   PRO   6          2HD       PRO   6 -10.995  -7.921  12.910
   43    H    ASN   7           H        ASN   7 -12.868  -7.586   9.433
   44    HA   ASN   7           HA       ASN   7 -14.244  -9.192   7.400
   45   1HB   ASN   7          1HB       ASN   7 -15.575  -6.935   7.182
   46   2HB   ASN   7          2HB       ASN   7 -15.906  -8.047   8.528
   47   1HD2  ASN   7          1HD2      ASN   7 -15.647  -7.347  10.555
   48   2HD2  ASN   7          2HD2      ASN   7 -15.025  -5.790  10.995
   49    H    THR   8           H        THR   8 -11.471  -7.593   7.547
   50    HA   THR   8           HA       THR   8 -11.767  -6.066   5.084
   51    HB   THR   8           HB       THR   8  -9.226  -6.460   6.655
   52    HG1  THR   8           1HG      THR   8 -11.216  -4.433   6.999
   53   1HG2  THR   8          1HG2      THR   8  -9.595  -3.865   5.501
   54   2HG2  THR   8          2HG2      THR   8  -9.841  -5.097   4.262
   55   3HG2  THR   8          3HG2      THR   8  -8.335  -5.053   5.178
   56    H    CYS   9           H        CYS   9  -9.882  -8.826   6.309
   57    HA   CYS   9           HA       CYS   9  -9.542  -9.700   3.535
   58   1HB   CYS   9          1HB       CYS   9  -7.492  -8.487   4.450
   59   2HB   CYS   9          2HB       CYS   9  -7.307  -9.855   5.560
   60    H    SER  10           H        SER  10 -11.180 -11.218   3.973
   61    HA   SER  10           HA       SER  10 -10.347 -13.412   5.734
   62   1HB   SER  10          1HB       SER  10 -13.019 -13.688   4.614
   63   2HB   SER  10          2HB       SER  10 -12.506 -13.650   6.318
   64    HG   SER  10           HG       SER  10 -13.016 -11.592   6.425
   65    H    ILE  11           H        ILE  11 -12.591 -13.671   3.054
   66    HA   ILE  11           HA       ILE  11 -12.681 -15.016   1.240
   67    HB   ILE  11           HB       ILE  11  -9.715 -14.655   0.872
   68   1HG1  ILE  11          1HG1      ILE  11 -11.386 -12.605  -0.373
   69   2HG1  ILE  11          2HG1      ILE  11 -11.438 -12.543   1.405
   70   1HG2  ILE  11          1HG2      ILE  11 -11.006 -14.219  -1.519
   71   2HG2  ILE  11          2HG2      ILE  11 -10.264 -15.735  -1.009
   72   3HG2  ILE  11          3HG2      ILE  11 -11.990 -15.471  -0.760
   73   1HD1  ILE  11          1HD1      ILE  11  -9.301 -11.831   1.562
   74   2HD1  ILE  11          2HD1      ILE  11  -8.755 -12.819   0.209
   75   3HD1  ILE  11          3HD1      ILE  11  -9.578 -11.290  -0.094
   76    H    ASP  12           H        ASP  12  -9.443 -16.089   1.304
   77    HA   ASP  12           HA       ASP  12 -10.278 -18.687   2.363
   78   1HB   ASP  12          1HB       ASP  12  -9.024 -18.281   0.080
   79   2HB   ASP  12          2HB       ASP  12  -7.591 -18.183   1.126
   80    H    ASP  13           H        ASP  13  -6.981 -18.454   2.511
   81    HA   ASP  13           HA       ASP  13  -6.994 -17.144   5.148
   82   1HB   ASP  13          1HB       ASP  13  -6.424 -19.516   5.424
   83   2HB   ASP  13          2HB       ASP  13  -5.150 -19.362   4.194
   84    H    TYR  14           H        TYR  14  -6.870 -15.298   3.625
   85    HA   TYR  14           HA       TYR  14  -4.341 -15.006   2.225
   86   1HB   TYR  14          1HB       TYR  14  -7.018 -13.780   2.098
   87   2HB   TYR  14          2HB       TYR  14  -5.676 -12.652   1.841
   88    HD1  TYR  14           1HD      TYR  14  -3.905 -13.338   0.088
   89    HD2  TYR  14           2HD      TYR  14  -7.756 -15.134   0.340
   90    HE1  TYR  14           1HE      TYR  14  -3.684 -14.112  -2.231
   91    HE2  TYR  14           2HE      TYR  14  -7.544 -15.910  -1.987
   92    HH   TYR  14           HH       TYR  14  -5.810 -16.397  -3.623
   93    H    LYS  15           H        LYS  15  -2.942 -13.254   2.541
   94    HA   LYS  15           HA       LYS  15  -3.045 -12.154   5.258
   95   1HB   LYS  15          1HB       LYS  15  -0.645 -11.788   3.528
   96   2HB   LYS  15          2HB       LYS  15  -0.753 -12.041   5.286
   97   1HG   LYS  15          1HG       LYS  15  -1.088 -14.387   5.004
   98   2HG   LYS  15          2HG       LYS  15  -1.280 -14.208   3.244
   99   1HD   LYS  15          1HD       LYS  15   1.250 -13.210   4.480
  100   2HD   LYS  15          2HD       LYS  15   1.024 -14.971   4.356
  101   1HE   LYS  15          1HE       LYS  15   0.850 -14.894   2.004
  102   2HE   LYS  15          2HE       LYS  15   0.583 -13.138   1.996
  103   1HZ   LYS  15          1HZ       LYS  15   2.837 -12.766   2.599
  104   2HZ   LYS  15          2HZ       LYS  15   2.852 -13.857   1.298
  105   3HZ   LYS  15          3HZ       LYS  15   3.121 -14.417   2.881
  106    HA   PRO  16           HA       PRO  16  -4.120  -8.288   3.325
  107   1HB   PRO  16          1HB       PRO  16  -3.753  -7.035   5.951
  108   2HB   PRO  16          2HB       PRO  16  -5.259  -7.352   5.030
  109   1HG   PRO  16          1HG       PRO  16  -4.576  -8.627   7.332
  110   2HG   PRO  16          2HG       PRO  16  -5.700  -9.293   6.103
  111   1HD   PRO  16          1HD       PRO  16  -2.806  -9.922   6.665
  112   2HD   PRO  16          2HD       PRO  16  -4.124 -10.997   6.109
  113    H    TYR  17           H        TYR  17  -2.856  -6.790   2.385
  114    HA   TYR  17           HA       TYR  17  -0.288  -6.143   3.672
  115   1HB   TYR  17          1HB       TYR  17  -0.848  -6.935   0.827
  116   2HB   TYR  17          2HB       TYR  17   0.509  -5.858   1.197
  117    HD1  TYR  17           1HD      TYR  17  -0.825  -9.259   1.571
  118    HD2  TYR  17           2HD      TYR  17   2.459  -6.687   2.396
  119    HE1  TYR  17           1HE      TYR  17   0.550 -11.211   2.129
  120    HE2  TYR  17           2HE      TYR  17   3.850  -8.634   2.950
  121    HH   TYR  17           HH       TYR  17   3.999 -10.880   2.806
  122    H    CYS  18           H        CYS  18   0.091  -4.040   3.883
  123    HA   CYS  18           HA       CYS  18  -1.759  -2.190   2.573
  124   1HB   CYS  18          1HB       CYS  18  -0.137  -2.112   5.079
  125   2HB   CYS  18          2HB       CYS  18  -0.448  -0.578   4.249
  126    H    CYS  19           H        CYS  19  -1.063  -1.409   0.720
  127    HA   CYS  19           HA       CYS  19   1.797  -0.766   0.493
  128   1HB   CYS  19          1HB       CYS  19  -0.199  -1.572  -1.638
  129   2HB   CYS  19          2HB       CYS  19   1.411  -0.929  -2.000
  130    H    GLN  20           H        GLN  20   2.190   1.331   0.588
  131    HA   GLN  20           HA       GLN  20   0.012   3.198   0.317
  132   1HB   GLN  20          1HB       GLN  20   1.841   4.913   0.817
  133   2HB   GLN  20          2HB       GLN  20   1.437   3.739   2.093
  134   1HG   GLN  20          1HG       GLN  20   3.383   2.379   1.400
  135   2HG   GLN  20          2HG       GLN  20   3.806   3.637   0.218
  136   1HE2  GLN  20          1HE2      GLN  20   4.139   5.831   1.119
  137   2HE2  GLN  20          2HE2      GLN  20   4.906   5.963   2.674
  138    H    SER  21           H        SER  21  -0.588   4.034  -1.493
  139    HA   SER  21           HA       SER  21   1.393   4.481  -3.611
  140   1HB   SER  21          1HB       SER  21  -1.463   3.975  -4.337
  141   2HB   SER  21          2HB       SER  21   0.025   3.578  -5.231
  142    HG   SER  21           HG       SER  21  -0.322   2.272  -2.797
  143    H    MET  22           H        MET  22   1.206   6.383  -4.766
  144    HA   MET  22           HA       MET  22  -0.529   8.397  -3.506
  145   1HB   MET  22          1HB       MET  22   2.208   8.400  -4.511
  146   2HB   MET  22          2HB       MET  22   1.240   9.744  -5.162
  147   1HG   MET  22          1HG       MET  22   1.871  10.808  -3.291
  148   2HG   MET  22          2HG       MET  22   0.578   9.866  -2.529
  149   1HE   MET  22          1HE       MET  22   4.972   9.827  -1.744
  150   2HE   MET  22          2HE       MET  22   4.663   9.189  -3.360
  151   3HE   MET  22          3HE       MET  22   4.044  10.777  -2.907
  152    H    SER  23           H        SER  23  -2.359   7.829  -4.688
  153    HA   SER  23           HA       SER  23  -2.347   7.853  -7.559
  154   1HB   SER  23          1HB       SER  23  -4.850   8.003  -5.893
  155   2HB   SER  23          2HB       SER  23  -4.570   7.150  -7.430
  156    HG   SER  23           HG       SER  23  -3.094   5.765  -6.184
  157    H    GLY  24           H        GLY  24  -2.513   9.571  -8.808
  158   1HA   GLY  24          1HA       GLY  24  -2.969  12.172  -7.611
  159   2HA   GLY  24          2HA       GLY  24  -2.470  11.853  -9.266
  160    HA   PRO  25           HA       PRO  25  -7.136  12.776  -8.836
  161   1HB   PRO  25          1HB       PRO  25  -7.211  15.428  -9.478
  162   2HB   PRO  25          2HB       PRO  25  -6.952  14.827  -7.808
  163   1HG   PRO  25          1HG       PRO  25  -4.915  15.721  -9.798
  164   2HG   PRO  25          2HG       PRO  25  -5.077  16.196  -8.076
  165   1HD   PRO  25          1HD       PRO  25  -3.314  14.305  -8.929
  166   2HD   PRO  25          2HD       PRO  25  -4.161  14.164  -7.358
  167    H    ALA  26           H        ALA  26  -4.648  13.439 -11.088
  168    HA   ALA  26           HA       ALA  26  -6.332  12.679 -13.310
  169   1HB   ALA  26          1HB       ALA  26  -4.872  15.149 -13.926
  170   2HB   ALA  26          2HB       ALA  26  -6.493  14.641 -14.401
  171   3HB   ALA  26          3HB       ALA  26  -6.221  15.351 -12.810
  172    H    GLY  27           H        GLY  27  -5.123  11.124 -14.157
  173   1HA   GLY  27          1HA       GLY  27  -2.260  11.110 -13.980
  174   2HA   GLY  27          2HA       GLY  27  -3.260   9.949 -14.845
  175    H    SER  28           H        SER  28  -1.514  12.935 -15.033
  176    HA   SER  28           HA       SER  28  -2.203  13.880 -17.529
  177   1HB   SER  28          1HB       SER  28   0.673  13.999 -16.821
  178   2HB   SER  28          2HB       SER  28  -0.454  15.308 -17.249
  179    HG   SER  28           HG       SER  28  -0.796  15.628 -15.198
  180    HA   PRO  29           HA       PRO  29  -0.772  10.674 -20.254
  181   1HB   PRO  29          1HB       PRO  29  -1.162  12.564 -22.468
  182   2HB   PRO  29          2HB       PRO  29  -2.108  11.112 -22.007
  183   1HG   PRO  29          1HG       PRO  29  -3.031  13.649 -21.779
  184   2HG   PRO  29          2HG       PRO  29  -3.616  12.279 -20.780
  185   1HD   PRO  29          1HD       PRO  29  -1.676  14.499 -20.132
  186   2HD   PRO  29          2HD       PRO  29  -2.903  13.712 -19.094
  187    H    GLY  30           H        GLY  30   1.363  11.636 -19.060
  188   1HA   GLY  30          1HA       GLY  30   3.161  12.649 -21.157
  189   2HA   GLY  30          2HA       GLY  30   3.500  12.644 -19.430
  190    H    LEU  31           H        LEU  31   3.199  10.647 -22.291
  191    HA   LEU  31           HA       LEU  31   3.809   8.157 -21.233
  192   1HB   LEU  31          1HB       LEU  31   3.062   8.771 -23.599
  193   2HB   LEU  31          2HB       LEU  31   4.782   9.093 -23.927
  194    HG   LEU  31           HG       LEU  31   4.544   6.504 -22.737
  195   1HD1  LEU  31          1HD1      LEU  31   2.582   5.767 -23.482
  196   2HD1  LEU  31          2HD1      LEU  31   2.334   7.207 -24.473
  197   3HD1  LEU  31          3HD1      LEU  31   3.271   5.850 -25.105
  198   1HD2  LEU  31          1HD2      LEU  31   5.278   6.002 -25.251
  199   2HD2  LEU  31          2HD2      LEU  31   5.557   7.743 -25.228
  200   3HD2  LEU  31          3HD2      LEU  31   6.375   6.705 -24.060
  201    H    LEU  32           H        LEU  32   5.523   7.412 -20.236
  202    HA   LEU  32           HA       LEU  32   7.992   8.903 -20.209
  203   1HB   LEU  32          1HB       LEU  32   8.739   7.141 -18.614
  204   2HB   LEU  32          2HB       LEU  32   7.246   7.977 -18.122
  205    HG   LEU  32           HG       LEU  32   6.775   5.511 -19.646
  206   1HD1  LEU  32          1HD1      LEU  32   8.449   4.374 -18.636
  207   2HD1  LEU  32          2HD1      LEU  32   8.549   5.500 -17.281
  208   3HD1  LEU  32          3HD1      LEU  32   7.269   4.288 -17.328
  209   1HD2  LEU  32          1HD2      LEU  32   5.412   7.147 -17.866
  210   2HD2  LEU  32          2HD2      LEU  32   4.874   5.585 -18.485
  211   3HD2  LEU  32          3HD2      LEU  32   5.731   5.676 -16.947
  212    H    ASN  33           H        ASN  33   9.948   8.233 -21.032
  213    HA   ASN  33           HA       ASN  33   9.783   6.147 -23.087
  214   1HB   ASN  33          1HB       ASN  33  10.659   8.665 -23.362
  215   2HB   ASN  33          2HB       ASN  33  12.180   7.911 -22.839
  216   1HD2  ASN  33          1HD2      ASN  33  12.614   5.773 -24.029
  217   2HD2  ASN  33          2HD2      ASN  33  12.398   5.809 -25.752
  218    H    LEU  34           H        LEU  34  10.003   5.517 -20.291
  219    HA   LEU  34           HA       LEU  34  12.711   4.385 -20.170
  220   1HB   LEU  34          1HB       LEU  34  11.241   5.917 -18.274
  221   2HB   LEU  34          2HB       LEU  34  11.411   4.267 -17.630
  222    HG   LEU  34           HG       LEU  34  13.222   5.566 -16.791
  223   1HD1  LEU  34          1HD1      LEU  34  15.172   4.493 -18.265
  224   2HD1  LEU  34          2HD1      LEU  34  14.204   3.562 -17.123
  225   3HD1  LEU  34          3HD1      LEU  34  13.811   3.527 -18.841
  226   1HD2  LEU  34          1HD2      LEU  34  12.961   7.190 -18.865
  227   2HD2  LEU  34          2HD2      LEU  34  14.456   7.097 -17.933
  228   3HD2  LEU  34          3HD2      LEU  34  14.317   6.233 -19.465
  229    H    ILE  35           H        ILE  35  12.958   2.254 -19.722
  230    HA   ILE  35           HA       ILE  35  10.498   0.633 -19.676
  231    HB   ILE  35           HB       ILE  35  12.349  -1.119 -20.606
  232   1HG1  ILE  35          1HG1      ILE  35  13.198   0.566 -22.614
  233   2HG1  ILE  35          2HG1      ILE  35  13.360   1.582 -21.162
  234   1HG2  ILE  35          1HG2      ILE  35  11.318   0.162 -22.898
  235   2HG2  ILE  35          2HG2      ILE  35  10.701  -1.272 -22.080
  236   3HG2  ILE  35          3HG2      ILE  35  10.112   0.325 -21.624
  237   1HD1  ILE  35          1HD1      ILE  35  15.050   0.331 -20.319
  238   2HD1  ILE  35          2HD1      ILE  35  14.419  -1.176 -20.984
  239   3HD1  ILE  35          3HD1      ILE  35  15.293  -0.052 -22.024
  240    HA   PRO  36           HA       PRO  36  11.989  -0.987 -15.831
  241   1HB   PRO  36          1HB       PRO  36  10.522  -3.492 -16.394
  242   2HB   PRO  36          2HB       PRO  36  10.223  -2.221 -15.164
  243   1HG   PRO  36          1HG       PRO  36   8.621  -2.617 -17.293
  244   2HG   PRO  36          2HG       PRO  36   8.815  -1.023 -16.492
  245   1HD   PRO  36          1HD       PRO  36   9.997  -2.092 -19.057
  246   2HD   PRO  36          2HD       PRO  36   9.433  -0.441 -18.658
  247    H    VAL  37           H        VAL  37  13.968  -1.768 -15.503
  248    HA   VAL  37           HA       VAL  37  14.891  -4.005 -17.178
  249    HB   VAL  37           HB       VAL  37  17.002  -2.637 -15.705
  250   1HG1  VAL  37          1HG1      VAL  37  16.949  -2.627 -18.650
  251   2HG1  VAL  37          2HG1      VAL  37  18.211  -3.150 -17.533
  252   3HG1  VAL  37          3HG1      VAL  37  16.847  -4.212 -17.881
  253   1HG2  VAL  37          1HG2      VAL  37  15.473  -0.710 -16.068
  254   2HG2  VAL  37          2HG2      VAL  37  17.019  -0.558 -16.903
  255   3HG2  VAL  37          3HG2      VAL  37  15.571  -1.011 -17.801
  256    H    ASP  38           H        ASP  38  13.709  -3.376 -14.203
  257    HA   ASP  38           HA       ASP  38  15.549  -4.890 -12.593
  258   1HB   ASP  38          1HB       ASP  38  13.969  -2.975 -11.839
  259   2HB   ASP  38          2HB       ASP  38  12.711  -4.230 -11.814
  260    H    LEU  39           H        LEU  39  15.704  -7.007 -12.819
  261    HA   LEU  39           HA       LEU  39  13.439  -8.540 -13.811
  262   1HB   LEU  39          1HB       LEU  39  16.352  -8.890 -13.643
  263   2HB   LEU  39          2HB       LEU  39  15.418 -10.369 -13.317
  264    HG   LEU  39           HG       LEU  39  14.211  -9.417 -15.588
  265   1HD1  LEU  39          1HD1      LEU  39  16.088  -8.926 -17.142
  266   2HD1  LEU  39          2HD1      LEU  39  15.790  -7.660 -15.950
  267   3HD1  LEU  39          3HD1      LEU  39  17.147  -8.766 -15.740
  268   1HD2  LEU  39          1HD2      LEU  39  14.758 -11.708 -15.290
  269   2HD2  LEU  39          2HD2      LEU  39  15.595 -11.164 -16.745
  270   3HD2  LEU  39          3HD2      LEU  39  16.486 -11.355 -15.235
  271    H    SER  40           H        SER  40  14.490  -7.523 -10.862
  272    HA   SER  40           HA       SER  40  13.262  -9.834  -9.511
  273   1HB   SER  40          1HB       SER  40  14.764  -8.282  -7.648
  274   2HB   SER  40          2HB       SER  40  15.085  -9.943  -8.201
  275    HG   SER  40           HG       SER  40  16.269  -7.542  -8.953
  276    H    ALA  41           H        ALA  41  11.811  -7.742 -10.657
  277    HA   ALA  41           HA       ALA  41  11.199  -5.742  -8.690
  278   1HB   ALA  41          1HB       ALA  41  11.099  -5.473 -11.227
  279   2HB   ALA  41          2HB       ALA  41   9.560  -6.329 -11.139
  280   3HB   ALA  41          3HB       ALA  41   9.767  -4.797 -10.289
  281    H    SER  42           H        SER  42  10.649  -7.241  -6.964
  282    HA   SER  42           HA       SER  42   8.038  -8.513  -7.175
  283   1HB   SER  42          1HB       SER  42   8.833  -8.713  -4.532
  284   2HB   SER  42          2HB       SER  42   9.106  -9.936  -5.796
  285    HG   SER  42           HG       SER  42  11.163  -9.506  -5.687
  286    H    LEU  43           H        LEU  43   7.190  -8.120  -4.500
  287    HA   LEU  43           HA       LEU  43   6.454  -5.278  -4.627
  288   1HB   LEU  43          1HB       LEU  43   4.953  -7.720  -4.196
  289   2HB   LEU  43          2HB       LEU  43   4.711  -6.563  -2.864
  290    HG   LEU  43           HG       LEU  43   3.048  -6.470  -4.775
  291   1HD1  LEU  43          1HD1      LEU  43   3.189  -4.675  -3.191
  292   2HD1  LEU  43          2HD1      LEU  43   4.609  -4.012  -4.002
  293   3HD1  LEU  43          3HD1      LEU  43   3.040  -3.984  -4.808
  294   1HD2  LEU  43          1HD2      LEU  43   5.387  -6.340  -6.298
  295   2HD2  LEU  43          2HD2      LEU  43   3.723  -6.153  -6.865
  296   3HD2  LEU  43          3HD2      LEU  43   4.662  -4.732  -6.400
  297    H    GLY  44           H        GLY  44   7.886  -4.238  -3.347
  298   1HA   GLY  44          1HA       GLY  44   8.636  -5.262  -0.752
  299   2HA   GLY  44          2HA       GLY  44   9.044  -3.682  -1.417
  300    H    CYS  45           H        CYS  45   6.551  -5.559   0.177
  301    HA   CYS  45           HA       CYS  45   5.423  -3.082   1.232
  302   1HB   CYS  45          1HB       CYS  45   4.035  -5.177  -0.358
  303   2HB   CYS  45          2HB       CYS  45   3.155  -4.477   1.011
  304    H    VAL  46           H        VAL  46   3.861  -3.592   3.092
  305    HA   VAL  46           HA       VAL  46   5.037  -5.787   4.669
  306    HB   VAL  46           HB       VAL  46   4.452  -4.324   6.685
  307   1HG1  VAL  46          1HG1      VAL  46   6.749  -4.692   5.378
  308   2HG1  VAL  46          2HG1      VAL  46   6.583  -2.950   5.167
  309   3HG1  VAL  46          3HG1      VAL  46   6.610  -3.643   6.788
  310   1HG2  VAL  46          1HG2      VAL  46   3.132  -2.592   5.952
  311   2HG2  VAL  46          2HG2      VAL  46   4.715  -1.814   5.959
  312   3HG2  VAL  46          3HG2      VAL  46   4.026  -2.402   4.445
  313    H    VAL  47           H        VAL  47   3.666  -6.679   6.328
  314    HA   VAL  47           HA       VAL  47   1.073  -7.252   5.305
  315    HB   VAL  47           HB       VAL  47   1.049  -8.180   7.912
  316   1HG1  VAL  47          1HG1      VAL  47   0.466  -9.316   5.736
  317   2HG1  VAL  47          2HG1      VAL  47   2.178  -9.705   5.581
  318   3HG1  VAL  47          3HG1      VAL  47   1.255 -10.325   6.948
  319   1HG2  VAL  47          1HG2      VAL  47   3.134  -8.116   8.694
  320   2HG2  VAL  47          2HG2      VAL  47   3.514  -9.359   7.502
  321   3HG2  VAL  47          3HG2      VAL  47   3.791  -7.657   7.123
  322    H    GLY  48           H        GLY  48  -0.917  -6.711   6.055
  323   1HA   GLY  48          1HA       GLY  48  -1.072  -4.204   7.505
  324   2HA   GLY  48          2HA       GLY  48  -2.403  -5.052   6.724
  325    H    VAL  49           H        VAL  49  -0.885  -4.346   9.639
  326    HA   VAL  49           HA       VAL  49  -1.730  -6.596  11.164
  327    HB   VAL  49           HB       VAL  49  -1.463  -4.717  13.065
  328   1HG1  VAL  49          1HG1      VAL  49  -0.161  -6.749  12.904
  329   2HG1  VAL  49          2HG1      VAL  49   0.792  -6.064  11.586
  330   3HG1  VAL  49          3HG1      VAL  49   0.900  -5.373  13.206
  331   1HG2  VAL  49          1HG2      VAL  49  -0.841  -3.282  10.750
  332   2HG2  VAL  49          2HG2      VAL  49  -0.559  -2.794  12.421
  333   3HG2  VAL  49          3HG2      VAL  49   0.708  -3.627  11.516
  334    H    ILE  50           H        ILE  50  -3.600  -6.959  12.242
  335    HA   ILE  50           HA       ILE  50  -5.887  -5.458  11.445
  336    HB   ILE  50           HB       ILE  50  -7.152  -6.960  12.996
  337   1HG1  ILE  50          1HG1      ILE  50  -4.856  -8.780  13.295
  338   2HG1  ILE  50          2HG1      ILE  50  -4.746  -7.289  14.261
  339   1HG2  ILE  50          1HG2      ILE  50  -5.511  -8.814  11.396
  340   2HG2  ILE  50          2HG2      ILE  50  -7.255  -8.546  11.390
  341   3HG2  ILE  50          3HG2      ILE  50  -6.189  -7.439  10.525
  342   1HD1  ILE  50          1HD1      ILE  50  -6.074  -9.600  14.972
  343   2HD1  ILE  50          2HD1      ILE  50  -6.287  -8.011  15.707
  344   3HD1  ILE  50          3HD1      ILE  50  -7.370  -8.539  14.422
  345    H    GLY  51           H        GLY  51  -7.169  -4.090  12.584
  346   1HA   GLY  51          1HA       GLY  51  -7.856  -2.850  14.465
  347   2HA   GLY  51          2HA       GLY  51  -6.420  -3.395  15.323
  348    H    SER  52           H        SER  52  -5.004  -2.685  12.650
  349    HA   SER  52           HA       SER  52  -4.509   0.098  13.382
  350   1HB   SER  52          1HB       SER  52  -2.938  -1.591  11.422
  351   2HB   SER  52          2HB       SER  52  -2.414  -0.110  12.261
  352    HG   SER  52           HG       SER  52  -3.108  -1.773  14.166
  353    H    GLN  53           H        GLN  53  -4.242   1.684  11.613
  354    HA   GLN  53           HA       GLN  53  -6.197   1.121   9.479
  355   1HB   GLN  53          1HB       GLN  53  -6.587   3.647   9.537
  356   2HB   GLN  53          2HB       GLN  53  -7.236   2.686  10.887
  357   1HG   GLN  53          1HG       GLN  53  -5.172   3.296  12.188
  358   2HG   GLN  53          2HG       GLN  53  -4.752   4.413  10.872
  359   1HE2  GLN  53          1HE2      GLN  53  -6.489   3.990  13.729
  360   2HE2  GLN  53          2HE2      GLN  53  -7.378   5.473  13.705
  361    H    CYS  54           H        CYS  54  -5.697   1.597   7.430
  362    HA   CYS  54           HA       CYS  54  -3.076   2.848   6.927
  363   1HB   CYS  54          1HB       CYS  54  -4.569   0.650   5.512
  364   2HB   CYS  54          2HB       CYS  54  -3.336   1.601   4.667
  365    H    GLY  55           H        GLY  55  -2.914   4.288   5.151
  366   1HA   GLY  55          1HA       GLY  55  -5.519   5.340   4.215
  367   2HA   GLY  55          2HA       GLY  55  -4.136   6.367   4.573
  368    H    ALA  56           H        ALA  56  -4.503   3.336   2.761
  369    HA   ALA  56           HA       ALA  56  -3.692   4.631   0.304
  370   1HB   ALA  56          1HB       ALA  56  -1.823   3.127   1.988
  371   2HB   ALA  56          2HB       ALA  56  -1.856   2.618   0.300
  372   3HB   ALA  56          3HB       ALA  56  -1.506   4.297   0.708
  373    H    SER  57           H        SER  57  -2.655   1.752  -0.371
  374    HA   SER  57           HA       SER  57  -5.321   0.683  -0.965
  375   1HB   SER  57          1HB       SER  57  -2.778  -0.173  -2.339
  376   2HB   SER  57          2HB       SER  57  -4.456  -0.292  -2.923
  377    HG   SER  57           HG       SER  57  -4.392   2.122  -2.825
  378    H    VAL  58           H        VAL  58  -5.951  -1.056   0.096
  379    HA   VAL  58           HA       VAL  58  -3.905  -2.770   1.337
  380    HB   VAL  58           HB       VAL  58  -6.832  -2.627   2.085
  381   1HG1  VAL  58          1HG1      VAL  58  -6.303  -3.956   3.934
  382   2HG1  VAL  58          2HG1      VAL  58  -5.421  -4.699   2.599
  383   3HG1  VAL  58          3HG1      VAL  58  -4.571  -3.676   3.756
  384   1HG2  VAL  58          1HG2      VAL  58  -5.770  -1.485   4.177
  385   2HG2  VAL  58          2HG2      VAL  58  -4.482  -1.057   3.050
  386   3HG2  VAL  58          3HG2      VAL  58  -6.139  -0.531   2.740
  387    H    LYS  59           H        LYS  59  -3.579  -4.631   0.369
  388    HA   LYS  59           HA       LYS  59  -5.810  -5.861  -1.108
  389   1HB   LYS  59          1HB       LYS  59  -4.192  -6.742  -2.730
  390   2HB   LYS  59          2HB       LYS  59  -4.192  -4.963  -2.695
  391   1HG   LYS  59          1HG       LYS  59  -2.220  -5.347  -0.969
  392   2HG   LYS  59          2HG       LYS  59  -2.089  -6.900  -1.830
  393   1HD   LYS  59          1HD       LYS  59  -2.291  -4.338  -3.387
  394   2HD   LYS  59          2HD       LYS  59  -0.737  -4.813  -2.660
  395   1HE   LYS  59          1HE       LYS  59  -0.561  -6.733  -3.973
  396   2HE   LYS  59          2HE       LYS  59  -2.304  -6.780  -4.316
  397   1HZ   LYS  59          1HZ       LYS  59  -2.103  -5.311  -6.004
  398   2HZ   LYS  59          2HZ       LYS  59  -0.521  -5.915  -6.066
  399   3HZ   LYS  59          3HZ       LYS  59  -0.835  -4.440  -5.284
  400    H    CYS  60           H        CYS  60  -5.556  -8.223  -1.374
  401    HA   CYS  60           HA       CYS  60  -4.259  -9.385   0.998
  402   1HB   CYS  60          1HB       CYS  60  -6.670 -10.315  -0.578
  403   2HB   CYS  60          2HB       CYS  60  -5.894 -11.269   0.698
  404    H    CYS  61           H        CYS  61  -2.584 -10.692   0.644
  405    HA   CYS  61           HA       CYS  61  -2.395 -11.999  -1.978
  406   1HB   CYS  61          1HB       CYS  61  -0.204 -10.426  -0.608
  407   2HB   CYS  61          2HB       CYS  61   0.066 -11.505  -1.987
  408    H    LYS  62           H        LYS  62  -1.348 -13.952  -2.036
  409    HA   LYS  62           HA       LYS  62  -0.311 -15.005   0.501
  410   1HB   LYS  62          1HB       LYS  62  -2.652 -15.867  -0.180
  411   2HB   LYS  62          2HB       LYS  62  -1.790 -16.750  -1.463
  412   1HG   LYS  62          1HG       LYS  62  -1.911 -18.338   0.210
  413   2HG   LYS  62          2HG       LYS  62  -0.310 -17.621   0.507
  414   1HD   LYS  62          1HD       LYS  62  -1.641 -16.007   2.090
  415   2HD   LYS  62          2HD       LYS  62  -2.871 -17.293   2.049
  416   1HE   LYS  62          1HE       LYS  62  -0.197 -18.365   2.489
  417   2HE   LYS  62          2HE       LYS  62  -0.632 -17.157   3.717
  418   1HZ   LYS  62          1HZ       LYS  62  -2.484 -18.406   4.381
  419   2HZ   LYS  62          2HZ       LYS  62  -1.262 -19.558   4.166
  420   3HZ   LYS  62          3HZ       LYS  62  -2.464 -19.378   2.990
  421    H    ASP  63           H        ASP  63   1.463 -16.225   0.357
  422    HA   ASP  63           HA       ASP  63   2.593 -17.476  -1.836
  423   1HB   ASP  63          1HB       ASP  63   4.556 -15.798  -2.145
  424   2HB   ASP  63          2HB       ASP  63   3.035 -15.505  -3.015
  425    H    ASP  64           H        ASP  64   5.197 -17.498  -1.388
  426    HA   ASP  64           HA       ASP  64   5.378 -18.271   1.421
  427   1HB   ASP  64          1HB       ASP  64   6.209 -20.022   0.136
  428   2HB   ASP  64          2HB       ASP  64   6.981 -18.926  -1.031
  429    H    VAL  65           H        VAL  65   6.056 -16.823   2.806
  430    HA   VAL  65           HA       VAL  65   8.403 -15.201   2.068
  431    HB   VAL  65           HB       VAL  65   6.538 -14.300   4.218
  432   1HG1  VAL  65          1HG1      VAL  65   8.957 -13.427   3.506
  433   2HG1  VAL  65          2HG1      VAL  65   7.973 -12.447   2.416
  434   3HG1  VAL  65          3HG1      VAL  65   7.711 -12.360   4.159
  435   1HG2  VAL  65          1HG2      VAL  65   6.164 -12.972   1.635
  436   2HG2  VAL  65          2HG2      VAL  65   5.568 -14.632   1.689
  437   3HG2  VAL  65          3HG2      VAL  65   4.974 -13.442   2.848
  438    H    THR  66           H        THR  66   9.862 -16.588   2.897
  439    HA   THR  66           HA       THR  66   9.603 -17.413   5.690
  440    HB   THR  66           HB       THR  66  12.038 -18.358   4.547
  441    HG1  THR  66           1HG      THR  66   9.728 -18.870   2.926
  442   1HG2  THR  66          1HG2      THR  66  10.425 -20.527   4.616
  443   2HG2  THR  66          2HG2      THR  66   9.530 -19.430   5.670
  444   3HG2  THR  66          3HG2      THR  66  11.204 -19.841   6.041
  445    H    ASN  67           H        ASN  67  11.036 -16.790   7.268
  446    HA   ASN  67           HA       ASN  67  12.319 -14.256   6.819
  447   1HB   ASN  67          1HB       ASN  67  11.092 -14.774   8.905
  448   2HB   ASN  67          2HB       ASN  67  12.305 -16.015   9.287
  449   1HD2  ASN  67          1HD2      ASN  67  12.823 -14.967  11.213
  450   2HD2  ASN  67          2HD2      ASN  67  13.771 -13.517  11.241
  451    H    THR  68           H        THR  68  13.953 -14.696   5.399
  452    HA   THR  68           HA       THR  68  16.396 -15.642   6.661
  453    HB   THR  68           HB       THR  68  16.475 -16.580   3.963
  454    HG1  THR  68           1HG      THR  68  14.473 -17.244   3.745
  455   1HG2  THR  68          1HG2      THR  68  17.819 -17.341   5.925
  456   2HG2  THR  68          2HG2      THR  68  17.095 -18.658   5.001
  457   3HG2  THR  68          3HG2      THR  68  16.381 -18.161   6.535
  458    H    GLY  69           H        GLY  69  16.616 -13.311   6.652
  459   1HA   GLY  69          1HA       GLY  69  18.252 -11.852   5.510
  460   2HA   GLY  69          2HA       GLY  69  17.432 -12.260   4.006
  461    H    ASN  70           H        ASN  70  15.144 -11.638   3.838
  462    HA   ASN  70           HA       ASN  70  14.721  -8.962   4.824
  463   1HB   ASN  70          1HB       ASN  70  12.492 -10.456   3.521
  464   2HB   ASN  70          2HB       ASN  70  13.027  -8.778   3.283
  465   1HD2  ASN  70          1HD2      ASN  70  14.198  -8.318   1.545
  466   2HD2  ASN  70          2HD2      ASN  70  14.895  -9.480   0.468
  467    H    SER  71           H        SER  71  13.865  -8.521   6.739
  468    HA   SER  71           HA       SER  71  12.429 -10.628   8.166
  469   1HB   SER  71          1HB       SER  71  12.999  -7.947   9.379
  470   2HB   SER  71          2HB       SER  71  13.024  -9.562  10.128
  471    HG   SER  71           HG       SER  71  14.870  -9.600   8.252
  472    H    PHE  72           H        PHE  72  11.693  -8.103   6.152
  473    HA   PHE  72           HA       PHE  72   9.023  -7.765   7.311
  474   1HB   PHE  72          1HB       PHE  72   8.704  -5.885   5.959
  475   2HB   PHE  72          2HB       PHE  72  10.420  -5.781   6.391
  476    HD1  PHE  72           1HD      PHE  72  12.107  -6.735   4.677
  477    HD2  PHE  72           2HD      PHE  72   8.061  -5.805   3.734
  478    HE1  PHE  72           1HE      PHE  72  12.693  -6.598   2.293
  479    HE2  PHE  72           2HE      PHE  72   8.642  -5.669   1.349
  480    HZ   PHE  72           HZ       PHE  72  10.962  -6.064   0.629
  481    H    LEU  73           H        LEU  73   7.147  -8.333   6.087
  482    HA   LEU  73           HA       LEU  73   7.613 -10.743   4.592
  483   1HB   LEU  73          1HB       LEU  73   5.289  -9.360   5.768
  484   2HB   LEU  73          2HB       LEU  73   4.945 -10.288   4.289
  485    HG   LEU  73           HG       LEU  73   6.259 -12.183   5.572
  486   1HD1  LEU  73          1HD1      LEU  73   5.783 -12.098   7.992
  487   2HD1  LEU  73          2HD1      LEU  73   6.929 -10.863   7.476
  488   3HD1  LEU  73          3HD1      LEU  73   5.251 -10.427   7.806
  489   1HD2  LEU  73          1HD2      LEU  73   4.236 -13.091   5.467
  490   2HD2  LEU  73          2HD2      LEU  73   3.706 -12.119   6.841
  491   3HD2  LEU  73          3HD2      LEU  73   3.545 -11.490   5.203
  492    H    ILE  74           H        ILE  74   8.675 -10.164   2.748
  493    HA   ILE  74           HA       ILE  74   7.639  -8.228   0.909
  494    HB   ILE  74           HB       ILE  74   9.989  -8.527   0.842
  495   1HG1  ILE  74          1HG1      ILE  74   9.877 -10.082  -1.539
  496   2HG1  ILE  74          2HG1      ILE  74   8.387  -9.113  -1.450
  497   1HG2  ILE  74          1HG2      ILE  74   9.445 -11.173   1.515
  498   2HG2  ILE  74          2HG2      ILE  74  10.257 -11.250  -0.049
  499   3HG2  ILE  74          3HG2      ILE  74  11.030 -10.426   1.305
  500   1HD1  ILE  74          1HD1      ILE  74   9.480  -7.256  -2.000
  501   2HD1  ILE  74          2HD1      ILE  74  10.723  -7.535  -0.780
  502   3HD1  ILE  74          3HD1      ILE  74  10.869  -8.274  -2.376
  503    H    ILE  75           H        ILE  75   6.329  -8.547  -0.804
  504    HA   ILE  75           HA       ILE  75   5.012 -11.150  -0.888
  505    HB   ILE  75           HB       ILE  75   3.745  -9.334  -2.666
  506   1HG1  ILE  75          1HG1      ILE  75   4.203  -8.182   0.099
  507   2HG1  ILE  75          2HG1      ILE  75   4.890  -7.539  -1.411
  508   1HG2  ILE  75          1HG2      ILE  75   3.153 -11.010  -0.388
  509   2HG2  ILE  75          2HG2      ILE  75   2.192  -9.528  -0.390
  510   3HG2  ILE  75          3HG2      ILE  75   2.152 -10.611  -1.785
  511   1HD1  ILE  75          1HD1      ILE  75   2.895  -6.651  -2.094
  512   2HD1  ILE  75          2HD1      ILE  75   1.932  -7.847  -1.226
  513   3HD1  ILE  75          3HD1      ILE  75   2.696  -6.522  -0.346
  514    H    ASN  76           H        ASN  76   4.963 -12.447  -2.609
  515    HA   ASN  76           HA       ASN  76   6.815 -11.916  -4.797
  516   1HB   ASN  76          1HB       ASN  76   6.553 -14.170  -3.613
  517   2HB   ASN  76          2HB       ASN  76   4.989 -14.313  -4.444
  518   1HD2  ASN  76          1HD2      ASN  76   8.426 -14.493  -4.752
  519   2HD2  ASN  76          2HD2      ASN  76   8.461 -15.045  -6.393
  520    H    ALA  77           H        ALA  77   3.544 -11.619  -4.029
  521    HA   ALA  77           HA       ALA  77   1.714 -10.861  -5.117
  522   1HB   ALA  77          1HB       ALA  77   3.728 -10.161  -7.244
  523   2HB   ALA  77          2HB       ALA  77   2.019  -9.738  -7.335
  524   3HB   ALA  77          3HB       ALA  77   3.019  -9.095  -6.032
  525    H    ALA  78           H        ALA  78   2.768 -13.617  -5.372
  526    HA   ALA  78           HA       ALA  78   2.077 -14.628  -7.928
  527   1HB   ALA  78          1HB       ALA  78   2.557 -16.708  -7.078
  528   2HB   ALA  78          2HB       ALA  78   3.474 -15.684  -5.975
  529   3HB   ALA  78          3HB       ALA  78   1.907 -16.330  -5.483
  530    H    ASN  79           H        ASN  79   0.384 -14.796  -4.796
  531    HA   ASN  79           HA       ASN  79  -2.148 -15.043  -6.291
  532   1HB   ASN  79          1HB       ASN  79  -1.748 -15.814  -3.396
  533   2HB   ASN  79          2HB       ASN  79  -3.081 -16.265  -4.480
  534   1HD2  ASN  79          1HD2      ASN  79   0.241 -16.863  -3.607
  535   2HD2  ASN  79          2HD2      ASN  79   0.396 -18.383  -4.433
  536    H    CYS  80           H        CYS  80  -2.509 -12.806  -6.489
  537    HA   CYS  80           HA       CYS  80  -3.009 -11.454  -3.919
  538   1HB   CYS  80          1HB       CYS  80  -1.823 -10.374  -6.474
  539   2HB   CYS  80          2HB       CYS  80  -2.586  -9.305  -5.286
  540    H    VAL  81           H        VAL  81  -5.011 -10.726  -3.612
  541    HA   VAL  81           HA       VAL  81  -6.769 -10.503  -5.958
  542    HB   VAL  81           HB       VAL  81  -8.644 -10.945  -4.205
  543   1HG1  VAL  81          1HG1      VAL  81  -7.029 -12.691  -5.853
  544   2HG1  VAL  81          2HG1      VAL  81  -7.761 -13.552  -4.498
  545   3HG1  VAL  81          3HG1      VAL  81  -8.777 -12.651  -5.622
  546   1HG2  VAL  81          1HG2      VAL  81  -8.147 -11.944  -2.228
  547   2HG2  VAL  81          2HG2      VAL  81  -6.697 -12.725  -2.861
  548   3HG2  VAL  81          3HG2      VAL  81  -6.659 -11.018  -2.419
  549    H    ALA  82           H        ALA  82  -7.790  -8.655  -6.234
  550    HA   ALA  82           HA       ALA  82  -8.560  -6.868  -4.180
  551   1HB   ALA  82          1HB       ALA  82  -6.254  -5.891  -5.870
  552   2HB   ALA  82          2HB       ALA  82  -7.061  -5.034  -4.557
  553   3HB   ALA  82          3HB       ALA  82  -6.081  -6.458  -4.209
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  -8.975   7.839   7.475
    2   2H    ALA   1          2H        ALA   1  -7.470   8.069   8.212
    3   3H    ALA   1          3H        ALA   1  -8.569   6.949   8.859
    4    HA   ALA   1           HA       ALA   1  -7.694   6.605   6.094
    5   1HB   ALA   1          1HB       ALA   1  -5.657   7.054   7.498
    6   2HB   ALA   1          2HB       ALA   1  -6.061   5.604   8.416
    7   3HB   ALA   1          3HB       ALA   1  -5.691   5.485   6.695
    8    H    THR   2           H        THR   2  -7.484   4.186   5.724
    9    HA   THR   2           HA       THR   2  -9.809   2.912   6.814
   10    HB   THR   2           HB       THR   2  -8.150   1.076   5.357
   11    HG1  THR   2           1HG      THR   2  -7.128   2.759   4.344
   12   1HG2  THR   2          1HG2      THR   2 -10.262   0.538   4.882
   13   2HG2  THR   2          2HG2      THR   2 -10.247   1.865   3.723
   14   3HG2  THR   2          3HG2      THR   2 -10.853   2.131   5.359
   15    H    THR   3           H        THR   3  -9.688   2.152   8.853
   16    HA   THR   3           HA       THR   3  -7.285   0.948   9.889
   17    HB   THR   3           HB       THR   3 -10.005   0.705  11.151
   18    HG1  THR   3           1HG      THR   3 -10.002   2.854  11.033
   19   1HG2  THR   3          1HG2      THR   3  -7.318   0.081  11.906
   20   2HG2  THR   3          2HG2      THR   3  -8.810  -0.194  12.805
   21   3HG2  THR   3          3HG2      THR   3  -7.941   1.330  12.983
   22    H    ILE   4           H        ILE   4  -6.692  -1.056   9.508
   23    HA   ILE   4           HA       ILE   4  -8.290  -2.837   7.982
   24    HB   ILE   4           HB       ILE   4  -5.676  -3.286   9.430
   25   1HG1  ILE   4          1HG1      ILE   4  -6.082  -3.048   6.456
   26   2HG1  ILE   4          2HG1      ILE   4  -5.934  -1.593   7.471
   27   1HG2  ILE   4          1HG2      ILE   4  -7.217  -5.324   8.810
   28   2HG2  ILE   4          2HG2      ILE   4  -6.591  -5.022   7.188
   29   3HG2  ILE   4          3HG2      ILE   4  -5.480  -5.376   8.510
   30   1HD1  ILE   4          1HD1      ILE   4  -3.882  -3.461   6.547
   31   2HD1  ILE   4          2HD1      ILE   4  -3.736  -1.788   7.082
   32   3HD1  ILE   4          3HD1      ILE   4  -3.779  -3.092   8.268
   33    H    GLY   5           H        GLY   5  -9.854  -4.101   8.680
   34   1HA   GLY   5          1HA       GLY   5  -9.981  -4.811  11.526
   35   2HA   GLY   5          2HA       GLY   5 -11.320  -4.864  10.391
   36    HA   PRO   6           HA       PRO   6  -9.415  -9.132  11.088
   37   1HB   PRO   6          1HB       PRO   6 -11.660 -10.387  12.004
   38   2HB   PRO   6          2HB       PRO   6 -10.562  -9.436  13.057
   39   1HG   PRO   6          1HG       PRO   6 -13.106  -8.552  11.757
   40   2HG   PRO   6          2HG       PRO   6 -12.629  -8.402  13.480
   41   1HD   PRO   6          1HD       PRO   6 -12.386  -6.345  11.746
   42   2HD   PRO   6          2HD       PRO   6 -11.129  -6.656  12.981
   43    H    ASN   7           H        ASN   7 -12.586  -8.252   9.766
   44    HA   ASN   7           HA       ASN   7 -12.484 -10.510   7.921
   45   1HB   ASN   7          1HB       ASN   7 -14.585  -8.889   9.125
   46   2HB   ASN   7          2HB       ASN   7 -14.788  -9.016   7.365
   47   1HD2  ASN   7          1HD2      ASN   7 -15.024 -10.626  10.383
   48   2HD2  ASN   7          2HD2      ASN   7 -15.564 -12.153   9.776
   49    H    THR   8           H        THR   8 -10.479  -9.026   7.252
   50    HA   THR   8           HA       THR   8 -11.071  -6.787   5.577
   51    HB   THR   8           HB       THR   8  -8.491  -7.883   5.012
   52    HG1  THR   8           1HG      THR   8  -8.779  -7.483   7.794
   53   1HG2  THR   8          1HG2      THR   8  -8.062  -5.699   5.134
   54   2HG2  THR   8          2HG2      THR   8  -8.391  -5.715   6.869
   55   3HG2  THR   8          3HG2      THR   8  -9.702  -5.427   5.725
   56    H    CYS   9           H        CYS   9  -9.813 -10.053   4.897
   57    HA   CYS   9           HA       CYS   9 -10.131  -9.645   2.060
   58   1HB   CYS   9          1HB       CYS   9  -9.257 -12.060   3.661
   59   2HB   CYS   9          2HB       CYS   9  -9.259 -11.973   1.892
   60    H    SER  10           H        SER  10 -11.934 -10.000   0.989
   61    HA   SER  10           HA       SER  10 -14.094 -11.570   2.048
   62   1HB   SER  10          1HB       SER  10 -14.479 -11.109  -0.719
   63   2HB   SER  10          2HB       SER  10 -15.196 -10.207   0.638
   64    HG   SER  10           HG       SER  10 -13.931  -8.595   0.159
   65    H    ILE  11           H        ILE  11 -11.354 -12.020   0.044
   66    HA   ILE  11           HA       ILE  11 -12.172 -14.559  -1.042
   67    HB   ILE  11           HB       ILE  11  -9.628 -14.672  -1.576
   68   1HG1  ILE  11          1HG1      ILE  11  -9.446 -12.552   0.068
   69   2HG1  ILE  11          2HG1      ILE  11  -8.303 -12.858  -1.261
   70   1HG2  ILE  11          1HG2      ILE  11 -10.852 -14.417  -3.457
   71   2HG2  ILE  11          2HG2      ILE  11 -11.766 -13.056  -2.811
   72   3HG2  ILE  11          3HG2      ILE  11 -10.131 -12.809  -3.420
   73   1HD1  ILE  11          1HD1      ILE  11  -8.877 -10.568  -1.375
   74   2HD1  ILE  11          2HD1      ILE  11  -9.762 -11.356  -2.682
   75   3HD1  ILE  11          3HD1      ILE  11 -10.598 -10.908  -1.195
   76    H    ASP  12           H        ASP  12 -11.711 -16.540  -0.233
   77    HA   ASP  12           HA       ASP  12 -10.906 -16.636   2.545
   78   1HB   ASP  12          1HB       ASP  12 -12.816 -17.972   1.633
   79   2HB   ASP  12          2HB       ASP  12 -11.640 -18.931   0.709
   80    H    ASP  13           H        ASP  13  -9.115 -17.518   3.393
   81    HA   ASP  13           HA       ASP  13  -7.050 -18.404   3.615
   82   1HB   ASP  13          1HB       ASP  13  -8.020 -20.271   2.185
   83   2HB   ASP  13          2HB       ASP  13  -7.249 -19.478   0.794
   84    H    TYR  14           H        TYR  14  -7.172 -15.790   3.042
   85    HA   TYR  14           HA       TYR  14  -4.731 -15.442   1.450
   86   1HB   TYR  14          1HB       TYR  14  -7.369 -14.156   1.045
   87   2HB   TYR  14          2HB       TYR  14  -5.969 -13.073   0.985
   88    HD1  TYR  14           1HD      TYR  14  -7.891 -15.523  -0.794
   89    HD2  TYR  14           2HD      TYR  14  -4.075 -13.665  -0.613
   90    HE1  TYR  14           1HE      TYR  14  -7.430 -16.265  -3.091
   91    HE2  TYR  14           2HE      TYR  14  -3.594 -14.401  -2.905
   92    HH   TYR  14           HH       TYR  14  -6.054 -15.921  -4.899
   93    H    LYS  15           H        LYS  15  -3.398 -13.711   2.078
   94    HA   LYS  15           HA       LYS  15  -3.817 -12.858   4.851
   95   1HB   LYS  15          1HB       LYS  15  -1.345 -12.767   3.102
   96   2HB   LYS  15          2HB       LYS  15  -1.423 -12.228   4.797
   97   1HG   LYS  15          1HG       LYS  15  -2.031 -14.550   5.452
   98   2HG   LYS  15          2HG       LYS  15  -1.791 -15.050   3.760
   99   1HD   LYS  15          1HD       LYS  15   0.371 -13.605   5.301
  100   2HD   LYS  15          2HD       LYS  15   0.168 -15.370   5.418
  101   1HE   LYS  15          1HE       LYS  15   0.836 -15.733   3.255
  102   2HE   LYS  15          2HE       LYS  15   0.250 -14.152   2.692
  103   1HZ   LYS  15          1HZ       LYS  15   2.668 -14.559   4.389
  104   2HZ   LYS  15          2HZ       LYS  15   2.130 -13.092   3.728
  105   3HZ   LYS  15          3HZ       LYS  15   2.688 -14.318   2.705
  106    HA   PRO  16           HA       PRO  16  -4.699  -8.772   3.338
  107   1HB   PRO  16          1HB       PRO  16  -4.486  -7.755   6.059
  108   2HB   PRO  16          2HB       PRO  16  -5.950  -8.090   5.079
  109   1HG   PRO  16          1HG       PRO  16  -5.209  -9.502   7.298
  110   2HG   PRO  16          2HG       PRO  16  -6.310 -10.112   6.020
  111   1HD   PRO  16          1HD       PRO  16  -3.384 -10.659   6.521
  112   2HD   PRO  16          2HD       PRO  16  -4.663 -11.747   5.902
  113    H    TYR  17           H        TYR  17  -3.503  -7.064   2.706
  114    HA   TYR  17           HA       TYR  17  -0.936  -6.572   4.046
  115   1HB   TYR  17          1HB       TYR  17  -1.425  -7.188   1.145
  116   2HB   TYR  17          2HB       TYR  17  -0.078  -6.135   1.611
  117    HD1  TYR  17           1HD      TYR  17  -1.310  -9.543   1.481
  118    HD2  TYR  17           2HD      TYR  17   1.735  -7.040   3.079
  119    HE1  TYR  17           1HE      TYR  17   0.050 -11.525   1.969
  120    HE2  TYR  17           2HE      TYR  17   3.112  -9.015   3.563
  121    HH   TYR  17           HH       TYR  17   2.892 -11.786   2.261
  122    H    CYS  18           H        CYS  18  -0.352  -4.481   4.186
  123    HA   CYS  18           HA       CYS  18  -2.111  -2.497   2.909
  124   1HB   CYS  18          1HB       CYS  18  -2.188  -2.202   5.264
  125   2HB   CYS  18          2HB       CYS  18  -0.438  -2.421   5.421
  126    H    CYS  19           H        CYS  19  -1.266  -1.645   1.132
  127    HA   CYS  19           HA       CYS  19   1.665  -1.483   0.924
  128   1HB   CYS  19          1HB       CYS  19  -0.267  -1.446  -1.396
  129   2HB   CYS  19          2HB       CYS  19   1.479  -1.742  -1.430
  130    H    GLN  20           H        GLN  20   2.599   0.432   0.617
  131    HA   GLN  20           HA       GLN  20   0.983   2.825   0.714
  132   1HB   GLN  20          1HB       GLN  20   3.870   2.139   0.937
  133   2HB   GLN  20          2HB       GLN  20   3.477   3.773   0.351
  134   1HG   GLN  20          1HG       GLN  20   2.291   4.292   2.357
  135   2HG   GLN  20          2HG       GLN  20   2.367   2.605   2.911
  136   1HE2  GLN  20          1HE2      GLN  20   3.785   5.628   3.114
  137   2HE2  GLN  20          2HE2      GLN  20   5.295   5.161   3.822
  138    H    SER  21           H        SER  21   0.211   3.814  -1.038
  139    HA   SER  21           HA       SER  21   1.063   3.119  -3.676
  140   1HB   SER  21          1HB       SER  21  -0.473   5.550  -3.643
  141   2HB   SER  21          2HB       SER  21  -0.966   3.929  -4.187
  142    HG   SER  21           HG       SER  21  -1.213   5.100  -1.607
  143    H    MET  22           H        MET  22   3.290   3.646  -3.642
  144    HA   MET  22           HA       MET  22   4.146   6.306  -2.969
  145   1HB   MET  22          1HB       MET  22   6.358   5.545  -3.305
  146   2HB   MET  22          2HB       MET  22   5.476   4.180  -2.578
  147   1HG   MET  22          1HG       MET  22   5.680   4.347  -5.559
  148   2HG   MET  22          2HG       MET  22   7.104   3.844  -4.633
  149   1HE   MET  22          1HE       MET  22   7.040   1.687  -6.082
  150   2HE   MET  22          2HE       MET  22   5.796   0.439  -6.001
  151   3HE   MET  22          3HE       MET  22   5.480   1.948  -6.858
  152    H    SER  23           H        SER  23   5.153   7.786  -4.346
  153    HA   SER  23           HA       SER  23   3.957   7.866  -6.991
  154   1HB   SER  23          1HB       SER  23   5.606  10.112  -6.658
  155   2HB   SER  23          2HB       SER  23   3.842  10.034  -6.426
  156    HG   SER  23           HG       SER  23   4.171   9.594  -4.254
  157    H    GLY  24           H        GLY  24   5.375   5.937  -7.549
  158   1HA   GLY  24          1HA       GLY  24   7.968   6.926  -8.559
  159   2HA   GLY  24          2HA       GLY  24   7.773   5.308  -7.900
  160    HA   PRO  25           HA       PRO  25   7.298   4.940 -12.481
  161   1HB   PRO  25          1HB       PRO  25   8.707   2.377 -12.048
  162   2HB   PRO  25          2HB       PRO  25   9.124   3.772 -13.096
  163   1HG   PRO  25          1HG       PRO  25  10.499   3.140 -10.871
  164   2HG   PRO  25          2HG       PRO  25  10.376   4.812 -11.507
  165   1HD   PRO  25          1HD       PRO  25   8.945   3.470  -9.212
  166   2HD   PRO  25          2HD       PRO  25   9.530   5.155  -9.368
  167    H    ALA  26           H        ALA  26   5.252   4.395 -12.854
  168    HA   ALA  26           HA       ALA  26   4.083   2.068 -11.538
  169   1HB   ALA  26          1HB       ALA  26   2.978   4.379 -13.078
  170   2HB   ALA  26          2HB       ALA  26   2.013   2.919 -12.864
  171   3HB   ALA  26          3HB       ALA  26   2.575   3.817 -11.454
  172    H    GLY  27           H        GLY  27   5.374   3.032 -14.580
  173   1HA   GLY  27          1HA       GLY  27   6.057   1.211 -16.067
  174   2HA   GLY  27          2HA       GLY  27   4.505   0.454 -15.724
  175    H    SER  28           H        SER  28   6.157   2.144 -17.999
  176    HA   SER  28           HA       SER  28   3.672   3.222 -19.149
  177   1HB   SER  28          1HB       SER  28   6.089   4.259 -20.386
  178   2HB   SER  28          2HB       SER  28   4.725   5.138 -19.654
  179    HG   SER  28           HG       SER  28   6.646   5.567 -18.517
  180    HA   PRO  29           HA       PRO  29   4.841  -0.164 -22.022
  181   1HB   PRO  29          1HB       PRO  29   2.269  -0.787 -22.722
  182   2HB   PRO  29          2HB       PRO  29   3.066  -1.400 -21.236
  183   1HG   PRO  29          1HG       PRO  29   1.196   0.903 -21.530
  184   2HG   PRO  29          2HG       PRO  29   1.169  -0.413 -20.312
  185   1HD   PRO  29          1HD       PRO  29   2.183   2.068 -19.808
  186   2HD   PRO  29          2HD       PRO  29   2.887   0.588 -19.088
  187    H    GLY  30           H        GLY  30   5.065   0.015 -24.206
  188   1HA   GLY  30          1HA       GLY  30   3.725   1.134 -26.184
  189   2HA   GLY  30          2HA       GLY  30   4.278   2.584 -25.353
  190    H    LEU  31           H        LEU  31   5.234   2.758 -27.646
  191    HA   LEU  31           HA       LEU  31   7.763   1.285 -27.836
  192   1HB   LEU  31          1HB       LEU  31   5.949   1.578 -29.736
  193   2HB   LEU  31          2HB       LEU  31   6.804   3.120 -29.984
  194    HG   LEU  31           HG       LEU  31   8.928   1.714 -30.161
  195   1HD1  LEU  31          1HD1      LEU  31   7.236  -0.324 -29.382
  196   2HD1  LEU  31          2HD1      LEU  31   7.452  -0.596 -31.110
  197   3HD1  LEU  31          3HD1      LEU  31   8.857  -0.509 -30.047
  198   1HD2  LEU  31          1HD2      LEU  31   7.404   2.739 -32.021
  199   2HD2  LEU  31          2HD2      LEU  31   8.698   1.616 -32.449
  200   3HD2  LEU  31          3HD2      LEU  31   7.030   1.050 -32.360
  201    H    LEU  32           H        LEU  32   9.253   2.294 -26.658
  202    HA   LEU  32           HA       LEU  32   9.978   5.018 -27.444
  203   1HB   LEU  32          1HB       LEU  32   9.558   4.079 -24.594
  204   2HB   LEU  32          2HB       LEU  32  10.446   5.560 -25.028
  205    HG   LEU  32           HG       LEU  32   7.781   5.453 -26.212
  206   1HD1  LEU  32          1HD1      LEU  32   6.645   4.675 -24.462
  207   2HD1  LEU  32          2HD1      LEU  32   8.078   4.681 -23.433
  208   3HD1  LEU  32          3HD1      LEU  32   7.118   6.150 -23.618
  209   1HD2  LEU  32          1HD2      LEU  32   9.149   7.450 -26.180
  210   2HD2  LEU  32          2HD2      LEU  32   7.683   7.710 -25.235
  211   3HD2  LEU  32          3HD2      LEU  32   9.217   7.406 -24.418
  212    H    ASN  33           H        ASN  33  12.043   5.256 -25.510
  213    HA   ASN  33           HA       ASN  33  13.809   3.023 -26.247
  214   1HB   ASN  33          1HB       ASN  33  14.362   5.580 -26.704
  215   2HB   ASN  33          2HB       ASN  33  14.854   5.544 -24.997
  216   1HD2  ASN  33          1HD2      ASN  33  16.920   5.126 -24.692
  217   2HD2  ASN  33          2HD2      ASN  33  17.941   4.186 -25.729
  218    H    LEU  34           H        LEU  34  13.486   1.519 -24.701
  219    HA   LEU  34           HA       LEU  34  13.779   2.400 -21.906
  220   1HB   LEU  34          1HB       LEU  34  11.403   1.593 -23.006
  221   2HB   LEU  34          2HB       LEU  34  12.033   0.076 -22.320
  222    HG   LEU  34           HG       LEU  34  12.410   1.735 -20.222
  223   1HD1  LEU  34          1HD1      LEU  34  10.959   3.344 -21.923
  224   2HD1  LEU  34          2HD1      LEU  34   9.731   2.679 -20.843
  225   3HD1  LEU  34          3HD1      LEU  34  11.113   3.548 -20.177
  226   1HD2  LEU  34          1HD2      LEU  34  11.309  -0.385 -20.067
  227   2HD2  LEU  34          2HD2      LEU  34  10.256   0.836 -19.356
  228   3HD2  LEU  34          3HD2      LEU  34   9.920   0.213 -20.970
  229    H    ILE  35           H        ILE  35  15.560   1.527 -21.144
  230    HA   ILE  35           HA       ILE  35  16.282  -1.205 -21.948
  231    HB   ILE  35           HB       ILE  35  18.515  -0.470 -20.758
  232   1HG1  ILE  35          1HG1      ILE  35  18.419   2.150 -21.824
  233   2HG1  ILE  35          2HG1      ILE  35  16.981   1.961 -20.792
  234   1HG2  ILE  35          1HG2      ILE  35  19.196  -0.772 -22.846
  235   2HG2  ILE  35          2HG2      ILE  35  17.565  -0.456 -23.442
  236   3HG2  ILE  35          3HG2      ILE  35  18.700   0.877 -23.234
  237   1HD1  ILE  35          1HD1      ILE  35  19.831   2.109 -20.069
  238   2HD1  ILE  35          2HD1      ILE  35  18.397   2.596 -19.163
  239   3HD1  ILE  35          3HD1      ILE  35  18.889   0.904 -19.194
  240    HA   PRO  36           HA       PRO  36  15.277  -2.726 -17.939
  241   1HB   PRO  36          1HB       PRO  36  17.711  -4.444 -18.081
  242   2HB   PRO  36          2HB       PRO  36  15.974  -4.880 -17.972
  243   1HG   PRO  36          1HG       PRO  36  17.385  -5.201 -20.215
  244   2HG   PRO  36          2HG       PRO  36  15.634  -4.811 -20.232
  245   1HD   PRO  36          1HD       PRO  36  18.042  -3.068 -20.746
  246   2HD   PRO  36          2HD       PRO  36  16.423  -3.036 -21.507
  247    H    VAL  37           H        VAL  37  15.607  -1.695 -16.093
  248    HA   VAL  37           HA       VAL  37  18.367  -1.168 -15.235
  249    HB   VAL  37           HB       VAL  37  17.513   0.975 -15.788
  250   1HG1  VAL  37          1HG1      VAL  37  15.385   1.853 -14.994
  251   2HG1  VAL  37          2HG1      VAL  37  15.151   0.386 -15.942
  252   3HG1  VAL  37          3HG1      VAL  37  15.044   0.324 -14.184
  253   1HG2  VAL  37          1HG2      VAL  37  16.851   1.499 -13.061
  254   2HG2  VAL  37          2HG2      VAL  37  18.144   0.300 -13.120
  255   3HG2  VAL  37          3HG2      VAL  37  18.346   1.854 -13.930
  256    H    ASP  38           H        ASP  38  15.045  -1.638 -14.184
  257    HA   ASP  38           HA       ASP  38  16.056  -3.170 -11.892
  258   1HB   ASP  38          1HB       ASP  38  14.723  -0.745 -11.652
  259   2HB   ASP  38          2HB       ASP  38  13.429  -1.944 -11.444
  260    H    LEU  39           H        LEU  39  15.254  -5.191 -11.821
  261    HA   LEU  39           HA       LEU  39  13.048  -5.783 -13.690
  262   1HB   LEU  39          1HB       LEU  39  15.439  -7.488 -12.966
  263   2HB   LEU  39          2HB       LEU  39  14.093  -8.002 -14.011
  264    HG   LEU  39           HG       LEU  39  15.833  -5.628 -14.666
  265   1HD1  LEU  39          1HD1      LEU  39  16.253  -8.533 -15.288
  266   2HD1  LEU  39          2HD1      LEU  39  16.947  -7.241 -16.266
  267   3HD1  LEU  39          3HD1      LEU  39  17.386  -7.391 -14.565
  268   1HD2  LEU  39          1HD2      LEU  39  13.509  -6.834 -15.813
  269   2HD2  LEU  39          2HD2      LEU  39  14.382  -5.388 -16.319
  270   3HD2  LEU  39          3HD2      LEU  39  14.864  -6.970 -16.932
  271    H    SER  40           H        SER  40  11.800  -7.710 -13.211
  272    HA   SER  40           HA       SER  40  10.474  -8.976 -11.892
  273   1HB   SER  40          1HB       SER  40  12.564  -9.113  -9.750
  274   2HB   SER  40          2HB       SER  40  11.525 -10.400 -10.407
  275    HG   SER  40           HG       SER  40  14.032  -9.766 -11.098
  276    H    ALA  41           H        ALA  41   9.662  -6.531 -11.692
  277    HA   ALA  41           HA       ALA  41   9.732  -5.407  -9.063
  278   1HB   ALA  41          1HB       ALA  41   8.458  -4.776 -11.632
  279   2HB   ALA  41          2HB       ALA  41   7.538  -4.285 -10.211
  280   3HB   ALA  41          3HB       ALA  41   9.190  -3.707 -10.434
  281    H    SER  42           H        SER  42   8.877  -6.469  -7.412
  282    HA   SER  42           HA       SER  42   6.387  -7.971  -7.842
  283   1HB   SER  42          1HB       SER  42   8.269  -8.421  -5.530
  284   2HB   SER  42          2HB       SER  42   7.079  -9.540  -6.237
  285    HG   SER  42           HG       SER  42   9.314  -8.583  -7.716
  286    H    LEU  43           H        LEU  43   5.582  -8.351  -5.254
  287    HA   LEU  43           HA       LEU  43   4.491  -5.739  -4.678
  288   1HB   LEU  43          1HB       LEU  43   3.795  -8.528  -4.108
  289   2HB   LEU  43          2HB       LEU  43   3.509  -7.427  -2.739
  290    HG   LEU  43           HG       LEU  43   1.478  -7.610  -3.980
  291   1HD1  LEU  43          1HD1      LEU  43   1.967  -5.071  -5.167
  292   2HD1  LEU  43          2HD1      LEU  43   1.100  -5.453  -3.680
  293   3HD1  LEU  43          3HD1      LEU  43   2.839  -5.164  -3.636
  294   1HD2  LEU  43          1HD2      LEU  43   1.419  -8.015  -6.156
  295   2HD2  LEU  43          2HD2      LEU  43   2.184  -6.464  -6.497
  296   3HD2  LEU  43          3HD2      LEU  43   3.178  -7.890  -6.201
  297    H    GLY  44           H        GLY  44   4.994  -4.467  -3.010
  298   1HA   GLY  44          1HA       GLY  44   6.752  -5.558  -0.904
  299   2HA   GLY  44          2HA       GLY  44   7.070  -3.993  -1.646
  300    H    CYS  45           H        CYS  45   5.076  -5.771   0.562
  301    HA   CYS  45           HA       CYS  45   3.993  -3.262   1.595
  302   1HB   CYS  45          1HB       CYS  45   2.216  -5.668   1.416
  303   2HB   CYS  45          2HB       CYS  45   1.772  -3.966   1.628
  304    H    VAL  46           H        VAL  46   2.673  -3.849   3.693
  305    HA   VAL  46           HA       VAL  46   4.201  -5.870   5.202
  306    HB   VAL  46           HB       VAL  46   3.427  -4.433   7.235
  307   1HG1  VAL  46          1HG1      VAL  46   5.735  -4.297   5.496
  308   2HG1  VAL  46          2HG1      VAL  46   5.462  -2.773   6.342
  309   3HG1  VAL  46          3HG1      VAL  46   5.643  -4.270   7.257
  310   1HG2  VAL  46          1HG2      VAL  46   2.327  -2.902   5.189
  311   2HG2  VAL  46          2HG2      VAL  46   2.503  -2.438   6.883
  312   3HG2  VAL  46          3HG2      VAL  46   3.748  -1.997   5.712
  313    H    VAL  47           H        VAL  47   2.988  -7.003   6.855
  314    HA   VAL  47           HA       VAL  47   0.523  -7.936   5.889
  315    HB   VAL  47           HB       VAL  47   1.744  -8.281   8.635
  316   1HG1  VAL  47          1HG1      VAL  47  -0.827  -8.675   8.226
  317   2HG1  VAL  47          2HG1      VAL  47  -0.254 -10.174   7.497
  318   3HG1  VAL  47          3HG1      VAL  47   0.124  -9.810   9.181
  319   1HG2  VAL  47          1HG2      VAL  47   1.838  -9.945   6.124
  320   2HG2  VAL  47          2HG2      VAL  47   3.190  -9.228   7.001
  321   3HG2  VAL  47          3HG2      VAL  47   2.286 -10.567   7.714
  322    H    GLY  48           H        GLY  48  -1.477  -7.257   6.149
  323   1HA   GLY  48          1HA       GLY  48  -1.978  -4.853   7.666
  324   2HA   GLY  48          2HA       GLY  48  -3.133  -5.723   6.668
  325    H    VAL  49           H        VAL  49  -1.411  -5.873   9.747
  326    HA   VAL  49           HA       VAL  49  -3.155  -7.823  10.874
  327    HB   VAL  49           HB       VAL  49  -2.164  -6.872  13.096
  328   1HG1  VAL  49          1HG1      VAL  49  -0.264  -8.289  12.871
  329   2HG1  VAL  49          2HG1      VAL  49  -1.569  -9.002  11.925
  330   3HG1  VAL  49          3HG1      VAL  49  -0.273  -8.124  11.114
  331   1HG2  VAL  49          1HG2      VAL  49  -0.071  -5.803  11.225
  332   2HG2  VAL  49          2HG2      VAL  49  -1.354  -4.778  11.869
  333   3HG2  VAL  49          3HG2      VAL  49  -0.219  -5.566  12.966
  334    H    ILE  50           H        ILE  50  -4.796  -7.542  12.383
  335    HA   ILE  50           HA       ILE  50  -6.570  -5.430  11.854
  336    HB   ILE  50           HB       ILE  50  -6.623  -7.217  14.288
  337   1HG1  ILE  50          1HG1      ILE  50  -8.379  -8.068  12.176
  338   2HG1  ILE  50          2HG1      ILE  50  -6.713  -7.962  11.560
  339   1HG2  ILE  50          1HG2      ILE  50  -8.763  -5.692  12.819
  340   2HG2  ILE  50          2HG2      ILE  50  -9.084  -6.886  14.077
  341   3HG2  ILE  50          3HG2      ILE  50  -8.188  -5.416  14.462
  342   1HD1  ILE  50          1HD1      ILE  50  -5.946  -9.449  13.313
  343   2HD1  ILE  50          2HD1      ILE  50  -7.563  -9.501  14.015
  344   3HD1  ILE  50          3HD1      ILE  50  -7.269 -10.199  12.421
  345    H    GLY  51           H        GLY  51  -6.638  -3.428  12.608
  346   1HA   GLY  51          1HA       GLY  51  -6.718  -2.004  14.598
  347   2HA   GLY  51          2HA       GLY  51  -5.305  -2.866  15.184
  348    H    SER  52           H        SER  52  -4.518  -2.684  12.126
  349    HA   SER  52           HA       SER  52  -2.976  -0.249  12.507
  350   1HB   SER  52          1HB       SER  52  -2.783  -1.915  10.024
  351   2HB   SER  52          2HB       SER  52  -1.504  -1.052  10.913
  352    HG   SER  52           HG       SER  52  -2.741  -3.529  11.520
  353    H    GLN  53           H        GLN  53  -3.211   1.604  11.366
  354    HA   GLN  53           HA       GLN  53  -5.560   1.795   9.641
  355   1HB   GLN  53          1HB       GLN  53  -4.362   3.481  11.589
  356   2HB   GLN  53          2HB       GLN  53  -4.261   4.312  10.019
  357   1HG   GLN  53          1HG       GLN  53  -6.506   4.564   9.847
  358   2HG   GLN  53          2HG       GLN  53  -6.855   3.055  10.718
  359   1HE2  GLN  53          1HE2      GLN  53  -8.225   3.752  12.240
  360   2HE2  GLN  53          2HE2      GLN  53  -7.849   4.955  13.439
  361    H    CYS  54           H        CYS  54  -5.287   1.609   7.547
  362    HA   CYS  54           HA       CYS  54  -2.662   2.267   6.389
  363   1HB   CYS  54          1HB       CYS  54  -3.548  -0.099   6.194
  364   2HB   CYS  54          2HB       CYS  54  -4.852   0.549   5.187
  365    H    GLY  55           H        GLY  55  -2.690   4.276   5.604
  366   1HA   GLY  55          1HA       GLY  55  -5.149   5.349   4.437
  367   2HA   GLY  55          2HA       GLY  55  -3.704   6.268   4.839
  368    H    ALA  56           H        ALA  56  -3.837   3.281   2.993
  369    HA   ALA  56           HA       ALA  56  -3.212   4.745   0.547
  370   1HB   ALA  56          1HB       ALA  56  -1.511   2.380   1.015
  371   2HB   ALA  56          2HB       ALA  56  -1.132   3.925   0.253
  372   3HB   ALA  56          3HB       ALA  56  -1.163   3.795   2.011
  373    H    SER  57           H        SER  57  -2.414   1.434   0.438
  374    HA   SER  57           HA       SER  57  -5.092   0.794  -0.615
  375   1HB   SER  57          1HB       SER  57  -2.628  -0.438  -1.811
  376   2HB   SER  57          2HB       SER  57  -4.231  -0.179  -2.541
  377    HG   SER  57           HG       SER  57  -2.602   2.008  -1.785
  378    H    VAL  58           H        VAL  58  -6.004  -0.914   0.320
  379    HA   VAL  58           HA       VAL  58  -4.267  -2.886   1.645
  380    HB   VAL  58           HB       VAL  58  -7.244  -2.654   2.062
  381   1HG1  VAL  58          1HG1      VAL  58  -6.886  -4.505   3.238
  382   2HG1  VAL  58          2HG1      VAL  58  -5.137  -4.359   3.052
  383   3HG1  VAL  58          3HG1      VAL  58  -5.957  -3.526   4.375
  384   1HG2  VAL  58          1HG2      VAL  58  -5.101  -0.927   3.104
  385   2HG2  VAL  58          2HG2      VAL  58  -6.831  -0.626   2.946
  386   3HG2  VAL  58          3HG2      VAL  58  -6.220  -1.559   4.312
  387    H    LYS  59           H        LYS  59  -4.121  -4.864   0.828
  388    HA   LYS  59           HA       LYS  59  -6.242  -5.938  -0.852
  389   1HB   LYS  59          1HB       LYS  59  -4.454  -6.662  -2.537
  390   2HB   LYS  59          2HB       LYS  59  -5.020  -4.974  -2.583
  391   1HG   LYS  59          1HG       LYS  59  -2.857  -4.426  -2.585
  392   2HG   LYS  59          2HG       LYS  59  -2.878  -4.849  -0.856
  393   1HD   LYS  59          1HD       LYS  59  -1.157  -6.190  -1.517
  394   2HD   LYS  59          2HD       LYS  59  -2.508  -7.298  -1.857
  395   1HE   LYS  59          1HE       LYS  59  -1.039  -5.520  -3.825
  396   2HE   LYS  59          2HE       LYS  59  -1.016  -7.295  -3.749
  397   1HZ   LYS  59          1HZ       LYS  59  -2.571  -7.058  -5.345
  398   2HZ   LYS  59          2HZ       LYS  59  -3.038  -5.503  -4.851
  399   3HZ   LYS  59          3HZ       LYS  59  -3.622  -6.866  -4.029
  400    H    CYS  60           H        CYS  60  -5.620  -8.279  -1.513
  401    HA   CYS  60           HA       CYS  60  -4.364  -9.509   0.852
  402   1HB   CYS  60          1HB       CYS  60  -6.591 -10.656  -0.849
  403   2HB   CYS  60          2HB       CYS  60  -5.898 -11.382   0.611
  404    H    CYS  61           H        CYS  61  -2.841 -11.056   0.542
  405    HA   CYS  61           HA       CYS  61  -2.453 -12.116  -2.151
  406   1HB   CYS  61          1HB       CYS  61  -0.367 -10.598  -0.575
  407   2HB   CYS  61          2HB       CYS  61   0.048 -11.696  -1.901
  408    H    LYS  62           H        LYS  62  -1.315 -14.039  -2.253
  409    HA   LYS  62           HA       LYS  62  -0.809 -15.370   0.319
  410   1HB   LYS  62          1HB       LYS  62  -2.324 -16.207  -2.018
  411   2HB   LYS  62          2HB       LYS  62  -1.025 -17.361  -1.632
  412   1HG   LYS  62          1HG       LYS  62  -2.849 -16.370   0.535
  413   2HG   LYS  62          2HG       LYS  62  -3.392 -17.650  -0.576
  414   1HD   LYS  62          1HD       LYS  62  -1.524 -19.051   0.040
  415   2HD   LYS  62          2HD       LYS  62  -0.823 -17.749   1.030
  416   1HE   LYS  62          1HE       LYS  62  -2.050 -18.355   2.789
  417   2HE   LYS  62          2HE       LYS  62  -3.547 -18.231   1.839
  418   1HZ   LYS  62          1HZ       LYS  62  -2.607 -20.510   2.874
  419   2HZ   LYS  62          2HZ       LYS  62  -1.938 -20.594   1.317
  420   3HZ   LYS  62          3HZ       LYS  62  -3.619 -20.436   1.515
  421    H    ASP  63           H        ASP  63   1.201 -15.758   0.697
  422    HA   ASP  63           HA       ASP  63   3.137 -16.473  -1.276
  423   1HB   ASP  63          1HB       ASP  63   4.241 -14.512  -1.600
  424   2HB   ASP  63          2HB       ASP  63   2.669 -13.798  -1.179
  425    H    ASP  64           H        ASP  64   5.346 -16.635  -0.232
  426    HA   ASP  64           HA       ASP  64   5.002 -17.367   2.592
  427   1HB   ASP  64          1HB       ASP  64   5.898 -18.973   0.640
  428   2HB   ASP  64          2HB       ASP  64   7.436 -18.216   1.105
  429    H    VAL  65           H        VAL  65   5.197 -14.972   2.896
  430    HA   VAL  65           HA       VAL  65   7.760 -13.762   2.566
  431    HB   VAL  65           HB       VAL  65   5.355 -12.709   2.743
  432   1HG1  VAL  65          1HG1      VAL  65   5.437 -13.566   5.277
  433   2HG1  VAL  65          2HG1      VAL  65   6.122 -11.953   5.486
  434   3HG1  VAL  65          3HG1      VAL  65   4.526 -12.148   4.759
  435   1HG2  VAL  65          1HG2      VAL  65   7.514 -11.579   2.244
  436   2HG2  VAL  65          2HG2      VAL  65   6.342 -10.578   3.101
  437   3HG2  VAL  65          3HG2      VAL  65   7.698 -11.289   3.974
  438    H    THR  66           H        THR  66   6.840 -16.132   4.557
  439    HA   THR  66           HA       THR  66   7.969 -15.241   7.037
  440    HB   THR  66           HB       THR  66   7.870 -17.984   7.176
  441    HG1  THR  66           1HG      THR  66   6.594 -18.634   5.612
  442   1HG2  THR  66          1HG2      THR  66   6.458 -17.475   8.840
  443   2HG2  THR  66          2HG2      THR  66   5.334 -16.658   7.751
  444   3HG2  THR  66          3HG2      THR  66   6.743 -15.796   8.374
  445    H    ASN  67           H        ASN  67   9.969 -14.584   5.927
  446    HA   ASN  67           HA       ASN  67  12.026 -16.486   6.474
  447   1HB   ASN  67          1HB       ASN  67  13.051 -16.633   4.303
  448   2HB   ASN  67          2HB       ASN  67  11.360 -17.158   4.162
  449   1HD2  ASN  67          1HD2      ASN  67  13.736 -15.315   2.780
  450   2HD2  ASN  67          2HD2      ASN  67  12.747 -14.281   1.801
  451    H    THR  68           H        THR  68  14.187 -15.332   5.332
  452    HA   THR  68           HA       THR  68  14.411 -12.893   6.822
  453    HB   THR  68           HB       THR  68  16.658 -13.401   5.093
  454    HG1  THR  68           1HG      THR  68  17.093 -15.539   6.063
  455   1HG2  THR  68          1HG2      THR  68  16.491 -13.937   8.050
  456   2HG2  THR  68          2HG2      THR  68  16.513 -12.295   7.406
  457   3HG2  THR  68          3HG2      THR  68  17.874 -13.377   7.109
  458    H    GLY  69           H        GLY  69  13.540 -11.100   5.996
  459   1HA   GLY  69          1HA       GLY  69  13.976 -10.532   3.127
  460   2HA   GLY  69          2HA       GLY  69  12.590  -9.957   4.043
  461    H    ASN  70           H        ASN  70  14.536  -8.420   2.519
  462    HA   ASN  70           HA       ASN  70  16.254  -7.124   4.434
  463   1HB   ASN  70          1HB       ASN  70  16.232  -7.371   1.664
  464   2HB   ASN  70          2HB       ASN  70  15.825  -5.664   1.944
  465   1HD2  ASN  70          1HD2      ASN  70  18.290  -7.919   1.726
  466   2HD2  ASN  70          2HD2      ASN  70  19.580  -6.960   2.372
  467    H    SER  71           H        SER  71  15.622  -5.662   5.802
  468    HA   SER  71           HA       SER  71  14.707  -3.818   6.725
  469   1HB   SER  71          1HB       SER  71  13.396  -3.155   4.083
  470   2HB   SER  71          2HB       SER  71  13.847  -2.045   5.400
  471    HG   SER  71           HG       SER  71  16.093  -3.092   4.841
  472    H    PHE  72           H        PHE  72  12.321  -5.133   4.417
  473    HA   PHE  72           HA       PHE  72  10.467  -5.475   6.649
  474   1HB   PHE  72          1HB       PHE  72   8.688  -4.283   5.656
  475   2HB   PHE  72          2HB       PHE  72  10.102  -3.223   5.527
  476    HD1  PHE  72           1HD      PHE  72   7.309  -4.218   3.843
  477    HD2  PHE  72           2HD      PHE  72  11.496  -3.807   3.202
  478    HE1  PHE  72           1HE      PHE  72   6.911  -4.027   1.426
  479    HE2  PHE  72           2HE      PHE  72  11.109  -3.611   0.779
  480    HZ   PHE  72           HZ       PHE  72   8.815  -3.720  -0.114
  481    H    LEU  73           H        LEU  73   8.242  -6.171   5.047
  482    HA   LEU  73           HA       LEU  73   9.017  -8.877   4.452
  483   1HB   LEU  73          1HB       LEU  73   6.289  -7.617   4.183
  484   2HB   LEU  73          2HB       LEU  73   6.677  -9.348   4.331
  485    HG   LEU  73           HG       LEU  73   7.413  -7.462   6.542
  486   1HD1  LEU  73          1HD1      LEU  73   4.795  -7.715   5.587
  487   2HD1  LEU  73          2HD1      LEU  73   4.890  -8.743   7.018
  488   3HD1  LEU  73          3HD1      LEU  73   5.319  -7.036   7.128
  489   1HD2  LEU  73          1HD2      LEU  73   7.970 -10.026   6.232
  490   2HD2  LEU  73          2HD2      LEU  73   7.576  -9.352   7.812
  491   3HD2  LEU  73          3HD2      LEU  73   6.347 -10.215   6.890
  492    H    ILE  74           H        ILE  74   9.945  -9.214   2.535
  493    HA   ILE  74           HA       ILE  74   8.969  -7.919   0.133
  494    HB   ILE  74           HB       ILE  74  10.893 -10.235   0.200
  495   1HG1  ILE  74          1HG1      ILE  74  11.598  -8.475   1.841
  496   2HG1  ILE  74          2HG1      ILE  74  12.748  -8.755   0.512
  497   1HG2  ILE  74          1HG2      ILE  74  10.679  -7.881  -1.667
  498   2HG2  ILE  74          2HG2      ILE  74  11.733  -9.282  -1.850
  499   3HG2  ILE  74          3HG2      ILE  74   9.983  -9.472  -1.968
  500   1HD1  ILE  74          1HD1      ILE  74  12.725  -6.460   0.613
  501   2HD1  ILE  74          2HD1      ILE  74  11.472  -6.749  -0.597
  502   3HD1  ILE  74          3HD1      ILE  74  11.023  -6.382   1.068
  503    H    ILE  75           H        ILE  75   7.275  -8.677  -0.979
  504    HA   ILE  75           HA       ILE  75   6.129 -11.210  -0.105
  505    HB   ILE  75           HB       ILE  75   4.940  -9.043  -1.840
  506   1HG1  ILE  75          1HG1      ILE  75   4.212  -9.651   1.014
  507   2HG1  ILE  75          2HG1      ILE  75   5.530  -8.524   0.608
  508   1HG2  ILE  75          1HG2      ILE  75   3.331 -11.096  -0.392
  509   2HG2  ILE  75          2HG2      ILE  75   2.922 -10.143  -1.817
  510   3HG2  ILE  75          3HG2      ILE  75   4.052 -11.490  -1.954
  511   1HD1  ILE  75          1HD1      ILE  75   3.802  -7.046   0.772
  512   2HD1  ILE  75          2HD1      ILE  75   3.645  -7.470  -0.932
  513   3HD1  ILE  75          3HD1      ILE  75   2.589  -8.223   0.264
  514    H    ASN  76           H        ASN  76   6.102 -12.983  -1.274
  515    HA   ASN  76           HA       ASN  76   7.195 -13.101  -3.922
  516   1HB   ASN  76          1HB       ASN  76   7.114 -14.964  -2.103
  517   2HB   ASN  76          2HB       ASN  76   5.461 -15.247  -2.693
  518   1HD2  ASN  76          1HD2      ASN  76   8.856 -15.403  -3.463
  519   2HD2  ASN  76          2HD2      ASN  76   8.696 -16.410  -4.868
  520    H    ALA  77           H        ALA  77   6.121 -12.228  -5.580
  521    HA   ALA  77           HA       ALA  77   3.308 -11.682  -5.378
  522   1HB   ALA  77          1HB       ALA  77   4.735 -11.238  -7.936
  523   2HB   ALA  77          2HB       ALA  77   3.612 -10.194  -7.064
  524   3HB   ALA  77          3HB       ALA  77   5.285 -10.330  -6.528
  525    H    ALA  78           H        ALA  78   3.281 -14.278  -5.244
  526    HA   ALA  78           HA       ALA  78   2.847 -15.408  -7.895
  527   1HB   ALA  78          1HB       ALA  78   3.974 -16.869  -6.390
  528   2HB   ALA  78          2HB       ALA  78   2.774 -16.598  -5.128
  529   3HB   ALA  78          3HB       ALA  78   2.337 -17.497  -6.579
  530    H    ASN  79           H        ASN  79   0.988 -15.227  -4.843
  531    HA   ASN  79           HA       ASN  79  -1.463 -15.134  -6.486
  532   1HB   ASN  79          1HB       ASN  79  -1.334 -15.848  -3.552
  533   2HB   ASN  79          2HB       ASN  79  -2.648 -16.164  -4.706
  534   1HD2  ASN  79          1HD2      ASN  79   0.459 -17.189  -3.531
  535   2HD2  ASN  79          2HD2      ASN  79   0.491 -18.717  -4.358
  536    H    CYS  80           H        CYS  80  -1.908 -13.001  -6.740
  537    HA   CYS  80           HA       CYS  80  -2.296 -11.488  -4.256
  538   1HB   CYS  80          1HB       CYS  80  -0.548 -10.782  -6.551
  539   2HB   CYS  80          2HB       CYS  80  -1.532  -9.472  -5.879
  540    H    VAL  81           H        VAL  81  -4.169 -10.441  -4.125
  541    HA   VAL  81           HA       VAL  81  -5.663  -9.878  -6.590
  542    HB   VAL  81           HB       VAL  81  -7.744 -10.403  -5.023
  543   1HG1  VAL  81          1HG1      VAL  81  -8.087 -12.338  -6.253
  544   2HG1  VAL  81          2HG1      VAL  81  -6.966 -11.421  -7.260
  545   3HG1  VAL  81          3HG1      VAL  81  -6.374 -12.755  -6.269
  546   1HG2  VAL  81          1HG2      VAL  81  -7.463 -11.857  -3.321
  547   2HG2  VAL  81          2HG2      VAL  81  -6.151 -12.715  -4.127
  548   3HG2  VAL  81          3HG2      VAL  81  -5.830 -11.192  -3.296
  549    H    ALA  82           H        ALA  82  -7.341  -8.243  -6.290
  550    HA   ALA  82           HA       ALA  82  -7.512  -6.659  -3.935
  551   1HB   ALA  82          1HB       ALA  82  -5.754  -5.313  -4.214
  552   2HB   ALA  82          2HB       ALA  82  -5.399  -6.003  -5.798
  553   3HB   ALA  82          3HB       ALA  82  -6.559  -4.684  -5.651
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1  -8.541   7.552   4.702
    2   2H    ALA   1          2H        ALA   1  -8.379   7.721   6.377
    3   3H    ALA   1          3H        ALA   1  -9.641   6.781   5.739
    4    HA   ALA   1           HA       ALA   1  -7.188   5.839   4.743
    5   1HB   ALA   1          1HB       ALA   1  -5.807   5.705   6.494
    6   2HB   ALA   1          2HB       ALA   1  -6.820   6.940   7.242
    7   3HB   ALA   1          3HB       ALA   1  -7.106   5.235   7.589
    8    H    THR   2           H        THR   2  -7.091   3.492   5.041
    9    HA   THR   2           HA       THR   2  -9.780   2.405   5.476
   10    HB   THR   2           HB       THR   2  -7.782   0.540   4.454
   11    HG1  THR   2           1HG      THR   2  -8.011   3.089   3.320
   12   1HG2  THR   2          1HG2      THR   2 -10.446   1.570   3.482
   13   2HG2  THR   2          2HG2      THR   2 -10.114   0.038   4.291
   14   3HG2  THR   2          3HG2      THR   2  -9.520   0.322   2.654
   15    H    THR   3           H        THR   3 -10.161   1.569   7.419
   16    HA   THR   3           HA       THR   3  -8.031   0.650   9.136
   17    HB   THR   3           HB       THR   3 -10.945   0.162   9.676
   18    HG1  THR   3           1HG      THR   3 -10.893   2.325   9.076
   19   1HG2  THR   3          1HG2      THR   3 -10.280  -0.174  11.795
   20   2HG2  THR   3          2HG2      THR   3  -9.205   1.225  11.770
   21   3HG2  THR   3          3HG2      THR   3  -8.659  -0.321  11.118
   22    H    ILE   4           H        ILE   4  -7.236  -1.350   9.186
   23    HA   ILE   4           HA       ILE   4  -8.278  -3.264   7.297
   24    HB   ILE   4           HB       ILE   4  -5.913  -3.551   9.150
   25   1HG1  ILE   4          1HG1      ILE   4  -6.103  -2.529   6.304
   26   2HG1  ILE   4          2HG1      ILE   4  -5.658  -1.582   7.744
   27   1HG2  ILE   4          1HG2      ILE   4  -7.135  -5.518   7.779
   28   2HG2  ILE   4          2HG2      ILE   4  -6.014  -4.930   6.549
   29   3HG2  ILE   4          3HG2      ILE   4  -5.401  -5.485   8.108
   30   1HD1  ILE   4          1HD1      ILE   4  -3.812  -2.450   6.119
   31   2HD1  ILE   4          2HD1      ILE   4  -3.556  -2.518   7.861
   32   3HD1  ILE   4          3HD1      ILE   4  -4.028  -3.972   6.984
   33    H    GLY   5           H        GLY   5  -9.582  -4.887   7.720
   34   1HA   GLY   5          1HA       GLY   5 -10.000  -5.700  10.523
   35   2HA   GLY   5          2HA       GLY   5 -11.181  -5.880   9.231
   36    HA   PRO   6           HA       PRO   6  -8.502  -9.779  10.076
   37   1HB   PRO   6          1HB       PRO   6 -11.142 -11.034  10.654
   38   2HB   PRO   6          2HB       PRO   6  -9.600 -11.077  11.569
   39   1HG   PRO   6          1HG       PRO   6 -11.717  -9.683  12.405
   40   2HG   PRO   6          2HG       PRO   6 -10.032  -9.162  12.734
   41   1HD   PRO   6          1HD       PRO   6 -12.049  -8.148  10.732
   42   2HD   PRO   6          2HD       PRO   6 -10.808  -7.253  11.660
   43    H    ASN   7           H        ASN   7 -11.713  -9.505   8.616
   44    HA   ASN   7           HA       ASN   7 -10.748 -11.143   6.372
   45   1HB   ASN   7          1HB       ASN   7 -13.418 -11.350   6.077
   46   2HB   ASN   7          2HB       ASN   7 -12.455 -12.504   7.026
   47   1HD2  ASN   7          1HD2      ASN   7 -12.849 -12.710   9.151
   48   2HD2  ASN   7          2HD2      ASN   7 -13.982 -11.746  10.044
   49    H    THR   8           H        THR   8  -9.923  -8.937   5.834
   50    HA   THR   8           HA       THR   8 -11.611  -6.807   5.150
   51    HB   THR   8           HB       THR   8  -9.243  -6.970   3.475
   52    HG1  THR   8           1HG      THR   8  -8.798  -7.150   6.290
   53   1HG2  THR   8          1HG2      THR   8 -10.373  -4.892   4.079
   54   2HG2  THR   8          2HG2      THR   8  -8.699  -4.883   4.626
   55   3HG2  THR   8          3HG2      THR   8 -10.001  -5.174   5.779
   56    H    CYS   9           H        CYS   9 -10.250  -9.418   3.200
   57    HA   CYS   9           HA       CYS   9 -12.215  -8.783   1.107
   58   1HB   CYS   9          1HB       CYS   9 -10.261 -10.322  -0.116
   59   2HB   CYS   9          2HB       CYS   9 -10.445  -8.566  -0.250
   60    H    SER  10           H        SER  10 -13.589 -10.383   0.534
   61    HA   SER  10           HA       SER  10 -13.632 -12.756   2.150
   62   1HB   SER  10          1HB       SER  10 -15.574 -12.822   0.037
   63   2HB   SER  10          2HB       SER  10 -15.831 -12.561   1.779
   64    HG   SER  10           HG       SER  10 -16.512 -10.790   0.355
   65    H    ILE  11           H        ILE  11 -11.503 -13.486   1.224
   66    HA   ILE  11           HA       ILE  11 -12.026 -15.222  -1.091
   67    HB   ILE  11           HB       ILE  11  -9.216 -14.719  -0.898
   68   1HG1  ILE  11          1HG1      ILE  11 -10.885 -12.220  -1.305
   69   2HG1  ILE  11          2HG1      ILE  11  -9.901 -12.566   0.137
   70   1HG2  ILE  11          1HG2      ILE  11 -11.333 -14.214  -2.970
   71   2HG2  ILE  11          2HG2      ILE  11  -9.623 -13.892  -3.257
   72   3HG2  ILE  11          3HG2      ILE  11 -10.164 -15.532  -2.895
   73   1HD1  ILE  11          1HD1      ILE  11  -7.905 -12.678  -1.387
   74   2HD1  ILE  11          2HD1      ILE  11  -8.939 -12.064  -2.678
   75   3HD1  ILE  11          3HD1      ILE  11  -8.648 -11.086  -1.240
   76    H    ASP  12           H        ASP  12  -9.763 -16.738  -1.062
   77    HA   ASP  12           HA       ASP  12 -10.305 -18.365   1.257
   78   1HB   ASP  12          1HB       ASP  12  -8.857 -20.035   0.179
   79   2HB   ASP  12          2HB       ASP  12 -10.112 -19.429  -0.924
   80    H    ASP  13           H        ASP  13  -7.298 -19.295   0.820
   81    HA   ASP  13           HA       ASP  13  -6.397 -18.130   3.250
   82   1HB   ASP  13          1HB       ASP  13  -5.740 -20.408   2.371
   83   2HB   ASP  13          2HB       ASP  13  -4.689 -19.572   1.208
   84    H    TYR  14           H        TYR  14  -6.087 -15.986   3.264
   85    HA   TYR  14           HA       TYR  14  -3.972 -14.924   1.571
   86   1HB   TYR  14          1HB       TYR  14  -6.838 -14.036   1.509
   87   2HB   TYR  14          2HB       TYR  14  -5.561 -12.827   1.295
   88    HD1  TYR  14           1HD      TYR  14  -3.804 -13.306  -0.543
   89    HD2  TYR  14           2HD      TYR  14  -7.543 -15.317  -0.317
   90    HE1  TYR  14           1HE      TYR  14  -3.570 -13.984  -2.890
   91    HE2  TYR  14           2HE      TYR  14  -7.330 -15.989  -2.672
   92    HH   TYR  14           HH       TYR  14  -5.664 -16.314  -4.342
   93    H    LYS  15           H        LYS  15  -2.980 -13.079   2.399
   94    HA   LYS  15           HA       LYS  15  -3.740 -12.403   5.161
   95   1HB   LYS  15          1HB       LYS  15  -1.094 -12.857   3.859
   96   2HB   LYS  15          2HB       LYS  15  -1.194 -11.605   5.120
   97   1HG   LYS  15          1HG       LYS  15  -2.290 -14.355   5.638
   98   2HG   LYS  15          2HG       LYS  15  -0.540 -14.052   5.756
   99   1HD   LYS  15          1HD       LYS  15  -2.593 -12.361   7.199
  100   2HD   LYS  15          2HD       LYS  15  -1.887 -13.832   7.909
  101   1HE   LYS  15          1HE       LYS  15   0.258 -12.276   6.877
  102   2HE   LYS  15          2HE       LYS  15  -0.799 -11.176   7.788
  103   1HZ   LYS  15          1HZ       LYS  15  -0.075 -12.028   9.689
  104   2HZ   LYS  15          2HZ       LYS  15   1.081 -12.912   8.817
  105   3HZ   LYS  15          3HZ       LYS  15  -0.409 -13.617   9.201
  106    HA   PRO  16           HA       PRO  16  -4.356  -8.312   3.535
  107   1HB   PRO  16          1HB       PRO  16  -4.386  -7.325   6.305
  108   2HB   PRO  16          2HB       PRO  16  -5.729  -7.503   5.128
  109   1HG   PRO  16          1HG       PRO  16  -5.463  -9.021   7.356
  110   2HG   PRO  16          2HG       PRO  16  -6.343  -9.549   5.885
  111   1HD   PRO  16          1HD       PRO  16  -3.575 -10.243   6.875
  112   2HD   PRO  16          2HD       PRO  16  -4.781 -11.267   6.036
  113    H    TYR  17           H        TYR  17  -2.906  -6.923   2.826
  114    HA   TYR  17           HA       TYR  17  -0.502  -6.409   4.454
  115   1HB   TYR  17          1HB       TYR  17  -0.787  -6.960   1.510
  116   2HB   TYR  17          2HB       TYR  17   0.584  -6.020   2.123
  117    HD1  TYR  17           1HD      TYR  17  -0.950  -9.332   1.934
  118    HD2  TYR  17           2HD      TYR  17   2.263  -7.079   3.564
  119    HE1  TYR  17           1HE      TYR  17   0.219 -11.416   2.482
  120    HE2  TYR  17           2HE      TYR  17   3.448  -9.154   4.112
  121    HH   TYR  17           HH       TYR  17   3.158 -11.822   2.924
  122    H    CYS  18           H        CYS  18   0.282  -4.315   4.481
  123    HA   CYS  18           HA       CYS  18  -1.509  -2.283   3.371
  124   1HB   CYS  18          1HB       CYS  18  -0.671  -2.289   5.814
  125   2HB   CYS  18          2HB       CYS  18   0.885  -1.777   5.141
  126    H    CYS  19           H        CYS  19  -1.045  -1.655   1.373
  127    HA   CYS  19           HA       CYS  19   1.789  -1.259   0.684
  128   1HB   CYS  19          1HB       CYS  19  -0.325  -1.950  -1.350
  129   2HB   CYS  19          2HB       CYS  19   1.436  -2.037  -1.519
  130    H    GLN  20           H        GLN  20   2.229   0.512  -0.765
  131    HA   GLN  20           HA       GLN  20   0.488   2.747  -0.194
  132   1HB   GLN  20          1HB       GLN  20   3.202   2.415  -1.430
  133   2HB   GLN  20          2HB       GLN  20   2.315   3.943  -1.640
  134   1HG   GLN  20          1HG       GLN  20   3.460   4.479   0.244
  135   2HG   GLN  20          2HG       GLN  20   2.060   3.694   1.007
  136   1HE2  GLN  20          1HE2      GLN  20   2.767   2.595   2.700
  137   2HE2  GLN  20          2HE2      GLN  20   4.140   1.542   2.724
  138    H    SER  21           H        SER  21  -0.666   3.958  -1.642
  139    HA   SER  21           HA       SER  21  -1.249   2.619  -4.183
  140   1HB   SER  21          1HB       SER  21  -2.982   4.861  -3.504
  141   2HB   SER  21          2HB       SER  21  -3.400   3.159  -3.818
  142    HG   SER  21           HG       SER  21  -2.865   2.682  -1.657
  143    H    MET  22           H        MET  22  -1.485   3.836  -6.119
  144    HA   MET  22           HA       MET  22   0.114   6.314  -6.148
  145   1HB   MET  22          1HB       MET  22   0.279   3.999  -7.713
  146   2HB   MET  22          2HB       MET  22  -0.495   5.211  -8.762
  147   1HG   MET  22          1HG       MET  22   1.608   6.570  -7.522
  148   2HG   MET  22          2HG       MET  22   2.270   4.974  -7.912
  149   1HE   MET  22          1HE       MET  22   2.430   4.811 -11.672
  150   2HE   MET  22          2HE       MET  22   3.372   4.542 -10.204
  151   3HE   MET  22          3HE       MET  22   1.751   3.862 -10.347
  152    H    SER  23           H        SER  23  -2.340   6.630  -5.234
  153    HA   SER  23           HA       SER  23  -4.293   7.112  -7.281
  154   1HB   SER  23          1HB       SER  23  -5.047   8.315  -4.800
  155   2HB   SER  23          2HB       SER  23  -5.679   6.828  -5.547
  156    HG   SER  23           HG       SER  23  -4.011   7.121  -3.409
  157    H    GLY  24           H        GLY  24  -2.791   8.633  -8.428
  158   1HA   GLY  24          1HA       GLY  24  -2.694  11.314  -7.284
  159   2HA   GLY  24          2HA       GLY  24  -1.989  10.807  -8.814
  160    HA   PRO  25           HA       PRO  25  -5.510  13.035 -10.465
  161   1HB   PRO  25          1HB       PRO  25  -4.429  12.417 -13.122
  162   2HB   PRO  25          2HB       PRO  25  -4.502  13.979 -12.243
  163   1HG   PRO  25          1HG       PRO  25  -2.202  12.641 -12.759
  164   2HG   PRO  25          2HG       PRO  25  -2.407  13.793 -11.399
  165   1HD   PRO  25          1HD       PRO  25  -2.443  10.772 -11.440
  166   2HD   PRO  25          2HD       PRO  25  -1.780  11.892 -10.211
  167    H    ALA  26           H        ALA  26  -6.915  11.255  -9.774
  168    HA   ALA  26           HA       ALA  26  -7.302   8.984 -11.470
  169   1HB   ALA  26          1HB       ALA  26  -9.567   9.562  -9.783
  170   2HB   ALA  26          2HB       ALA  26  -8.450   8.199  -9.738
  171   3HB   ALA  26          3HB       ALA  26  -8.054   9.693  -8.886
  172    H    GLY  27           H        GLY  27  -9.081   8.519 -12.799
  173   1HA   GLY  27          1HA       GLY  27 -11.019   9.022 -14.021
  174   2HA   GLY  27          2HA       GLY  27 -10.944  10.675 -13.426
  175    H    SER  28           H        SER  28  -8.051   9.308 -14.651
  176    HA   SER  28           HA       SER  28  -7.891  11.280 -16.712
  177   1HB   SER  28          1HB       SER  28  -5.867   9.282 -17.011
  178   2HB   SER  28          2HB       SER  28  -5.706  10.933 -16.363
  179    HG   SER  28           HG       SER  28  -5.952  10.184 -14.330
  180    HA   PRO  29           HA       PRO  29  -9.882   8.517 -19.626
  181   1HB   PRO  29          1HB       PRO  29 -10.581  10.380 -21.451
  182   2HB   PRO  29          2HB       PRO  29 -11.350  10.290 -19.833
  183   1HG   PRO  29          1HG       PRO  29  -9.229  12.135 -20.796
  184   2HG   PRO  29          2HG       PRO  29 -10.661  12.495 -19.778
  185   1HD   PRO  29          1HD       PRO  29  -8.048  12.084 -18.863
  186   2HD   PRO  29          2HD       PRO  29  -9.525  11.889 -17.872
  187    H    GLY  30           H        GLY  30  -6.877   9.661 -19.742
  188   1HA   GLY  30          1HA       GLY  30  -6.477   8.902 -22.565
  189   2HA   GLY  30          2HA       GLY  30  -5.454  10.045 -21.707
  190    H    LEU  31           H        LEU  31  -6.675   6.769 -21.048
  191    HA   LEU  31           HA       LEU  31  -3.980   6.028 -20.147
  192   1HB   LEU  31          1HB       LEU  31  -6.673   5.364 -19.322
  193   2HB   LEU  31          2HB       LEU  31  -5.748   3.890 -19.698
  194    HG   LEU  31           HG       LEU  31  -4.711   6.017 -17.829
  195   1HD1  LEU  31          1HD1      LEU  31  -6.842   4.081 -17.407
  196   2HD1  LEU  31          2HD1      LEU  31  -5.513   3.910 -16.261
  197   3HD1  LEU  31          3HD1      LEU  31  -6.344   5.456 -16.419
  198   1HD2  LEU  31          1HD2      LEU  31  -3.975   3.197 -18.520
  199   2HD2  LEU  31          2HD2      LEU  31  -2.956   4.635 -18.473
  200   3HD2  LEU  31          3HD2      LEU  31  -3.515   3.905 -16.970
  201    H    LEU  32           H        LEU  32  -6.592   5.035 -22.287
  202    HA   LEU  32           HA       LEU  32  -6.728   3.617 -24.043
  203   1HB   LEU  32          1HB       LEU  32  -3.899   4.583 -24.182
  204   2HB   LEU  32          2HB       LEU  32  -4.400   3.247 -25.247
  205    HG   LEU  32           HG       LEU  32  -6.385   5.003 -25.745
  206   1HD1  LEU  32          1HD1      LEU  32  -5.274   6.648 -24.185
  207   2HD1  LEU  32          2HD1      LEU  32  -3.987   6.773 -25.384
  208   3HD1  LEU  32          3HD1      LEU  32  -5.636   7.240 -25.806
  209   1HD2  LEU  32          1HD2      LEU  32  -3.917   5.574 -27.239
  210   2HD2  LEU  32          2HD2      LEU  32  -4.375   3.876 -27.138
  211   3HD2  LEU  32          3HD2      LEU  32  -5.500   5.052 -27.816
  212    H    ASN  33           H        ASN  33  -4.975   1.660 -25.019
  213    HA   ASN  33           HA       ASN  33  -3.892   0.128 -22.844
  214   1HB   ASN  33          1HB       ASN  33  -5.338  -1.932 -23.677
  215   2HB   ASN  33          2HB       ASN  33  -5.923  -0.847 -22.397
  216   1HD2  ASN  33          1HD2      ASN  33  -6.064  -1.390 -25.898
  217   2HD2  ASN  33          2HD2      ASN  33  -7.660  -0.744 -26.106
  218    H    LEU  34           H        LEU  34  -2.319   0.991 -24.570
  219    HA   LEU  34           HA       LEU  34  -2.143  -0.453 -27.032
  220   1HB   LEU  34          1HB       LEU  34  -0.997   1.822 -26.045
  221   2HB   LEU  34          2HB       LEU  34   0.348   0.663 -25.917
  222    HG   LEU  34           HG       LEU  34  -0.624   0.240 -28.471
  223   1HD1  LEU  34          1HD1      LEU  34  -1.336   2.134 -29.447
  224   2HD1  LEU  34          2HD1      LEU  34  -1.806   2.576 -27.808
  225   3HD1  LEU  34          3HD1      LEU  34  -0.282   3.159 -28.473
  226   1HD2  LEU  34          1HD2      LEU  34   1.709   1.481 -27.197
  227   2HD2  LEU  34          2HD2      LEU  34   1.621   0.257 -28.464
  228   3HD2  LEU  34          3HD2      LEU  34   1.437   1.963 -28.873
  229    H    ILE  35           H        ILE  35  -0.052  -0.491 -24.159
  230    HA   ILE  35           HA       ILE  35   0.275  -3.392 -24.512
  231    HB   ILE  35           HB       ILE  35   2.433  -1.540 -23.476
  232   1HG1  ILE  35          1HG1      ILE  35   2.961  -2.936 -25.995
  233   2HG1  ILE  35          2HG1      ILE  35   1.625  -1.766 -26.114
  234   1HG2  ILE  35          1HG2      ILE  35   2.092  -4.427 -23.591
  235   2HG2  ILE  35          2HG2      ILE  35   3.599  -3.884 -24.327
  236   3HG2  ILE  35          3HG2      ILE  35   3.229  -3.457 -22.657
  237   1HD1  ILE  35          1HD1      ILE  35   3.588  -0.598 -26.709
  238   2HD1  ILE  35          2HD1      ILE  35   3.203  -0.077 -25.068
  239   3HD1  ILE  35          3HD1      ILE  35   4.491  -1.253 -25.343
  240    HA   PRO  36           HA       PRO  36  -1.534  -3.366 -20.438
  241   1HB   PRO  36          1HB       PRO  36  -0.743  -5.954 -19.750
  242   2HB   PRO  36          2HB       PRO  36  -2.189  -5.523 -20.720
  243   1HG   PRO  36          1HG       PRO  36   0.501  -6.389 -21.663
  244   2HG   PRO  36          2HG       PRO  36  -1.115  -6.918 -22.235
  245   1HD   PRO  36          1HD       PRO  36   0.356  -5.129 -23.608
  246   2HD   PRO  36          2HD       PRO  36  -1.414  -4.917 -23.443
  247    H    VAL  37           H        VAL  37  -0.666  -2.363 -18.757
  248    HA   VAL  37           HA       VAL  37   2.124  -2.958 -18.037
  249    HB   VAL  37           HB       VAL  37   0.596  -0.565 -17.038
  250   1HG1  VAL  37          1HG1      VAL  37   2.785  -1.344 -16.019
  251   2HG1  VAL  37          2HG1      VAL  37   3.547  -0.870 -17.537
  252   3HG1  VAL  37          3HG1      VAL  37   2.721   0.337 -16.551
  253   1HG2  VAL  37          1HG2      VAL  37   1.633   0.748 -18.870
  254   2HG2  VAL  37          2HG2      VAL  37   2.154  -0.765 -19.615
  255   3HG2  VAL  37          3HG2      VAL  37   0.434  -0.415 -19.438
  256    H    ASP  38           H        ASP  38   1.992  -4.607 -16.631
  257    HA   ASP  38           HA       ASP  38   0.002  -4.468 -14.476
  258   1HB   ASP  38          1HB       ASP  38   0.017  -6.528 -15.846
  259   2HB   ASP  38          2HB       ASP  38   1.709  -6.807 -15.380
  260    H    LEU  39           H        LEU  39   0.570  -4.487 -12.355
  261    HA   LEU  39           HA       LEU  39   3.405  -4.758 -11.650
  262   1HB   LEU  39          1HB       LEU  39   1.889  -2.331 -11.591
  263   2HB   LEU  39          2HB       LEU  39   2.227  -2.829  -9.916
  264    HG   LEU  39           HG       LEU  39   4.683  -3.122 -10.983
  265   1HD1  LEU  39          1HD1      LEU  39   3.305  -1.855 -13.045
  266   2HD1  LEU  39          2HD1      LEU  39   4.235  -0.576 -12.262
  267   3HD1  LEU  39          3HD1      LEU  39   5.053  -2.013 -12.869
  268   1HD2  LEU  39          1HD2      LEU  39   4.131  -1.859  -8.982
  269   2HD2  LEU  39          2HD2      LEU  39   5.200  -0.926 -10.028
  270   3HD2  LEU  39          3HD2      LEU  39   3.479  -0.551  -9.966
  271    H    SER  40           H        SER  40   1.297  -6.642 -11.481
  272    HA   SER  40           HA       SER  40   0.472  -6.573  -8.664
  273   1HB   SER  40          1HB       SER  40  -0.617  -8.582 -10.590
  274   2HB   SER  40          2HB       SER  40  -1.425  -7.738  -9.247
  275    HG   SER  40           HG       SER  40  -1.080  -6.972 -11.906
  276    H    ALA  41           H        ALA  41   2.772  -8.002 -10.632
  277    HA   ALA  41           HA       ALA  41   2.843 -10.498  -9.091
  278   1HB   ALA  41          1HB       ALA  41   4.712 -11.020 -10.806
  279   2HB   ALA  41          2HB       ALA  41   3.029 -11.039 -11.335
  280   3HB   ALA  41          3HB       ALA  41   4.052  -9.646 -11.694
  281    H    SER  42           H        SER  42   3.811  -7.591  -8.487
  282    HA   SER  42           HA       SER  42   6.223  -8.457  -7.084
  283   1HB   SER  42          1HB       SER  42   6.198  -5.760  -8.422
  284   2HB   SER  42          2HB       SER  42   7.587  -6.715  -7.849
  285    HG   SER  42           HG       SER  42   7.281  -8.134  -9.578
  286    H    LEU  43           H        LEU  43   5.581  -8.189  -5.012
  287    HA   LEU  43           HA       LEU  43   4.348  -5.611  -4.333
  288   1HB   LEU  43          1HB       LEU  43   3.321  -8.326  -3.891
  289   2HB   LEU  43          2HB       LEU  43   3.330  -7.312  -2.429
  290    HG   LEU  43           HG       LEU  43   1.201  -6.987  -3.350
  291   1HD1  LEU  43          1HD1      LEU  43   3.054  -4.785  -4.190
  292   2HD1  LEU  43          2HD1      LEU  43   1.307  -4.665  -4.398
  293   3HD1  LEU  43          3HD1      LEU  43   1.990  -4.861  -2.784
  294   1HD2  LEU  43          1HD2      LEU  43   1.413  -8.046  -5.466
  295   2HD2  LEU  43          2HD2      LEU  43   0.875  -6.395  -5.770
  296   3HD2  LEU  43          3HD2      LEU  43   2.566  -6.835  -6.030
  297    H    GLY  44           H        GLY  44   5.454  -4.522  -2.909
  298   1HA   GLY  44          1HA       GLY  44   7.121  -6.011  -0.974
  299   2HA   GLY  44          2HA       GLY  44   7.544  -4.423  -1.614
  300    H    CYS  45           H        CYS  45   5.385  -6.180   0.510
  301    HA   CYS  45           HA       CYS  45   4.516  -3.625   1.662
  302   1HB   CYS  45          1HB       CYS  45   2.745  -6.050   1.363
  303   2HB   CYS  45          2HB       CYS  45   2.272  -4.432   1.907
  304    H    VAL  46           H        VAL  46   3.393  -3.985   3.802
  305    HA   VAL  46           HA       VAL  46   4.806  -6.057   5.345
  306    HB   VAL  46           HB       VAL  46   4.312  -4.405   7.310
  307   1HG1  VAL  46          1HG1      VAL  46   6.530  -4.417   7.247
  308   2HG1  VAL  46          2HG1      VAL  46   6.519  -4.756   5.517
  309   3HG1  VAL  46          3HG1      VAL  46   6.473  -3.089   6.089
  310   1HG2  VAL  46          1HG2      VAL  46   2.999  -2.896   5.703
  311   2HG2  VAL  46          2HG2      VAL  46   4.133  -2.125   6.812
  312   3HG2  VAL  46          3HG2      VAL  46   4.579  -2.365   5.124
  313    H    VAL  47           H        VAL  47   3.614  -6.786   7.272
  314    HA   VAL  47           HA       VAL  47   1.062  -7.692   6.485
  315    HB   VAL  47           HB       VAL  47   2.199  -7.757   9.279
  316   1HG1  VAL  47          1HG1      VAL  47   0.842  -9.946   9.257
  317   2HG1  VAL  47          2HG1      VAL  47  -0.026  -8.418   9.430
  318   3HG1  VAL  47          3HG1      VAL  47   0.014  -9.240   7.868
  319   1HG2  VAL  47          1HG2      VAL  47   2.468 -10.138   7.582
  320   2HG2  VAL  47          2HG2      VAL  47   3.468  -8.767   7.104
  321   3HG2  VAL  47          3HG2      VAL  47   3.602  -9.430   8.733
  322    H    GLY  48           H        GLY  48  -0.907  -6.875   6.770
  323   1HA   GLY  48          1HA       GLY  48  -1.233  -4.275   7.914
  324   2HA   GLY  48          2HA       GLY  48  -2.508  -5.299   7.269
  325    H    VAL  49           H        VAL  49  -1.905  -3.693   9.859
  326    HA   VAL  49           HA       VAL  49  -2.258  -5.764  11.855
  327    HB   VAL  49           HB       VAL  49  -2.428  -2.828  12.448
  328   1HG1  VAL  49          1HG1      VAL  49  -0.898  -4.455  14.266
  329   2HG1  VAL  49          2HG1      VAL  49  -2.357  -3.507  14.564
  330   3HG1  VAL  49          3HG1      VAL  49  -2.487  -5.168  13.978
  331   1HG2  VAL  49          1HG2      VAL  49   0.243  -4.047  12.652
  332   2HG2  VAL  49          2HG2      VAL  49  -0.330  -3.756  11.009
  333   3HG2  VAL  49          3HG2      VAL  49  -0.231  -2.422  12.158
  334    H    ILE  50           H        ILE  50  -4.200  -6.569  12.184
  335    HA   ILE  50           HA       ILE  50  -6.609  -5.369  11.349
  336    HB   ILE  50           HB       ILE  50  -6.031  -7.650  13.229
  337   1HG1  ILE  50          1HG1      ILE  50  -7.635  -8.300  10.954
  338   2HG1  ILE  50          2HG1      ILE  50  -6.237  -7.341  10.410
  339   1HG2  ILE  50          1HG2      ILE  50  -8.544  -6.196  12.831
  340   2HG2  ILE  50          2HG2      ILE  50  -8.668  -7.942  12.605
  341   3HG2  ILE  50          3HG2      ILE  50  -8.057  -7.288  14.127
  342   1HD1  ILE  50          1HD1      ILE  50  -5.393  -9.347  12.292
  343   2HD1  ILE  50          2HD1      ILE  50  -6.319 -10.085  10.982
  344   3HD1  ILE  50          3HD1      ILE  50  -4.902  -9.101  10.616
  345    H    GLY  51           H        GLY  51  -7.623  -3.703  12.199
  346   1HA   GLY  51          1HA       GLY  51  -8.735  -2.694  14.098
  347   2HA   GLY  51          2HA       GLY  51  -7.401  -3.238  15.109
  348    H    SER  52           H        SER  52  -5.673  -2.378  12.672
  349    HA   SER  52           HA       SER  52  -5.462   0.427  13.504
  350   1HB   SER  52          1HB       SER  52  -3.457  -1.347  12.073
  351   2HB   SER  52          2HB       SER  52  -3.174   0.330  12.599
  352    HG   SER  52           HG       SER  52  -3.604  -0.412  14.773
  353    H    GLN  53           H        GLN  53  -4.739   1.946  11.732
  354    HA   GLN  53           HA       GLN  53  -6.395   1.390   9.361
  355   1HB   GLN  53          1HB       GLN  53  -6.454   3.917   9.132
  356   2HB   GLN  53          2HB       GLN  53  -7.342   3.226  10.510
  357   1HG   GLN  53          1HG       GLN  53  -5.644   3.890  12.043
  358   2HG   GLN  53          2HG       GLN  53  -4.536   4.327  10.725
  359   1HE2  GLN  53          1HE2      GLN  53  -7.912   5.054  11.598
  360   2HE2  GLN  53          2HE2      GLN  53  -7.755   6.774  11.423
  361    H    CYS  54           H        CYS  54  -5.646   1.937   7.324
  362    HA   CYS  54           HA       CYS  54  -2.786   2.631   7.158
  363   1HB   CYS  54          1HB       CYS  54  -4.377   0.513   5.806
  364   2HB   CYS  54          2HB       CYS  54  -3.191   1.370   4.807
  365    H    GLY  55           H        GLY  55  -2.478   4.565   6.288
  366   1HA   GLY  55          1HA       GLY  55  -4.500   5.863   4.673
  367   2HA   GLY  55          2HA       GLY  55  -2.917   6.508   5.094
  368    H    ALA  56           H        ALA  56  -3.954   3.582   3.398
  369    HA   ALA  56           HA       ALA  56  -2.798   4.411   0.902
  370   1HB   ALA  56          1HB       ALA  56  -1.229   2.901   2.820
  371   2HB   ALA  56          2HB       ALA  56  -1.400   2.051   1.285
  372   3HB   ALA  56          3HB       ALA  56  -0.729   3.681   1.321
  373    H    SER  57           H        SER  57  -2.341   1.289   0.599
  374    HA   SER  57           HA       SER  57  -5.194   0.697   0.159
  375   1HB   SER  57          1HB       SER  57  -3.097  -0.886  -1.251
  376   2HB   SER  57          2HB       SER  57  -4.708  -0.376  -1.809
  377    HG   SER  57           HG       SER  57  -3.599   1.049  -2.889
  378    H    VAL  58           H        VAL  58  -6.020  -1.239   0.826
  379    HA   VAL  58           HA       VAL  58  -4.262  -2.945   2.446
  380    HB   VAL  58           HB       VAL  58  -7.284  -3.041   2.307
  381   1HG1  VAL  58          1HG1      VAL  58  -7.181  -4.439   4.205
  382   2HG1  VAL  58          2HG1      VAL  58  -5.972  -5.067   3.086
  383   3HG1  VAL  58          3HG1      VAL  58  -5.472  -4.089   4.468
  384   1HG2  VAL  58          1HG2      VAL  58  -5.677  -1.800   4.525
  385   2HG2  VAL  58          2HG2      VAL  58  -6.306  -0.857   3.174
  386   3HG2  VAL  58          3HG2      VAL  58  -7.417  -1.711   4.244
  387    H    LYS  59           H        LYS  59  -3.418  -4.551   1.325
  388    HA   LYS  59           HA       LYS  59  -4.888  -5.558  -1.008
  389   1HB   LYS  59          1HB       LYS  59  -2.369  -4.575  -0.907
  390   2HB   LYS  59          2HB       LYS  59  -2.047  -6.303  -0.625
  391   1HG   LYS  59          1HG       LYS  59  -3.077  -6.912  -2.688
  392   2HG   LYS  59          2HG       LYS  59  -3.698  -5.263  -2.932
  393   1HD   LYS  59          1HD       LYS  59  -0.916  -4.991  -2.602
  394   2HD   LYS  59          2HD       LYS  59  -1.144  -6.396  -3.671
  395   1HE   LYS  59          1HE       LYS  59  -2.985  -4.421  -4.524
  396   2HE   LYS  59          2HE       LYS  59  -1.440  -3.586  -4.254
  397   1HZ   LYS  59          1HZ       LYS  59  -0.993  -4.307  -6.318
  398   2HZ   LYS  59          2HZ       LYS  59  -2.172  -5.518  -6.283
  399   3HZ   LYS  59          3HZ       LYS  59  -0.657  -5.793  -5.576
  400    H    CYS  60           H        CYS  60  -4.852  -7.817  -1.462
  401    HA   CYS  60           HA       CYS  60  -4.432  -9.503   0.920
  402   1HB   CYS  60          1HB       CYS  60  -6.174 -10.527  -1.244
  403   2HB   CYS  60          2HB       CYS  60  -6.353 -10.652   0.514
  404    H    CYS  61           H        CYS  61  -2.528 -10.477   0.644
  405    HA   CYS  61           HA       CYS  61  -1.950 -11.585  -2.017
  406   1HB   CYS  61          1HB       CYS  61  -0.581  -9.500  -0.899
  407   2HB   CYS  61          2HB       CYS  61   0.383 -10.882  -0.353
  408    H    LYS  62           H        LYS  62  -1.268 -13.608  -2.112
  409    HA   LYS  62           HA       LYS  62  -0.617 -14.988   0.400
  410   1HB   LYS  62          1HB       LYS  62  -2.769 -15.714  -0.649
  411   2HB   LYS  62          2HB       LYS  62  -1.844 -16.210  -2.087
  412   1HG   LYS  62          1HG       LYS  62  -2.358 -18.124  -0.663
  413   2HG   LYS  62          2HG       LYS  62  -0.604 -17.833  -0.735
  414   1HD   LYS  62          1HD       LYS  62  -1.644 -16.322   1.445
  415   2HD   LYS  62          2HD       LYS  62  -2.312 -17.968   1.558
  416   1HE   LYS  62          1HE       LYS  62   0.507 -18.008   0.854
  417   2HE   LYS  62          2HE       LYS  62   0.229 -17.111   2.363
  418   1HZ   LYS  62          1HZ       LYS  62   0.038 -19.038   3.396
  419   2HZ   LYS  62          2HZ       LYS  62   0.222 -19.894   1.946
  420   3HZ   LYS  62          3HZ       LYS  62  -1.329 -19.430   2.467
  421    H    ASP  63           H        ASP  63   1.342 -15.655   0.527
  422    HA   ASP  63           HA       ASP  63   2.762 -17.101  -1.398
  423   1HB   ASP  63          1HB       ASP  63   3.015 -14.991  -2.598
  424   2HB   ASP  63          2HB       ASP  63   3.579 -14.187  -1.117
  425    H    ASP  64           H        ASP  64   4.860 -17.760  -0.548
  426    HA   ASP  64           HA       ASP  64   4.938 -17.620   2.336
  427   1HB   ASP  64          1HB       ASP  64   6.005 -19.364   0.298
  428   2HB   ASP  64          2HB       ASP  64   7.308 -18.840   1.387
  429    H    VAL  65           H        VAL  65   5.425 -15.593   2.932
  430    HA   VAL  65           HA       VAL  65   7.107 -13.778   1.728
  431    HB   VAL  65           HB       VAL  65   7.427 -13.133   4.369
  432   1HG1  VAL  65          1HG1      VAL  65   6.475 -11.859   2.352
  433   2HG1  VAL  65          2HG1      VAL  65   4.906 -12.451   2.899
  434   3HG1  VAL  65          3HG1      VAL  65   5.882 -11.436   3.959
  435   1HG2  VAL  65          1HG2      VAL  65   4.606 -13.946   4.441
  436   2HG2  VAL  65          2HG2      VAL  65   5.761 -15.275   4.542
  437   3HG2  VAL  65          3HG2      VAL  65   5.826 -13.961   5.716
  438    H    THR  66           H        THR  66   9.211 -13.565   1.508
  439    HA   THR  66           HA       THR  66  10.930 -15.389   3.035
  440    HB   THR  66           HB       THR  66  12.202 -14.149   0.739
  441    HG1  THR  66           1HG      THR  66   9.718 -15.495   0.402
  442   1HG2  THR  66          1HG2      THR  66  12.451 -16.445   2.182
  443   2HG2  THR  66          2HG2      THR  66  13.169 -16.184   0.592
  444   3HG2  THR  66          3HG2      THR  66  11.629 -17.032   0.737
  445    H    ASN  67           H        ASN  67  12.610 -14.629   4.211
  446    HA   ASN  67           HA       ASN  67  12.786 -11.741   4.549
  447   1HB   ASN  67          1HB       ASN  67  13.048 -12.278   6.705
  448   2HB   ASN  67          2HB       ASN  67  13.042 -14.002   6.275
  449   1HD2  ASN  67          1HD2      ASN  67  14.954 -15.119   6.216
  450   2HD2  ASN  67          2HD2      ASN  67  16.469 -14.457   6.744
  451    H    THR  68           H        THR  68  14.510 -14.390   3.255
  452    HA   THR  68           HA       THR  68  17.066 -13.090   3.136
  453    HB   THR  68           HB       THR  68  17.159 -15.173   1.329
  454    HG1  THR  68           1HG      THR  68  16.026 -16.859   2.676
  455   1HG2  THR  68          1HG2      THR  68  17.643 -16.239   3.917
  456   2HG2  THR  68          2HG2      THR  68  18.137 -14.546   3.929
  457   3HG2  THR  68          3HG2      THR  68  18.817 -15.652   2.738
  458    H    GLY  69           H        GLY  69  16.563 -11.142   2.022
  459   1HA   GLY  69          1HA       GLY  69  17.204 -11.055  -0.636
  460   2HA   GLY  69          2HA       GLY  69  15.452 -11.193  -0.621
  461    H    ASN  70           H        ASN  70  14.822  -9.658   1.594
  462    HA   ASN  70           HA       ASN  70  15.945  -7.020   0.975
  463   1HB   ASN  70          1HB       ASN  70  13.546  -7.750  -0.072
  464   2HB   ASN  70          2HB       ASN  70  13.027  -7.069   1.484
  465   1HD2  ASN  70          1HD2      ASN  70  13.909  -6.388  -1.687
  466   2HD2  ASN  70          2HD2      ASN  70  14.086  -4.665  -1.545
  467    H    SER  71           H        SER  71  15.121  -5.353   2.599
  468    HA   SER  71           HA       SER  71  15.892  -6.259   5.176
  469   1HB   SER  71          1HB       SER  71  14.577  -3.662   5.147
  470   2HB   SER  71          2HB       SER  71  16.267  -4.077   5.524
  471    HG   SER  71           HG       SER  71  16.579  -3.035   3.686
  472    H    PHE  72           H        PHE  72  12.871  -6.036   3.586
  473    HA   PHE  72           HA       PHE  72  11.501  -6.655   6.115
  474   1HB   PHE  72          1HB       PHE  72   9.510  -5.529   5.347
  475   2HB   PHE  72          2HB       PHE  72  10.872  -4.400   5.248
  476    HD1  PHE  72           1HD      PHE  72  11.915  -3.960   2.986
  477    HD2  PHE  72           2HD      PHE  72   8.251  -6.073   3.447
  478    HE1  PHE  72           1HE      PHE  72  11.376  -3.537   0.621
  479    HE2  PHE  72           2HE      PHE  72   7.706  -5.663   1.089
  480    HZ   PHE  72           HZ       PHE  72   9.273  -4.394  -0.332
  481    H    LEU  73           H        LEU  73   9.412  -7.864   5.675
  482    HA   LEU  73           HA       LEU  73   9.986 -10.231   4.251
  483   1HB   LEU  73          1HB       LEU  73   7.367 -10.508   4.605
  484   2HB   LEU  73          2HB       LEU  73   8.525 -10.686   5.945
  485    HG   LEU  73           HG       LEU  73   7.809  -7.950   5.832
  486   1HD1  LEU  73          1HD1      LEU  73   5.324  -8.256   6.300
  487   2HD1  LEU  73          2HD1      LEU  73   5.839  -8.313   4.615
  488   3HD1  LEU  73          3HD1      LEU  73   5.478  -9.809   5.478
  489   1HD2  LEU  73          1HD2      LEU  73   7.540  -8.252   8.048
  490   2HD2  LEU  73          2HD2      LEU  73   6.522  -9.678   7.841
  491   3HD2  LEU  73          3HD2      LEU  73   8.277  -9.820   7.716
  492    H    ILE  74           H        ILE  74  10.189 -10.197   2.098
  493    HA   ILE  74           HA       ILE  74   8.483  -8.499   0.490
  494    HB   ILE  74           HB       ILE  74  10.912  -8.730  -0.014
  495   1HG1  ILE  74          1HG1      ILE  74  10.190  -9.633  -2.551
  496   2HG1  ILE  74          2HG1      ILE  74   8.685  -8.971  -1.871
  497   1HG2  ILE  74          1HG2      ILE  74  10.290 -11.509   0.067
  498   2HG2  ILE  74          2HG2      ILE  74  10.924 -11.104  -1.528
  499   3HG2  ILE  74          3HG2      ILE  74  11.863 -10.724  -0.084
  500   1HD1  ILE  74          1HD1      ILE  74  11.136  -7.329  -1.568
  501   2HD1  ILE  74          2HD1      ILE  74  10.460  -7.475  -3.190
  502   3HD1  ILE  74          3HD1      ILE  74   9.469  -6.841  -1.876
  503    H    ILE  75           H        ILE  75   6.924  -9.166  -0.895
  504    HA   ILE  75           HA       ILE  75   6.108 -11.983  -0.689
  505    HB   ILE  75           HB       ILE  75   4.026 -10.543  -1.913
  506   1HG1  ILE  75          1HG1      ILE  75   5.288  -8.535  -0.874
  507   2HG1  ILE  75          2HG1      ILE  75   3.530  -8.668  -0.628
  508   1HG2  ILE  75          1HG2      ILE  75   3.250 -10.934   0.721
  509   2HG2  ILE  75          2HG2      ILE  75   3.052 -12.064  -0.625
  510   3HG2  ILE  75          3HG2      ILE  75   4.467 -12.176   0.426
  511   1HD1  ILE  75          1HD1      ILE  75   5.391  -8.218   1.333
  512   2HD1  ILE  75          2HD1      ILE  75   3.754  -8.824   1.592
  513   3HD1  ILE  75          3HD1      ILE  75   5.104  -9.952   1.476
  514    H    ASN  76           H        ASN  76   6.134 -13.214  -2.470
  515    HA   ASN  76           HA       ASN  76   7.269 -12.181  -4.881
  516   1HB   ASN  76          1HB       ASN  76   6.088 -14.854  -4.115
  517   2HB   ASN  76          2HB       ASN  76   6.651 -14.517  -5.767
  518   1HD2  ASN  76          1HD2      ASN  76   7.584 -14.971  -2.444
  519   2HD2  ASN  76          2HD2      ASN  76   9.284 -15.149  -2.733
  520    H    ALA  77           H        ALA  77   4.156 -12.281  -3.634
  521    HA   ALA  77           HA       ALA  77   2.128 -11.635  -4.396
  522   1HB   ALA  77          1HB       ALA  77   3.727  -9.782  -5.285
  523   2HB   ALA  77          2HB       ALA  77   3.357 -10.484  -6.860
  524   3HB   ALA  77          3HB       ALA  77   2.058  -9.853  -5.848
  525    H    ALA  78           H        ALA  78   3.232 -14.231  -5.229
  526    HA   ALA  78           HA       ALA  78   2.489 -14.867  -7.856
  527   1HB   ALA  78          1HB       ALA  78   2.280 -16.792  -5.562
  528   2HB   ALA  78          2HB       ALA  78   2.718 -17.119  -7.238
  529   3HB   ALA  78          3HB       ALA  78   3.840 -16.257  -6.184
  530    H    ASN  79           H        ASN  79   0.678 -14.783  -4.844
  531    HA   ASN  79           HA       ASN  79  -1.815 -15.011  -6.406
  532   1HB   ASN  79          1HB       ASN  79  -1.602 -15.725  -3.477
  533   2HB   ASN  79          2HB       ASN  79  -2.869 -16.177  -4.638
  534   1HD2  ASN  79          1HD2      ASN  79   0.391 -16.828  -3.538
  535   2HD2  ASN  79          2HD2      ASN  79   0.542 -18.385  -4.291
  536    H    CYS  80           H        CYS  80  -1.793 -12.677  -6.637
  537    HA   CYS  80           HA       CYS  80  -2.377 -11.310  -4.101
  538   1HB   CYS  80          1HB       CYS  80  -0.135 -10.872  -5.655
  539   2HB   CYS  80          2HB       CYS  80  -1.235  -9.584  -6.173
  540    H    VAL  81           H        VAL  81  -4.181 -10.172  -4.016
  541    HA   VAL  81           HA       VAL  81  -5.433  -9.269  -6.515
  542    HB   VAL  81           HB       VAL  81  -7.583  -9.856  -4.837
  543   1HG1  VAL  81          1HG1      VAL  81  -6.661 -11.631  -7.075
  544   2HG1  VAL  81          2HG1      VAL  81  -8.309 -11.237  -6.590
  545   3HG1  VAL  81          3HG1      VAL  81  -7.301 -10.011  -7.356
  546   1HG2  VAL  81          1HG2      VAL  81  -7.043 -11.571  -3.531
  547   2HG2  VAL  81          2HG2      VAL  81  -6.753 -12.532  -4.981
  548   3HG2  VAL  81          3HG2      VAL  81  -5.425 -11.650  -4.228
  549    H    ALA  82           H        ALA  82  -6.666  -7.408  -6.336
  550    HA   ALA  82           HA       ALA  82  -7.228  -6.172  -3.820
  551   1HB   ALA  82          1HB       ALA  82  -5.887  -4.162  -4.141
  552   2HB   ALA  82          2HB       ALA  82  -4.853  -5.589  -4.034
  553   3HB   ALA  82          3HB       ALA  82  -5.179  -4.851  -5.603
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -11.398   6.531   7.932
    2   2H    ALA   1          2H        ALA   1 -12.322   5.131   8.154
    3   3H    ALA   1          3H        ALA   1 -12.758   6.251   6.959
    4    HA   ALA   1           HA       ALA   1 -11.394   5.394   5.473
    5   1HB   ALA   1          1HB       ALA   1  -9.436   6.393   6.224
    6   2HB   ALA   1          2HB       ALA   1  -9.426   5.471   7.726
    7   3HB   ALA   1          3HB       ALA   1  -9.022   4.678   6.204
    8    H    THR   2           H        THR   2  -9.956   3.238   5.161
    9    HA   THR   2           HA       THR   2 -11.718   1.100   5.938
   10    HB   THR   2           HB       THR   2  -9.174   0.462   4.580
   11    HG1  THR   2           1HG      THR   2 -10.302   1.388   2.574
   12   1HG2  THR   2          1HG2      THR   2 -12.016  -0.340   4.505
   13   2HG2  THR   2          2HG2      THR   2 -10.556  -1.318   4.354
   14   3HG2  THR   2          3HG2      THR   2 -11.154  -0.406   2.968
   15    H    THR   3           H        THR   3 -11.317  -0.513   7.380
   16    HA   THR   3           HA       THR   3  -8.964  -0.130   9.105
   17    HB   THR   3           HB       THR   3 -11.094  -1.989   9.962
   18    HG1  THR   3           1HG      THR   3 -11.645   0.556   9.100
   19   1HG2  THR   3          1HG2      THR   3  -9.662  -1.606  11.695
   20   2HG2  THR   3          2HG2      THR   3 -10.771  -0.263  11.979
   21   3HG2  THR   3          3HG2      THR   3  -9.247   0.012  11.135
   22    H    ILE   4           H        ILE   4  -7.477  -1.728   9.404
   23    HA   ILE   4           HA       ILE   4  -7.564  -3.956   7.565
   24    HB   ILE   4           HB       ILE   4  -5.465  -3.327   9.649
   25   1HG1  ILE   4          1HG1      ILE   4  -5.589  -2.614   6.704
   26   2HG1  ILE   4          2HG1      ILE   4  -5.721  -1.475   8.066
   27   1HG2  ILE   4          1HG2      ILE   4  -5.640  -5.685   8.655
   28   2HG2  ILE   4          2HG2      ILE   4  -5.100  -4.950   7.147
   29   3HG2  ILE   4          3HG2      ILE   4  -4.074  -4.881   8.581
   30   1HD1  ILE   4          1HD1      ILE   4  -3.450  -1.766   8.646
   31   2HD1  ILE   4          2HD1      ILE   4  -3.283  -3.188   7.619
   32   3HD1  ILE   4          3HD1      ILE   4  -3.474  -1.592   6.890
   33    H    GLY   5           H        GLY   5  -8.334  -5.879   8.004
   34   1HA   GLY   5          1HA       GLY   5  -8.121  -6.966  10.702
   35   2HA   GLY   5          2HA       GLY   5  -9.732  -6.856  10.002
   36    HA   PRO   6           HA       PRO   6  -7.610 -10.945   8.872
   37   1HB   PRO   6          1HB       PRO   6  -9.776 -12.505   9.636
   38   2HB   PRO   6          2HB       PRO   6  -8.390 -12.080  10.692
   39   1HG   PRO   6          1HG       PRO   6 -11.065 -10.771  10.514
   40   2HG   PRO   6          2HG       PRO   6 -10.159 -11.272  11.979
   41   1HD   PRO   6          1HD       PRO   6 -10.185  -8.708  11.156
   42   2HD   PRO   6          2HD       PRO   6  -8.670  -9.446  11.759
   43    H    ASN   7           H        ASN   7 -10.802  -9.580   8.413
   44    HA   ASN   7           HA       ASN   7 -10.954 -10.868   5.766
   45   1HB   ASN   7          1HB       ASN   7 -13.333  -9.682   7.195
   46   2HB   ASN   7          2HB       ASN   7 -13.307 -10.885   5.888
   47   1HD2  ASN   7          1HD2      ASN   7 -13.808 -10.462   9.111
   48   2HD2  ASN   7          2HD2      ASN   7 -13.515 -12.079   9.668
   49    H    THR   8           H        THR   8  -9.390  -8.925   5.483
   50    HA   THR   8           HA       THR   8 -10.504  -6.302   5.406
   51    HB   THR   8           HB       THR   8  -8.249  -6.524   3.665
   52    HG1  THR   8           1HG      THR   8  -7.783  -7.723   6.210
   53   1HG2  THR   8          1HG2      THR   8  -9.138  -4.806   5.548
   54   2HG2  THR   8          2HG2      THR   8  -7.486  -4.806   4.926
   55   3HG2  THR   8          3HG2      THR   8  -7.857  -5.621   6.446
   56    H    CYS   9           H        CYS   9  -9.238  -8.282   2.741
   57    HA   CYS   9           HA       CYS   9 -11.064  -6.945   0.897
   58   1HB   CYS   9          1HB       CYS   9  -9.157  -8.991  -0.091
   59   2HB   CYS   9          2HB       CYS   9  -9.559  -7.398  -0.754
   60    H    SER  10           H        SER  10 -12.261  -8.277  -0.684
   61    HA   SER  10           HA       SER  10 -13.583 -10.418   0.738
   62   1HB   SER  10          1HB       SER  10 -14.199  -9.332  -2.023
   63   2HB   SER  10          2HB       SER  10 -15.273 -10.295  -0.980
   64    HG   SER  10           HG       SER  10 -14.653  -7.585  -0.898
   65    H    ILE  11           H        ILE  11 -11.985 -12.000   0.749
   66    HA   ILE  11           HA       ILE  11 -11.873 -13.590  -1.697
   67    HB   ILE  11           HB       ILE  11  -9.347 -14.010  -0.743
   68   1HG1  ILE  11          1HG1      ILE  11  -8.445 -11.555  -0.758
   69   2HG1  ILE  11          2HG1      ILE  11 -10.103 -11.139  -0.261
   70   1HG2  ILE  11          1HG2      ILE  11 -10.348 -12.196  -2.917
   71   2HG2  ILE  11          2HG2      ILE  11  -8.640 -12.584  -2.706
   72   3HG2  ILE  11          3HG2      ILE  11  -9.802 -13.867  -3.051
   73   1HD1  ILE  11          1HD1      ILE  11  -8.057 -12.777   1.210
   74   2HD1  ILE  11          2HD1      ILE  11  -8.911 -11.329   1.745
   75   3HD1  ILE  11          3HD1      ILE  11  -9.773 -12.861   1.605
   76    H    ASP  12           H        ASP  12 -10.305 -15.628  -0.907
   77    HA   ASP  12           HA       ASP  12 -11.897 -17.086   0.923
   78   1HB   ASP  12          1HB       ASP  12 -10.664 -18.180  -0.877
   79   2HB   ASP  12          2HB       ASP  12  -9.123 -17.630  -0.183
   80    H    ASP  13           H        ASP  13  -8.434 -16.979   1.339
   81    HA   ASP  13           HA       ASP  13  -8.582 -15.505   3.828
   82   1HB   ASP  13          1HB       ASP  13  -8.822 -17.491   4.970
   83   2HB   ASP  13          2HB       ASP  13  -8.081 -18.445   3.667
   84    H    TYR  14           H        TYR  14  -7.081 -14.016   3.496
   85    HA   TYR  14           HA       TYR  14  -4.600 -14.806   2.126
   86   1HB   TYR  14          1HB       TYR  14  -6.554 -12.654   1.365
   87   2HB   TYR  14          2HB       TYR  14  -4.831 -12.437   1.014
   88    HD1  TYR  14           1HD      TYR  14  -3.975 -13.261  -0.965
   89    HD2  TYR  14           2HD      TYR  14  -7.605 -14.921   0.495
   90    HE1  TYR  14           1HE      TYR  14  -4.184 -14.584  -3.017
   91    HE2  TYR  14           2HE      TYR  14  -7.829 -16.256  -1.558
   92    HH   TYR  14           HH       TYR  14  -5.984 -15.678  -4.340
   93    H    LYS  15           H        LYS  15  -2.813 -13.347   2.492
   94    HA   LYS  15           HA       LYS  15  -2.840 -12.288   5.172
   95   1HB   LYS  15          1HB       LYS  15  -0.657 -12.221   3.068
   96   2HB   LYS  15          2HB       LYS  15  -0.463 -11.799   4.786
   97   1HG   LYS  15          1HG       LYS  15  -0.440 -13.972   5.462
   98   2HG   LYS  15          2HG       LYS  15  -1.527 -14.508   4.159
   99   1HD   LYS  15          1HD       LYS  15   0.289 -15.317   3.131
  100   2HD   LYS  15          2HD       LYS  15   0.756 -13.628   2.823
  101   1HE   LYS  15          1HE       LYS  15   1.590 -14.025   5.423
  102   2HE   LYS  15          2HE       LYS  15   1.902 -15.604   4.670
  103   1HZ   LYS  15          1HZ       LYS  15   2.904 -12.962   3.724
  104   2HZ   LYS  15          2HZ       LYS  15   3.135 -14.428   2.902
  105   3HZ   LYS  15          3HZ       LYS  15   3.818 -14.199   4.438
  106    HA   PRO  16           HA       PRO  16  -3.971  -8.236   3.741
  107   1HB   PRO  16          1HB       PRO  16  -3.671  -7.294   6.486
  108   2HB   PRO  16          2HB       PRO  16  -5.163  -7.620   5.546
  109   1HG   PRO  16          1HG       PRO  16  -4.335  -9.088   7.691
  110   2HG   PRO  16          2HG       PRO  16  -5.455  -9.682   6.422
  111   1HD   PRO  16          1HD       PRO  16  -2.505 -10.175   6.827
  112   2HD   PRO  16          2HD       PRO  16  -3.774 -11.274   6.209
  113    H    TYR  17           H        TYR  17  -2.642  -6.864   2.803
  114    HA   TYR  17           HA       TYR  17  -0.189  -6.044   4.223
  115   1HB   TYR  17          1HB       TYR  17  -0.607  -6.454   1.245
  116   2HB   TYR  17          2HB       TYR  17   0.835  -5.712   1.959
  117    HD1  TYR  17           1HD      TYR  17   2.262  -7.127   3.524
  118    HD2  TYR  17           2HD      TYR  17  -0.789  -8.808   1.087
  119    HE1  TYR  17           1HE      TYR  17   3.281  -9.343   3.786
  120    HE2  TYR  17           2HE      TYR  17   0.219 -11.032   1.345
  121    HH   TYR  17           HH       TYR  17   2.295 -12.069   1.898
  122    H    CYS  18           H        CYS  18   0.373  -3.834   4.024
  123    HA   CYS  18           HA       CYS  18  -1.432  -2.122   2.507
  124   1HB   CYS  18          1HB       CYS  18  -2.110  -2.447   5.047
  125   2HB   CYS  18          2HB       CYS  18  -0.817  -1.265   5.306
  126    H    CYS  19           H        CYS  19  -0.188  -0.921   1.287
  127    HA   CYS  19           HA       CYS  19   2.129   0.400   2.456
  128   1HB   CYS  19          1HB       CYS  19   3.121  -0.335  -0.016
  129   2HB   CYS  19          2HB       CYS  19   3.567  -1.057   1.538
  130    H    GLN  20           H        GLN  20   3.131   1.885   0.642
  131    HA   GLN  20           HA       GLN  20   0.866   3.312  -0.558
  132   1HB   GLN  20          1HB       GLN  20   3.031   4.180   0.944
  133   2HB   GLN  20          2HB       GLN  20   3.481   4.605  -0.725
  134   1HG   GLN  20          1HG       GLN  20   2.371   6.502  -0.158
  135   2HG   GLN  20          2HG       GLN  20   0.999   5.546  -0.758
  136   1HE2  GLN  20          1HE2      GLN  20   2.809   5.553   2.313
  137   2HE2  GLN  20          2HE2      GLN  20   1.417   5.785   3.315
  138    H    SER  21           H        SER  21   0.704   3.641  -2.736
  139    HA   SER  21           HA       SER  21   2.535   2.117  -4.410
  140   1HB   SER  21          1HB       SER  21   0.099   3.683  -5.296
  141   2HB   SER  21          2HB       SER  21   0.921   2.361  -6.159
  142    HG   SER  21           HG       SER  21  -0.401   2.094  -3.636
  143    H    MET  22           H        MET  22   4.263   3.055  -5.248
  144    HA   MET  22           HA       MET  22   4.622   5.896  -5.059
  145   1HB   MET  22          1HB       MET  22   6.330   3.577  -5.910
  146   2HB   MET  22          2HB       MET  22   6.842   5.242  -6.274
  147   1HG   MET  22          1HG       MET  22   7.383   5.686  -4.132
  148   2HG   MET  22          2HG       MET  22   6.010   4.775  -3.482
  149   1HE   MET  22          1HE       MET  22   5.953   2.087  -3.971
  150   2HE   MET  22          2HE       MET  22   7.248   1.189  -3.175
  151   3HE   MET  22          3HE       MET  22   6.349   2.417  -2.284
  152    H    SER  23           H        SER  23   3.606   7.130  -6.479
  153    HA   SER  23           HA       SER  23   3.357   6.257  -9.256
  154   1HB   SER  23          1HB       SER  23   2.270   8.885  -8.365
  155   2HB   SER  23          2HB       SER  23   1.543   7.648  -9.419
  156    HG   SER  23           HG       SER  23   1.824   6.600  -6.980
  157    H    GLY  24           H        GLY  24   4.221   7.394 -10.991
  158   1HA   GLY  24          1HA       GLY  24   5.497   9.850 -10.923
  159   2HA   GLY  24          2HA       GLY  24   6.715   8.664 -10.477
  160    HA   PRO  25           HA       PRO  25   7.125   8.705 -14.966
  161   1HB   PRO  25          1HB       PRO  25   9.699   7.376 -14.564
  162   2HB   PRO  25          2HB       PRO  25   9.342   9.050 -15.102
  163   1HG   PRO  25          1HG       PRO  25  10.478   8.411 -12.712
  164   2HG   PRO  25          2HG       PRO  25   9.596   9.938 -13.040
  165   1HD   PRO  25          1HD       PRO  25   8.723   7.432 -11.605
  166   2HD   PRO  25          2HD       PRO  25   8.323   9.144 -11.267
  167    H    ALA  26           H        ALA  26   5.364   6.959 -14.560
  168    HA   ALA  26           HA       ALA  26   6.299   4.229 -14.778
  169   1HB   ALA  26          1HB       ALA  26   3.559   4.347 -15.409
  170   2HB   ALA  26          2HB       ALA  26   4.301   3.836 -13.893
  171   3HB   ALA  26          3HB       ALA  26   3.827   5.520 -14.120
  172    H    GLY  27           H        GLY  27   4.577   6.547 -16.865
  173   1HA   GLY  27          1HA       GLY  27   5.922   5.760 -19.200
  174   2HA   GLY  27          2HA       GLY  27   4.390   4.904 -19.124
  175    H    SER  28           H        SER  28   4.818   6.566 -21.205
  176    HA   SER  28           HA       SER  28   3.194   8.937 -20.555
  177   1HB   SER  28          1HB       SER  28   4.577   9.207 -23.069
  178   2HB   SER  28          2HB       SER  28   4.694  10.224 -21.613
  179    HG   SER  28           HG       SER  28   6.506   9.272 -21.104
  180    HA   PRO  29           HA       PRO  29   0.080   7.140 -23.176
  181   1HB   PRO  29          1HB       PRO  29  -0.854   9.947 -23.549
  182   2HB   PRO  29          2HB       PRO  29  -1.682   8.522 -22.838
  183   1HG   PRO  29          1HG       PRO  29  -0.801  10.553 -21.346
  184   2HG   PRO  29          2HG       PRO  29  -0.853   8.866 -20.739
  185   1HD   PRO  29          1HD       PRO  29   1.464  10.539 -21.705
  186   2HD   PRO  29          2HD       PRO  29   1.401   9.316 -20.400
  187    H    GLY  30           H        GLY  30   0.935   6.471 -25.073
  188   1HA   GLY  30          1HA       GLY  30   1.921   8.434 -26.991
  189   2HA   GLY  30          2HA       GLY  30   2.074   6.689 -27.122
  190    H    LEU  31           H        LEU  31   1.217   6.362 -29.118
  191    HA   LEU  31           HA       LEU  31  -1.341   7.577 -29.789
  192   1HB   LEU  31          1HB       LEU  31   0.388   5.721 -31.439
  193   2HB   LEU  31          2HB       LEU  31  -0.999   6.677 -32.015
  194    HG   LEU  31           HG       LEU  31   1.429   8.007 -30.832
  195   1HD1  LEU  31          1HD1      LEU  31   1.032   7.116 -33.680
  196   2HD1  LEU  31          2HD1      LEU  31   2.247   8.284 -33.156
  197   3HD1  LEU  31          3HD1      LEU  31   2.312   6.620 -32.572
  198   1HD2  LEU  31          1HD2      LEU  31  -1.068   8.853 -31.938
  199   2HD2  LEU  31          2HD2      LEU  31   0.223   9.828 -31.234
  200   3HD2  LEU  31          3HD2      LEU  31   0.249   9.439 -32.955
  201    H    LEU  32           H        LEU  32  -0.482   5.042 -28.012
  202    HA   LEU  32           HA       LEU  32  -2.988   3.668 -28.498
  203   1HB   LEU  32          1HB       LEU  32  -0.282   2.453 -28.906
  204   2HB   LEU  32          2HB       LEU  32  -1.583   1.450 -28.221
  205    HG   LEU  32           HG       LEU  32  -2.095   2.958 -30.756
  206   1HD1  LEU  32          1HD1      LEU  32  -0.076   1.997 -31.404
  207   2HD1  LEU  32          2HD1      LEU  32  -0.358   0.537 -30.457
  208   3HD1  LEU  32          3HD1      LEU  32  -1.287   0.824 -31.928
  209   1HD2  LEU  32          1HD2      LEU  32  -3.891   1.630 -30.878
  210   2HD2  LEU  32          2HD2      LEU  32  -2.962   0.188 -30.465
  211   3HD2  LEU  32          3HD2      LEU  32  -3.561   1.247 -29.187
  212    H    ASN  33           H        ASN  33  -3.152   1.822 -26.758
  213    HA   ASN  33           HA       ASN  33  -2.789   3.154 -24.233
  214   1HB   ASN  33          1HB       ASN  33  -4.103   1.342 -23.278
  215   2HB   ASN  33          2HB       ASN  33  -4.882   1.943 -24.757
  216   1HD2  ASN  33          1HD2      ASN  33  -4.986   0.630 -26.563
  217   2HD2  ASN  33          2HD2      ASN  33  -4.622  -1.068 -26.506
  218    H    LEU  34           H        LEU  34  -1.543   2.505 -22.519
  219    HA   LEU  34           HA       LEU  34   0.839   1.056 -23.129
  220   1HB   LEU  34          1HB       LEU  34  -0.224   2.640 -20.903
  221   2HB   LEU  34          2HB       LEU  34   0.787   1.269 -20.385
  222    HG   LEU  34           HG       LEU  34   2.381   2.326 -22.289
  223   1HD1  LEU  34          1HD1      LEU  34   0.470   4.191 -22.344
  224   2HD1  LEU  34          2HD1      LEU  34   1.460   4.840 -21.036
  225   3HD1  LEU  34          3HD1      LEU  34   2.173   4.556 -22.625
  226   1HD2  LEU  34          1HD2      LEU  34   2.997   3.827 -20.025
  227   2HD2  LEU  34          2HD2      LEU  34   2.193   2.382 -19.411
  228   3HD2  LEU  34          3HD2      LEU  34   3.615   2.227 -20.444
  229    H    ILE  35           H        ILE  35   1.352  -1.018 -22.709
  230    HA   ILE  35           HA       ILE  35  -0.667  -2.647 -21.325
  231    HB   ILE  35           HB       ILE  35   0.624  -4.496 -22.825
  232   1HG1  ILE  35          1HG1      ILE  35   0.181  -2.461 -24.927
  233   2HG1  ILE  35          2HG1      ILE  35   1.628  -2.218 -23.920
  234   1HG2  ILE  35          1HG2      ILE  35  -1.675  -4.580 -22.782
  235   2HG2  ILE  35          2HG2      ILE  35  -1.854  -2.892 -23.271
  236   3HG2  ILE  35          3HG2      ILE  35  -1.367  -4.108 -24.453
  237   1HD1  ILE  35          1HD1      ILE  35   2.508  -4.339 -24.549
  238   2HD1  ILE  35          2HD1      ILE  35   0.999  -4.810 -25.328
  239   3HD1  ILE  35          3HD1      ILE  35   1.989  -3.531 -26.030
  240    HA   PRO  36           HA       PRO  36   2.939  -3.180 -18.679
  241   1HB   PRO  36          1HB       PRO  36   1.049  -4.471 -16.824
  242   2HB   PRO  36          2HB       PRO  36   1.972  -2.942 -16.657
  243   1HG   PRO  36          1HG       PRO  36  -0.713  -3.048 -16.971
  244   2HG   PRO  36          2HG       PRO  36   0.291  -1.643 -17.455
  245   1HD   PRO  36          1HD       PRO  36  -0.924  -3.856 -19.108
  246   2HD   PRO  36          2HD       PRO  36  -0.693  -2.126 -19.504
  247    H    VAL  37           H        VAL  37   4.287  -4.821 -19.018
  248    HA   VAL  37           HA       VAL  37   3.321  -7.445 -19.709
  249    HB   VAL  37           HB       VAL  37   5.836  -8.023 -19.559
  250   1HG1  VAL  37          1HG1      VAL  37   4.406  -6.360 -21.546
  251   2HG1  VAL  37          2HG1      VAL  37   6.150  -6.533 -21.744
  252   3HG1  VAL  37          3HG1      VAL  37   5.121  -7.963 -21.711
  253   1HG2  VAL  37          1HG2      VAL  37   5.843  -5.164 -18.885
  254   2HG2  VAL  37          2HG2      VAL  37   7.042  -6.413 -18.551
  255   3HG2  VAL  37          3HG2      VAL  37   6.994  -5.638 -20.134
  256    H    ASP  38           H        ASP  38   4.559  -5.821 -16.918
  257    HA   ASP  38           HA       ASP  38   4.081  -8.263 -15.334
  258   1HB   ASP  38          1HB       ASP  38   6.400  -7.180 -15.212
  259   2HB   ASP  38          2HB       ASP  38   5.603  -5.822 -14.387
  260    H    LEU  39           H        LEU  39   2.069  -8.209 -14.614
  261    HA   LEU  39           HA       LEU  39   0.680  -5.722 -14.202
  262   1HB   LEU  39          1HB       LEU  39  -0.087  -8.620 -13.895
  263   2HB   LEU  39          2HB       LEU  39  -1.176  -7.293 -13.426
  264    HG   LEU  39           HG       LEU  39  -0.253  -6.804 -16.083
  265   1HD1  LEU  39          1HD1      LEU  39   0.245  -9.156 -16.283
  266   2HD1  LEU  39          2HD1      LEU  39  -1.345  -9.580 -15.649
  267   3HD1  LEU  39          3HD1      LEU  39  -1.204  -8.777 -17.214
  268   1HD2  LEU  39          1HD2      LEU  39  -2.573  -6.709 -16.571
  269   2HD2  LEU  39          2HD2      LEU  39  -2.976  -7.728 -15.190
  270   3HD2  LEU  39          3HD2      LEU  39  -2.374  -6.090 -14.933
  271    H    SER  40           H        SER  40   1.713  -8.435 -12.162
  272    HA   SER  40           HA       SER  40   2.179  -6.763  -9.908
  273   1HB   SER  40          1HB       SER  40  -0.311  -8.482  -9.949
  274   2HB   SER  40          2HB       SER  40   0.476  -7.988  -8.431
  275    HG   SER  40           HG       SER  40   0.145  -5.877 -10.113
  276    H    ALA  41           H        ALA  41   3.967  -8.340 -11.072
  277    HA   ALA  41           HA       ALA  41   4.061 -10.808  -9.475
  278   1HB   ALA  41          1HB       ALA  41   6.216 -11.104 -10.945
  279   2HB   ALA  41          2HB       ALA  41   4.618 -11.439 -11.609
  280   3HB   ALA  41          3HB       ALA  41   5.421  -9.911 -11.971
  281    H    SER  42           H        SER  42   5.028  -7.649  -9.316
  282    HA   SER  42           HA       SER  42   7.279  -8.291  -7.523
  283   1HB   SER  42          1HB       SER  42   6.971  -5.475  -8.271
  284   2HB   SER  42          2HB       SER  42   8.411  -6.520  -8.342
  285    HG   SER  42           HG       SER  42   7.151  -7.470 -10.264
  286    H    LEU  43           H        LEU  43   6.551  -8.331  -5.467
  287    HA   LEU  43           HA       LEU  43   4.893  -6.092  -4.572
  288   1HB   LEU  43          1HB       LEU  43   3.987  -8.776  -4.881
  289   2HB   LEU  43          2HB       LEU  43   4.079  -8.418  -3.140
  290    HG   LEU  43           HG       LEU  43   1.850  -7.960  -3.958
  291   1HD1  LEU  43          1HD1      LEU  43   3.536  -5.619  -3.171
  292   2HD1  LEU  43          2HD1      LEU  43   1.820  -5.405  -3.521
  293   3HD1  LEU  43          3HD1      LEU  43   2.328  -6.501  -2.237
  294   1HD2  LEU  43          1HD2      LEU  43   3.319  -6.534  -6.107
  295   2HD2  LEU  43          2HD2      LEU  43   1.854  -7.512  -6.188
  296   3HD2  LEU  43          3HD2      LEU  43   1.777  -5.857  -5.581
  297    H    GLY  44           H        GLY  44   6.209  -5.115  -3.170
  298   1HA   GLY  44          1HA       GLY  44   7.331  -6.796  -1.001
  299   2HA   GLY  44          2HA       GLY  44   8.117  -5.332  -1.591
  300    H    CYS  45           H        CYS  45   6.174  -6.555   0.797
  301    HA   CYS  45           HA       CYS  45   5.353  -3.931   1.673
  302   1HB   CYS  45          1HB       CYS  45   3.593  -4.910   0.031
  303   2HB   CYS  45          2HB       CYS  45   3.191  -6.001   1.367
  304    H    VAL  46           H        VAL  46   3.897  -4.295   3.754
  305    HA   VAL  46           HA       VAL  46   5.064  -6.530   5.279
  306    HB   VAL  46           HB       VAL  46   4.677  -4.939   7.303
  307   1HG1  VAL  46          1HG1      VAL  46   6.886  -5.227   7.236
  308   2HG1  VAL  46          2HG1      VAL  46   6.895  -5.282   5.474
  309   3HG1  VAL  46          3HG1      VAL  46   6.966  -3.730   6.307
  310   1HG2  VAL  46          1HG2      VAL  46   3.642  -3.261   5.489
  311   2HG2  VAL  46          2HG2      VAL  46   4.410  -2.711   6.976
  312   3HG2  VAL  46          3HG2      VAL  46   5.317  -2.712   5.464
  313    H    VAL  47           H        VAL  47   3.728  -7.270   7.070
  314    HA   VAL  47           HA       VAL  47   1.058  -7.721   6.316
  315    HB   VAL  47           HB       VAL  47   2.182  -8.031   9.101
  316   1HG1  VAL  47          1HG1      VAL  47   0.421 -10.119   8.389
  317   2HG1  VAL  47          2HG1      VAL  47   0.174  -8.847   9.585
  318   3HG1  VAL  47          3HG1      VAL  47  -0.357  -8.608   7.922
  319   1HG2  VAL  47          1HG2      VAL  47   3.352  -9.861   8.514
  320   2HG2  VAL  47          2HG2      VAL  47   2.133 -10.389   7.353
  321   3HG2  VAL  47          3HG2      VAL  47   3.308  -9.155   6.898
  322    H    GLY  48           H        GLY  48  -0.689  -6.530   6.566
  323   1HA   GLY  48          1HA       GLY  48  -0.605  -3.916   7.625
  324   2HA   GLY  48          2HA       GLY  48  -2.059  -4.793   7.165
  325    H    VAL  49           H        VAL  49  -1.114  -3.079   9.541
  326    HA   VAL  49           HA       VAL  49  -1.148  -4.757  11.821
  327    HB   VAL  49           HB       VAL  49  -1.923  -1.843  11.796
  328   1HG1  VAL  49          1HG1      VAL  49  -0.344  -2.407  14.001
  329   2HG1  VAL  49          2HG1      VAL  49  -2.098  -2.229  13.985
  330   3HG1  VAL  49          3HG1      VAL  49  -1.372  -3.828  13.836
  331   1HG2  VAL  49          1HG2      VAL  49   0.894  -2.726  12.210
  332   2HG2  VAL  49          2HG2      VAL  49   0.282  -2.539  10.567
  333   3HG2  VAL  49          3HG2      VAL  49   0.269  -1.167  11.674
  334    H    ILE  50           H        ILE  50  -2.888  -6.092  11.900
  335    HA   ILE  50           HA       ILE  50  -5.549  -5.409  11.372
  336    HB   ILE  50           HB       ILE  50  -6.006  -7.366  13.059
  337   1HG1  ILE  50          1HG1      ILE  50  -3.065  -7.786  12.452
  338   2HG1  ILE  50          2HG1      ILE  50  -3.695  -7.245  14.027
  339   1HG2  ILE  50          1HG2      ILE  50  -6.388  -7.704  10.771
  340   2HG2  ILE  50          2HG2      ILE  50  -4.678  -7.559  10.373
  341   3HG2  ILE  50          3HG2      ILE  50  -5.266  -8.985  11.227
  342   1HD1  ILE  50          1HD1      ILE  50  -3.935  -9.372  14.612
  343   2HD1  ILE  50          2HD1      ILE  50  -5.126  -9.577  13.328
  344   3HD1  ILE  50          3HD1      ILE  50  -3.420  -9.904  13.011
  345    H    GLY  51           H        GLY  51  -6.880  -4.103  12.396
  346   1HA   GLY  51          1HA       GLY  51  -7.999  -3.500  14.479
  347   2HA   GLY  51          2HA       GLY  51  -6.437  -3.611  15.276
  348    H    SER  52           H        SER  52  -5.591  -2.251  12.507
  349    HA   SER  52           HA       SER  52  -6.160   0.479  13.468
  350   1HB   SER  52          1HB       SER  52  -3.749  -0.310  11.822
  351   2HB   SER  52          2HB       SER  52  -4.010   1.187  12.750
  352    HG   SER  52           HG       SER  52  -4.099  -1.246  14.135
  353    H    GLN  53           H        GLN  53  -6.449   2.115  11.881
  354    HA   GLN  53           HA       GLN  53  -7.713   1.164   9.460
  355   1HB   GLN  53          1HB       GLN  53  -7.533   3.748  10.929
  356   2HB   GLN  53          2HB       GLN  53  -7.831   3.822   9.176
  357   1HG   GLN  53          1HG       GLN  53  -9.811   2.436   9.427
  358   2HG   GLN  53          2HG       GLN  53  -9.494   2.260  11.167
  359   1HE2  GLN  53          1HE2      GLN  53  -9.371   4.344  12.383
  360   2HE2  GLN  53          2HE2      GLN  53 -10.492   5.591  11.948
  361    H    CYS  54           H        CYS  54  -7.128   1.840   7.354
  362    HA   CYS  54           HA       CYS  54  -4.364   2.772   7.047
  363   1HB   CYS  54          1HB       CYS  54  -5.060   0.122   6.811
  364   2HB   CYS  54          2HB       CYS  54  -5.183   0.689   5.138
  365    H    GLY  55           H        GLY  55  -4.724   4.674   6.046
  366   1HA   GLY  55          1HA       GLY  55  -6.599   4.812   3.807
  367   2HA   GLY  55          2HA       GLY  55  -5.694   6.155   4.498
  368    H    ALA  56           H        ALA  56  -4.958   3.035   2.945
  369    HA   ALA  56           HA       ALA  56  -3.289   4.366   0.975
  370   1HB   ALA  56          1HB       ALA  56  -1.394   2.728   1.533
  371   2HB   ALA  56          2HB       ALA  56  -1.604   4.123   2.589
  372   3HB   ALA  56          3HB       ALA  56  -2.191   2.537   3.093
  373    H    SER  57           H        SER  57  -1.996   2.133  -0.028
  374    HA   SER  57           HA       SER  57  -4.194   0.801  -1.327
  375   1HB   SER  57          1HB       SER  57  -1.664  -0.343  -2.048
  376   2HB   SER  57          2HB       SER  57  -2.726   0.706  -3.018
  377    HG   SER  57           HG       SER  57  -0.700   1.523  -1.177
  378    H    VAL  58           H        VAL  58  -5.151  -0.551   0.134
  379    HA   VAL  58           HA       VAL  58  -3.639  -2.464   1.669
  380    HB   VAL  58           HB       VAL  58  -6.612  -2.559   1.161
  381   1HG1  VAL  58          1HG1      VAL  58  -6.641  -4.180   2.680
  382   2HG1  VAL  58          2HG1      VAL  58  -4.879  -4.195   2.602
  383   3HG1  VAL  58          3HG1      VAL  58  -5.698  -3.214   3.815
  384   1HG2  VAL  58          1HG2      VAL  58  -5.259  -0.386   2.271
  385   2HG2  VAL  58          2HG2      VAL  58  -6.986  -0.726   2.363
  386   3HG2  VAL  58          3HG2      VAL  58  -5.909  -1.278   3.645
  387    H    LYS  59           H        LYS  59  -3.241  -4.561   1.185
  388    HA   LYS  59           HA       LYS  59  -4.407  -5.638  -1.292
  389   1HB   LYS  59          1HB       LYS  59  -1.658  -6.507  -0.580
  390   2HB   LYS  59          2HB       LYS  59  -2.406  -6.273  -2.178
  391   1HG   LYS  59          1HG       LYS  59  -2.183  -3.718  -0.960
  392   2HG   LYS  59          2HG       LYS  59  -0.625  -4.554  -0.750
  393   1HD   LYS  59          1HD       LYS  59  -0.128  -4.088  -2.873
  394   2HD   LYS  59          2HD       LYS  59  -1.493  -5.109  -3.387
  395   1HE   LYS  59          1HE       LYS  59  -2.782  -3.338  -3.902
  396   2HE   LYS  59          2HE       LYS  59  -2.280  -2.431  -2.458
  397   1HZ   LYS  59          1HZ       LYS  59  -0.633  -1.399  -3.580
  398   2HZ   LYS  59          2HZ       LYS  59  -1.605  -1.735  -4.925
  399   3HZ   LYS  59          3HZ       LYS  59  -0.276  -2.729  -4.566
  400    H    CYS  60           H        CYS  60  -4.592  -7.887  -1.370
  401    HA   CYS  60           HA       CYS  60  -4.092  -9.332   1.146
  402   1HB   CYS  60          1HB       CYS  60  -6.527  -9.369  -0.639
  403   2HB   CYS  60          2HB       CYS  60  -6.127 -10.756   0.387
  404    H    CYS  61           H        CYS  61  -2.449 -10.686   0.696
  405    HA   CYS  61           HA       CYS  61  -2.449 -11.937  -1.968
  406   1HB   CYS  61          1HB       CYS  61  -0.064 -10.901  -0.423
  407   2HB   CYS  61          2HB       CYS  61   0.035 -11.847  -1.917
  408    H    LYS  62           H        LYS  62  -1.963 -14.024  -2.129
  409    HA   LYS  62           HA       LYS  62  -1.288 -15.489   0.328
  410   1HB   LYS  62          1HB       LYS  62  -3.424 -16.063  -1.013
  411   2HB   LYS  62          2HB       LYS  62  -2.305 -16.758  -2.211
  412   1HG   LYS  62          1HG       LYS  62  -2.477 -18.650  -1.043
  413   2HG   LYS  62          2HG       LYS  62  -1.435 -17.860   0.164
  414   1HD   LYS  62          1HD       LYS  62  -3.959 -16.889   0.765
  415   2HD   LYS  62          2HD       LYS  62  -4.268 -18.581   0.304
  416   1HE   LYS  62          1HE       LYS  62  -1.942 -18.563   1.940
  417   2HE   LYS  62          2HE       LYS  62  -3.154 -17.539   2.741
  418   1HZ   LYS  62          1HZ       LYS  62  -4.701 -19.564   2.137
  419   2HZ   LYS  62          2HZ       LYS  62  -3.742 -19.575   3.531
  420   3HZ   LYS  62          3HZ       LYS  62  -3.233 -20.415   2.152
  421    H    ASP  63           H        ASP  63   0.664 -16.207   0.473
  422    HA   ASP  63           HA       ASP  63   2.287 -16.726  -1.892
  423   1HB   ASP  63          1HB       ASP  63   4.112 -15.294  -1.042
  424   2HB   ASP  63          2HB       ASP  63   2.651 -14.347  -1.398
  425    H    ASP  64           H        ASP  64   4.666 -17.136  -0.827
  426    HA   ASP  64           HA       ASP  64   4.409 -18.636   1.667
  427   1HB   ASP  64          1HB       ASP  64   4.205 -20.198  -0.331
  428   2HB   ASP  64          2HB       ASP  64   5.882 -19.763  -0.725
  429    H    VAL  65           H        VAL  65   5.394 -16.154   1.575
  430    HA   VAL  65           HA       VAL  65   8.143 -15.895   1.000
  431    HB   VAL  65           HB       VAL  65   6.609 -14.442   3.157
  432   1HG1  VAL  65          1HG1      VAL  65   8.462 -12.697   2.174
  433   2HG1  VAL  65          2HG1      VAL  65   8.649 -13.651   3.645
  434   3HG1  VAL  65          3HG1      VAL  65   9.339 -14.227   2.126
  435   1HG2  VAL  65          1HG2      VAL  65   7.026 -12.850   0.840
  436   2HG2  VAL  65          2HG2      VAL  65   6.272 -14.365   0.346
  437   3HG2  VAL  65          3HG2      VAL  65   5.503 -13.355   1.568
  438    H    THR  66           H        THR  66   9.851 -16.724   1.956
  439    HA   THR  66           HA       THR  66   9.566 -17.755   4.697
  440    HB   THR  66           HB       THR  66  11.800 -18.937   3.352
  441    HG1  THR  66           1HG      THR  66   9.284 -19.208   2.013
  442   1HG2  THR  66          1HG2      THR  66  10.790 -20.022   5.197
  443   2HG2  THR  66          2HG2      THR  66  10.394 -21.016   3.796
  444   3HG2  THR  66          3HG2      THR  66   9.184 -19.924   4.473
  445    H    ASN  67           H        ASN  67  10.741 -16.732   6.166
  446    HA   ASN  67           HA       ASN  67  12.541 -14.667   5.277
  447   1HB   ASN  67          1HB       ASN  67  10.938 -14.335   7.162
  448   2HB   ASN  67          2HB       ASN  67  11.903 -15.478   8.120
  449   1HD2  ASN  67          1HD2      ASN  67  12.783 -14.183   9.620
  450   2HD2  ASN  67          2HD2      ASN  67  13.779 -12.802   9.285
  451    H    THR  68           H        THR  68  14.378 -15.490   4.509
  452    HA   THR  68           HA       THR  68  15.975 -17.378   5.958
  453    HB   THR  68           HB       THR  68  16.532 -15.635   3.550
  454    HG1  THR  68           1HG      THR  68  16.570 -18.413   3.392
  455   1HG2  THR  68          1HG2      THR  68  18.706 -16.014   3.819
  456   2HG2  THR  68          2HG2      THR  68  18.379 -17.735   3.611
  457   3HG2  THR  68          3HG2      THR  68  18.402 -17.030   5.228
  458    H    GLY  69           H        GLY  69  15.446 -14.034   6.013
  459   1HA   GLY  69          1HA       GLY  69  16.569 -13.144   8.189
  460   2HA   GLY  69          2HA       GLY  69  18.031 -13.430   7.250
  461    H    ASN  70           H        ASN  70  14.833 -12.041   6.568
  462    HA   ASN  70           HA       ASN  70  16.226  -9.809   5.250
  463   1HB   ASN  70          1HB       ASN  70  14.181 -11.551   4.302
  464   2HB   ASN  70          2HB       ASN  70  13.464  -9.936   4.488
  465   1HD2  ASN  70          1HD2      ASN  70  13.969 -11.353   2.025
  466   2HD2  ASN  70          2HD2      ASN  70  15.081 -10.386   1.109
  467    H    SER  71           H        SER  71  15.685  -7.743   5.768
  468    HA   SER  71           HA       SER  71  14.597  -7.226   8.301
  469   1HB   SER  71          1HB       SER  71  14.463  -4.941   6.489
  470   2HB   SER  71          2HB       SER  71  15.462  -5.177   7.943
  471    HG   SER  71           HG       SER  71  17.005  -6.214   6.714
  472    H    PHE  72           H        PHE  72  13.250  -6.638   5.059
  473    HA   PHE  72           HA       PHE  72  10.585  -6.689   6.295
  474   1HB   PHE  72          1HB       PHE  72   9.908  -4.902   5.097
  475   2HB   PHE  72          2HB       PHE  72  11.643  -4.571   4.947
  476    HD1  PHE  72           1HD      PHE  72  12.838  -5.203   2.862
  477    HD2  PHE  72           2HD      PHE  72   8.605  -5.499   3.204
  478    HE1  PHE  72           1HE      PHE  72  12.650  -5.301   0.413
  479    HE2  PHE  72           2HE      PHE  72   8.412  -5.605   0.756
  480    HZ   PHE  72           HZ       PHE  72  10.433  -5.506  -0.644
  481    H    LEU  73           H        LEU  73   8.940  -7.815   5.163
  482    HA   LEU  73           HA       LEU  73  10.013 -10.160   3.878
  483   1HB   LEU  73          1HB       LEU  73   7.521 -10.828   3.887
  484   2HB   LEU  73          2HB       LEU  73   8.393 -10.714   5.435
  485    HG   LEU  73           HG       LEU  73   7.187  -8.180   4.855
  486   1HD1  LEU  73          1HD1      LEU  73   5.568  -9.179   3.474
  487   2HD1  LEU  73          2HD1      LEU  73   5.408 -10.577   4.538
  488   3HD1  LEU  73          3HD1      LEU  73   4.796  -9.004   5.051
  489   1HD2  LEU  73          1HD2      LEU  73   6.750  -8.276   7.053
  490   2HD2  LEU  73          2HD2      LEU  73   5.989  -9.862   6.929
  491   3HD2  LEU  73          3HD2      LEU  73   7.744  -9.733   7.027
  492    H    ILE  74           H        ILE  74  10.640  -9.648   1.812
  493    HA   ILE  74           HA       ILE  74   8.952  -8.358  -0.070
  494    HB   ILE  74           HB       ILE  74  10.909 -10.395  -1.017
  495   1HG1  ILE  74          1HG1      ILE  74  11.772  -7.735   0.152
  496   2HG1  ILE  74          2HG1      ILE  74  11.993  -9.307   0.958
  497   1HG2  ILE  74          1HG2      ILE  74  11.454  -8.433  -2.549
  498   2HG2  ILE  74          2HG2      ILE  74   9.862  -9.175  -2.717
  499   3HG2  ILE  74          3HG2      ILE  74  10.036  -7.648  -1.851
  500   1HD1  ILE  74          1HD1      ILE  74  13.932  -9.522  -0.093
  501   2HD1  ILE  74          2HD1      ILE  74  13.076  -9.557  -1.635
  502   3HD1  ILE  74          3HD1      ILE  74  13.655  -8.024  -0.982
  503    H    ILE  75           H        ILE  75   7.266  -9.144  -1.164
  504    HA   ILE  75           HA       ILE  75   6.440 -11.870  -0.539
  505    HB   ILE  75           HB       ILE  75   4.812  -9.817  -2.029
  506   1HG1  ILE  75          1HG1      ILE  75   4.453 -10.194   0.908
  507   2HG1  ILE  75          2HG1      ILE  75   5.811  -9.185   0.355
  508   1HG2  ILE  75          1HG2      ILE  75   4.175 -12.321  -0.500
  509   2HG2  ILE  75          2HG2      ILE  75   2.946 -11.101  -0.842
  510   3HG2  ILE  75          3HG2      ILE  75   3.777 -11.912  -2.169
  511   1HD1  ILE  75          1HD1      ILE  75   4.452  -7.517  -0.335
  512   2HD1  ILE  75          2HD1      ILE  75   3.186  -8.619  -0.876
  513   3HD1  ILE  75          3HD1      ILE  75   3.345  -8.232   0.836
  514    H    ASN  76           H        ASN  76   5.942 -13.380  -2.079
  515    HA   ASN  76           HA       ASN  76   7.309 -13.191  -4.591
  516   1HB   ASN  76          1HB       ASN  76   6.810 -15.266  -3.027
  517   2HB   ASN  76          2HB       ASN  76   5.320 -15.349  -3.990
  518   1HD2  ASN  76          1HD2      ASN  76   6.736 -17.480  -4.233
  519   2HD2  ASN  76          2HD2      ASN  76   7.657 -17.534  -5.703
  520    H    ALA  77           H        ALA  77   4.548 -11.871  -3.582
  521    HA   ALA  77           HA       ALA  77   2.662 -11.035  -4.491
  522   1HB   ALA  77          1HB       ALA  77   4.319 -11.502  -6.926
  523   2HB   ALA  77          2HB       ALA  77   2.621 -11.064  -7.111
  524   3HB   ALA  77          3HB       ALA  77   3.719  -9.988  -6.245
  525    H    ALA  78           H        ALA  78   3.059 -13.257  -7.151
  526    HA   ALA  78           HA       ALA  78   1.769 -14.948  -7.936
  527   1HB   ALA  78          1HB       ALA  78   3.007 -15.931  -5.896
  528   2HB   ALA  78          2HB       ALA  78   1.429 -15.887  -5.113
  529   3HB   ALA  78          3HB       ALA  78   1.656 -16.833  -6.583
  530    H    ASN  79           H        ASN  79   0.047 -15.164  -4.908
  531    HA   ASN  79           HA       ASN  79  -2.437 -14.691  -6.372
  532   1HB   ASN  79          1HB       ASN  79  -2.071 -15.628  -3.514
  533   2HB   ASN  79          2HB       ASN  79  -3.541 -15.741  -4.505
  534   1HD2  ASN  79          1HD2      ASN  79  -0.438 -17.112  -3.802
  535   2HD2  ASN  79          2HD2      ASN  79  -0.623 -18.549  -4.762
  536    H    CYS  80           H        CYS  80  -2.079 -12.337  -6.493
  537    HA   CYS  80           HA       CYS  80  -2.510 -11.023  -3.892
  538   1HB   CYS  80          1HB       CYS  80  -0.916 -10.242  -6.298
  539   2HB   CYS  80          2HB       CYS  80  -1.645  -8.964  -5.312
  540    H    VAL  81           H        VAL  81  -4.300  -9.903  -3.599
  541    HA   VAL  81           HA       VAL  81  -5.801  -8.913  -5.913
  542    HB   VAL  81           HB       VAL  81  -7.778  -9.629  -4.074
  543   1HG1  VAL  81          1HG1      VAL  81  -6.901 -10.757  -6.711
  544   2HG1  VAL  81          2HG1      VAL  81  -8.338 -11.346  -5.872
  545   3HG1  VAL  81          3HG1      VAL  81  -8.235  -9.656  -6.367
  546   1HG2  VAL  81          1HG2      VAL  81  -5.585 -11.606  -4.070
  547   2HG2  VAL  81          2HG2      VAL  81  -6.824 -11.281  -2.859
  548   3HG2  VAL  81          3HG2      VAL  81  -7.213 -12.251  -4.279
  549    H    ALA  82           H        ALA  82  -7.343  -7.229  -5.316
  550    HA   ALA  82           HA       ALA  82  -6.855  -5.992  -2.703
  551   1HB   ALA  82          1HB       ALA  82  -5.935  -4.138  -3.541
  552   2HB   ALA  82          2HB       ALA  82  -5.757  -5.017  -5.060
  553   3HB   ALA  82          3HB       ALA  82  -7.176  -4.005  -4.789
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1 -10.047   7.364   6.749
    2   2H    ALA   1          2H        ALA   1  -9.108   7.198   8.149
    3   3H    ALA   1          3H        ALA   1 -10.307   6.053   7.792
    4    HA   ALA   1           HA       ALA   1  -8.380   6.386   5.696
    5   1HB   ALA   1          1HB       ALA   1  -6.968   6.742   7.713
    6   2HB   ALA   1          2HB       ALA   1  -7.462   5.148   8.286
    7   3HB   ALA   1          3HB       ALA   1  -6.541   5.301   6.789
    8    H    THR   2           H        THR   2  -7.352   3.820   5.794
    9    HA   THR   2           HA       THR   2  -9.787   2.221   5.477
   10    HB   THR   2           HB       THR   2  -7.369   0.880   4.635
   11    HG1  THR   2           1HG      THR   2  -6.464   2.873   4.214
   12   1HG2  THR   2          1HG2      THR   2  -9.025   0.055   3.382
   13   2HG2  THR   2          2HG2      THR   2  -8.873   1.509   2.396
   14   3HG2  THR   2          3HG2      THR   2 -10.059   1.447   3.700
   15    H    THR   3           H        THR   3 -10.315   1.183   7.307
   16    HA   THR   3           HA       THR   3  -8.325   0.390   9.231
   17    HB   THR   3           HB       THR   3 -11.218  -0.450   9.266
   18    HG1  THR   3           1HG      THR   3 -11.245   1.788   8.964
   19   1HG2  THR   3          1HG2      THR   3  -9.661   0.385  11.664
   20   2HG2  THR   3          2HG2      THR   3  -9.293  -1.182  10.943
   21   3HG2  THR   3          3HG2      THR   3 -10.927  -0.833  11.507
   22    H    ILE   4           H        ILE   4  -7.294  -1.473   9.315
   23    HA   ILE   4           HA       ILE   4  -7.868  -3.558   7.407
   24    HB   ILE   4           HB       ILE   4  -5.840  -3.655   9.643
   25   1HG1  ILE   4          1HG1      ILE   4  -5.237  -2.774   6.825
   26   2HG1  ILE   4          2HG1      ILE   4  -5.729  -1.603   8.072
   27   1HG2  ILE   4          1HG2      ILE   4  -5.138  -4.906   7.130
   28   2HG2  ILE   4          2HG2      ILE   4  -5.172  -5.584   8.759
   29   3HG2  ILE   4          3HG2      ILE   4  -6.643  -5.553   7.787
   30   1HD1  ILE   4          1HD1      ILE   4  -3.323  -3.433   8.201
   31   2HD1  ILE   4          2HD1      ILE   4  -3.300  -1.700   7.867
   32   3HD1  ILE   4          3HD1      ILE   4  -3.816  -2.287   9.448
   33    H    GLY   5           H        GLY   5  -9.810  -4.490   7.981
   34   1HA   GLY   5          1HA       GLY   5  -9.937  -5.726  10.648
   35   2HA   GLY   5          2HA       GLY   5 -11.323  -5.400   9.615
   36    HA   PRO   6           HA       PRO   6  -9.707  -9.829   9.050
   37   1HB   PRO   6          1HB       PRO   6 -11.751 -11.189  10.251
   38   2HB   PRO   6          2HB       PRO   6 -10.329 -10.564  11.148
   39   1HG   PRO   6          1HG       PRO   6 -13.032  -9.326  10.857
   40   2HG   PRO   6          2HG       PRO   6 -12.078  -9.583  12.355
   41   1HD   PRO   6          1HD       PRO   6 -12.161  -7.193  11.060
   42   2HD   PRO   6          2HD       PRO   6 -10.665  -7.781  11.847
   43    H    ASN   7           H        ASN   7 -12.541  -8.002   8.503
   44    HA   ASN   7           HA       ASN   7 -13.439  -9.869   6.419
   45   1HB   ASN   7          1HB       ASN   7 -14.859  -7.799   8.074
   46   2HB   ASN   7          2HB       ASN   7 -15.515  -8.272   6.491
   47   1HD2  ASN   7          1HD2      ASN   7 -14.328 -11.027   6.963
   48   2HD2  ASN   7          2HD2      ASN   7 -15.476 -11.806   7.999
   49    H    THR   8           H        THR   8 -11.207  -8.476   5.842
   50    HA   THR   8           HA       THR   8 -11.705  -6.012   4.510
   51    HB   THR   8           HB       THR   8  -9.415  -7.201   3.388
   52    HG1  THR   8           1HG      THR   8  -9.181  -7.536   6.169
   53   1HG2  THR   8          1HG2      THR   8  -8.292  -5.670   5.169
   54   2HG2  THR   8          2HG2      THR   8  -9.946  -5.180   5.539
   55   3HG2  THR   8          3HG2      THR   8  -9.295  -4.939   3.918
   56    H    CYS   9           H        CYS   9 -10.703  -9.151   3.160
   57    HA   CYS   9           HA       CYS   9 -12.448  -8.619   0.850
   58   1HB   CYS   9          1HB       CYS   9 -10.148 -10.442   0.469
   59   2HB   CYS   9          2HB       CYS   9 -10.829  -9.228  -0.626
   60    H    SER  10           H        SER  10 -13.946 -10.128   0.442
   61    HA   SER  10           HA       SER  10 -14.094 -12.442   2.170
   62   1HB   SER  10          1HB       SER  10 -16.099 -12.202   0.029
   63   2HB   SER  10          2HB       SER  10 -16.320 -12.355   1.788
   64    HG   SER  10           HG       SER  10 -16.021 -10.164   2.010
   65    H    ILE  11           H        ILE  11 -12.207 -13.534   1.310
   66    HA   ILE  11           HA       ILE  11 -12.878 -15.220  -0.974
   67    HB   ILE  11           HB       ILE  11 -10.289 -14.910  -1.562
   68   1HG1  ILE  11          1HG1      ILE  11 -11.173 -12.219  -0.485
   69   2HG1  ILE  11          2HG1      ILE  11  -9.838 -13.227   0.124
   70   1HG2  ILE  11          1HG2      ILE  11 -11.206 -14.347  -3.504
   71   2HG2  ILE  11          2HG2      ILE  11 -12.749 -14.122  -2.679
   72   3HG2  ILE  11          3HG2      ILE  11 -11.646 -12.760  -2.876
   73   1HD1  ILE  11          1HD1      ILE  11  -9.772 -12.329  -2.719
   74   2HD1  ILE  11          2HD1      ILE  11  -9.389 -11.168  -1.449
   75   3HD1  ILE  11          3HD1      ILE  11  -8.444 -12.648  -1.602
   76    H    ASP  12           H        ASP  12 -10.434 -16.493  -1.180
   77    HA   ASP  12           HA       ASP  12 -10.427 -18.336   0.931
   78   1HB   ASP  12          1HB       ASP  12  -9.585 -18.909  -1.268
   79   2HB   ASP  12          2HB       ASP  12  -8.335 -17.651  -1.156
   80    H    ASP  13           H        ASP  13  -8.493 -18.785   2.350
   81    HA   ASP  13           HA       ASP  13  -8.130 -16.695   4.155
   82   1HB   ASP  13          1HB       ASP  13  -7.797 -19.223   4.501
   83   2HB   ASP  13          2HB       ASP  13  -6.157 -18.958   3.868
   84    H    TYR  14           H        TYR  14  -7.264 -14.833   3.583
   85    HA   TYR  14           HA       TYR  14  -4.634 -14.844   2.257
   86   1HB   TYR  14          1HB       TYR  14  -7.111 -13.268   1.748
   87   2HB   TYR  14          2HB       TYR  14  -5.575 -12.392   1.638
   88    HD1  TYR  14           1HD      TYR  14  -3.728 -13.592   0.179
   89    HD2  TYR  14           2HD      TYR  14  -7.904 -14.329  -0.163
   90    HE1  TYR  14           1HE      TYR  14  -3.380 -14.463  -2.089
   91    HE2  TYR  14           2HE      TYR  14  -7.571 -15.199  -2.436
   92    HH   TYR  14           HH       TYR  14  -5.996 -15.959  -3.912
   93    H    LYS  15           H        LYS  15  -3.358 -12.841   2.726
   94    HA   LYS  15           HA       LYS  15  -3.910 -11.883   5.454
   95   1HB   LYS  15          1HB       LYS  15  -1.198 -11.507   4.294
   96   2HB   LYS  15          2HB       LYS  15  -1.683 -11.887   5.963
   97   1HG   LYS  15          1HG       LYS  15  -1.535 -14.115   5.639
   98   2HG   LYS  15          2HG       LYS  15  -2.155 -14.024   3.973
   99   1HD   LYS  15          1HD       LYS  15  -0.089 -13.884   3.084
  100   2HD   LYS  15          2HD       LYS  15   0.481 -12.766   4.346
  101   1HE   LYS  15          1HE       LYS  15   0.074 -15.722   4.833
  102   2HE   LYS  15          2HE       LYS  15   1.608 -15.046   4.244
  103   1HZ   LYS  15          1HZ       LYS  15   0.425 -13.831   6.635
  104   2HZ   LYS  15          2HZ       LYS  15   2.054 -14.085   6.234
  105   3HZ   LYS  15          3HZ       LYS  15   1.107 -15.375   6.800
  106    HA   PRO  16           HA       PRO  16  -4.460  -7.918   3.565
  107   1HB   PRO  16          1HB       PRO  16  -4.175  -6.677   6.200
  108   2HB   PRO  16          2HB       PRO  16  -5.648  -6.953   5.214
  109   1HG   PRO  16          1HG       PRO  16  -5.110  -8.234   7.551
  110   2HG   PRO  16          2HG       PRO  16  -6.196  -8.875   6.275
  111   1HD   PRO  16          1HD       PRO  16  -3.337  -9.566   6.953
  112   2HD   PRO  16          2HD       PRO  16  -4.666 -10.622   6.384
  113    H    TYR  17           H        TYR  17  -3.043  -6.610   2.616
  114    HA   TYR  17           HA       TYR  17  -0.452  -6.160   3.950
  115   1HB   TYR  17          1HB       TYR  17  -1.089  -6.910   1.110
  116   2HB   TYR  17          2HB       TYR  17   0.386  -6.002   1.485
  117    HD1  TYR  17           1HD      TYR  17  -1.267  -9.234   1.640
  118    HD2  TYR  17           2HD      TYR  17   2.114  -7.021   2.954
  119    HE1  TYR  17           1HE      TYR  17  -0.142 -11.325   2.236
  120    HE2  TYR  17           2HE      TYR  17   3.257  -9.107   3.547
  121    HH   TYR  17           HH       TYR  17   3.096 -11.579   2.773
  122    H    CYS  18           H        CYS  18   0.276  -4.130   4.009
  123    HA   CYS  18           HA       CYS  18  -1.385  -2.066   2.738
  124   1HB   CYS  18          1HB       CYS  18   0.383  -2.048   5.181
  125   2HB   CYS  18          2HB       CYS  18  -0.134  -0.544   4.402
  126    H    CYS  19           H        CYS  19  -0.601  -1.291   0.922
  127    HA   CYS  19           HA       CYS  19   2.123  -0.325   0.814
  128   1HB   CYS  19          1HB       CYS  19   2.218  -1.544  -1.565
  129   2HB   CYS  19          2HB       CYS  19   2.831  -2.303  -0.087
  130    H    GLN  20           H        GLN  20   2.433   1.183  -0.944
  131    HA   GLN  20           HA       GLN  20  -0.035   2.470  -1.703
  132   1HB   GLN  20          1HB       GLN  20   2.395   3.459  -1.124
  133   2HB   GLN  20          2HB       GLN  20   2.545   3.345  -2.894
  134   1HG   GLN  20          1HG       GLN  20   0.302   4.606  -2.966
  135   2HG   GLN  20          2HG       GLN  20   0.616   4.984  -1.258
  136   1HE2  GLN  20          1HE2      GLN  20   1.131   5.933  -4.425
  137   2HE2  GLN  20          2HE2      GLN  20   2.383   7.094  -4.150
  138    H    SER  21           H        SER  21  -1.155   1.490  -3.249
  139    HA   SER  21           HA       SER  21   0.253   0.847  -5.756
  140   1HB   SER  21          1HB       SER  21  -2.252  -0.600  -4.944
  141   2HB   SER  21          2HB       SER  21  -0.955  -1.126  -6.044
  142    HG   SER  21           HG       SER  21  -0.630  -0.779  -3.235
  143    H    MET  22           H        MET  22  -2.449   2.328  -4.206
  144    HA   MET  22           HA       MET  22  -3.739   2.867  -6.770
  145   1HB   MET  22          1HB       MET  22  -4.935   2.102  -4.567
  146   2HB   MET  22          2HB       MET  22  -4.818   3.826  -4.141
  147   1HG   MET  22          1HG       MET  22  -6.908   2.742  -5.454
  148   2HG   MET  22          2HG       MET  22  -6.411   4.435  -5.615
  149   1HE   MET  22          1HE       MET  22  -5.365   0.854  -7.213
  150   2HE   MET  22          2HE       MET  22  -7.102   1.158  -7.238
  151   3HE   MET  22          3HE       MET  22  -6.190   1.124  -8.749
  152    H    SER  23           H        SER  23  -4.100   5.145  -4.177
  153    HA   SER  23           HA       SER  23  -2.529   7.093  -5.735
  154   1HB   SER  23          1HB       SER  23  -4.894   8.018  -4.166
  155   2HB   SER  23          2HB       SER  23  -4.228   8.637  -5.696
  156    HG   SER  23           HG       SER  23  -4.986   6.310  -6.368
  157    H    GLY  24           H        GLY  24  -1.687   8.899  -4.527
  158   1HA   GLY  24          1HA       GLY  24  -1.817   9.483  -1.892
  159   2HA   GLY  24          2HA       GLY  24  -0.755   8.082  -1.909
  160    HA   PRO  25           HA       PRO  25   2.008  11.730  -2.325
  161   1HB   PRO  25          1HB       PRO  25   3.953   9.861  -1.079
  162   2HB   PRO  25          2HB       PRO  25   3.413  11.494  -0.570
  163   1HG   PRO  25          1HG       PRO  25   2.704   9.267   0.738
  164   2HG   PRO  25          2HG       PRO  25   1.656  10.721   0.664
  165   1HD   PRO  25          1HD       PRO  25   1.501   8.106  -0.838
  166   2HD   PRO  25          2HD       PRO  25   0.185   9.144  -0.210
  167    H    ALA  26           H        ALA  26   2.552  11.864  -4.433
  168    HA   ALA  26           HA       ALA  26   3.852   9.702  -5.831
  169   1HB   ALA  26          1HB       ALA  26   3.784  12.521  -6.840
  170   2HB   ALA  26          2HB       ALA  26   3.678  11.008  -7.741
  171   3HB   ALA  26          3HB       ALA  26   2.303  11.565  -6.788
  172    H    GLY  27           H        GLY  27   6.020   9.553  -6.382
  173   1HA   GLY  27          1HA       GLY  27   7.785  11.072  -4.613
  174   2HA   GLY  27          2HA       GLY  27   8.186   9.590  -5.459
  175    H    SER  28           H        SER  28   7.839  10.015  -8.015
  176    HA   SER  28           HA       SER  28   9.150  12.537  -8.715
  177   1HB   SER  28          1HB       SER  28  10.207   9.790  -9.453
  178   2HB   SER  28          2HB       SER  28  10.825  11.332 -10.094
  179    HG   SER  28           HG       SER  28  10.968  11.777  -7.621
  180    HA   PRO  29           HA       PRO  29   6.353  12.010 -12.177
  181   1HB   PRO  29          1HB       PRO  29   6.713  14.449 -13.292
  182   2HB   PRO  29          2HB       PRO  29   5.858  14.228 -11.731
  183   1HG   PRO  29          1HG       PRO  29   8.658  15.099 -12.222
  184   2HG   PRO  29          2HG       PRO  29   7.460  15.758 -11.061
  185   1HD   PRO  29          1HD       PRO  29   9.504  13.966 -10.445
  186   2HD   PRO  29          2HD       PRO  29   7.991  14.142  -9.505
  187    H    GLY  30           H        GLY  30   6.599  11.332 -14.267
  188   1HA   GLY  30          1HA       GLY  30   9.345  10.965 -15.192
  189   2HA   GLY  30          2HA       GLY  30   7.909  10.193 -15.850
  190    H    LEU  31           H        LEU  31   9.224  13.482 -15.476
  191    HA   LEU  31           HA       LEU  31   7.923  14.359 -17.900
  192   1HB   LEU  31          1HB       LEU  31   8.914  16.537 -17.415
  193   2HB   LEU  31          2HB       LEU  31   8.100  15.864 -15.982
  194    HG   LEU  31           HG       LEU  31  10.913  15.163 -16.014
  195   1HD1  LEU  31          1HD1      LEU  31  10.172  18.012 -16.489
  196   2HD1  LEU  31          2HD1      LEU  31  11.519  17.632 -15.415
  197   3HD1  LEU  31          3HD1      LEU  31  11.549  17.087 -17.091
  198   1HD2  LEU  31          1HD2      LEU  31   9.107  16.690 -14.151
  199   2HD2  LEU  31          2HD2      LEU  31   9.603  15.003 -14.027
  200   3HD2  LEU  31          3HD2      LEU  31  10.785  16.291 -13.785
  201    H    LEU  32           H        LEU  32  10.952  13.035 -17.033
  202    HA   LEU  32           HA       LEU  32  12.311  14.070 -19.394
  203   1HB   LEU  32          1HB       LEU  32  14.303  13.039 -18.520
  204   2HB   LEU  32          2HB       LEU  32  13.497  13.948 -17.219
  205    HG   LEU  32           HG       LEU  32  12.827  11.071 -17.405
  206   1HD1  LEU  32          1HD1      LEU  32  14.992  10.695 -15.987
  207   2HD1  LEU  32          2HD1      LEU  32  15.047  10.611 -17.747
  208   3HD1  LEU  32          3HD1      LEU  32  15.592  12.067 -16.916
  209   1HD2  LEU  32          1HD2      LEU  32  12.052  12.761 -15.671
  210   2HD2  LEU  32          2HD2      LEU  32  12.694  11.234 -15.067
  211   3HD2  LEU  32          3HD2      LEU  32  13.692  12.688 -15.030
  212    H    ASN  33           H        ASN  33  13.936  11.877 -20.010
  213    HA   ASN  33           HA       ASN  33  12.095  10.290 -21.558
  214   1HB   ASN  33          1HB       ASN  33  14.182  10.962 -22.594
  215   2HB   ASN  33          2HB       ASN  33  15.115  10.197 -21.290
  216   1HD2  ASN  33          1HD2      ASN  33  13.547   9.747 -24.292
  217   2HD2  ASN  33          2HD2      ASN  33  13.860   8.054 -24.463
  218    H    LEU  34           H        LEU  34  11.215   8.454 -20.952
  219    HA   LEU  34           HA       LEU  34  12.682   6.730 -19.085
  220   1HB   LEU  34          1HB       LEU  34  10.635   6.119 -17.938
  221   2HB   LEU  34          2HB       LEU  34  10.898   7.877 -17.836
  222    HG   LEU  34           HG       LEU  34   9.221   7.198 -20.102
  223   1HD1  LEU  34          1HD1      LEU  34   8.762   5.702 -17.677
  224   2HD1  LEU  34          2HD1      LEU  34   7.400   6.759 -18.045
  225   3HD1  LEU  34          3HD1      LEU  34   7.953   5.588 -19.241
  226   1HD2  LEU  34          1HD2      LEU  34   9.345   9.423 -19.227
  227   2HD2  LEU  34          2HD2      LEU  34   7.718   8.812 -18.934
  228   3HD2  LEU  34          3HD2      LEU  34   8.891   8.867 -17.616
  229    H    ILE  35           H        ILE  35  12.782   4.657 -19.685
  230    HA   ILE  35           HA       ILE  35  11.588   4.009 -22.270
  231    HB   ILE  35           HB       ILE  35  13.074   1.944 -22.073
  232   1HG1  ILE  35          1HG1      ILE  35  14.957   3.255 -20.299
  233   2HG1  ILE  35          2HG1      ILE  35  13.418   2.925 -19.467
  234   1HG2  ILE  35          1HG2      ILE  35  14.321   4.688 -22.153
  235   2HG2  ILE  35          2HG2      ILE  35  15.110   3.207 -22.696
  236   3HG2  ILE  35          3HG2      ILE  35  13.658   3.783 -23.515
  237   1HD1  ILE  35          1HD1      ILE  35  14.230   0.627 -20.994
  238   2HD1  ILE  35          2HD1      ILE  35  15.538   1.145 -19.932
  239   3HD1  ILE  35          3HD1      ILE  35  13.949   0.780 -19.259
  240    HA   PRO  36           HA       PRO  36   8.434   1.510 -20.389
  241   1HB   PRO  36          1HB       PRO  36   8.612  -0.181 -22.842
  242   2HB   PRO  36          2HB       PRO  36   7.239   0.755 -22.165
  243   1HG   PRO  36          1HG       PRO  36   8.546   1.523 -24.362
  244   2HG   PRO  36          2HG       PRO  36   7.813   2.697 -23.220
  245   1HD   PRO  36          1HD       PRO  36  10.687   1.880 -23.627
  246   2HD   PRO  36          2HD       PRO  36  10.001   3.473 -23.184
  247    H    VAL  37           H        VAL  37   8.855   0.090 -18.864
  248    HA   VAL  37           HA       VAL  37   9.885  -2.477 -19.228
  249    HB   VAL  37           HB       VAL  37  12.010  -1.137 -19.621
  250   1HG1  VAL  37          1HG1      VAL  37  12.796   0.324 -18.140
  251   2HG1  VAL  37          2HG1      VAL  37  11.233   0.209 -17.332
  252   3HG1  VAL  37          3HG1      VAL  37  12.578  -0.803 -16.800
  253   1HG2  VAL  37          1HG2      VAL  37  12.456  -2.834 -17.225
  254   2HG2  VAL  37          2HG2      VAL  37  11.712  -3.569 -18.645
  255   3HG2  VAL  37          3HG2      VAL  37  13.300  -2.813 -18.773
  256    H    ASP  38           H        ASP  38   9.728  -3.680 -17.328
  257    HA   ASP  38           HA       ASP  38   8.885  -2.165 -14.947
  258   1HB   ASP  38          1HB       ASP  38   6.971  -3.373 -15.798
  259   2HB   ASP  38          2HB       ASP  38   7.924  -4.868 -15.929
  260    H    LEU  39           H        LEU  39   9.996  -2.528 -13.129
  261    HA   LEU  39           HA       LEU  39  11.967  -4.716 -13.171
  262   1HB   LEU  39          1HB       LEU  39  12.280  -1.839 -12.743
  263   2HB   LEU  39          2HB       LEU  39  12.999  -2.821 -11.444
  264    HG   LEU  39           HG       LEU  39  14.039  -4.119 -13.518
  265   1HD1  LEU  39          1HD1      LEU  39  12.961  -1.669 -14.668
  266   2HD1  LEU  39          2HD1      LEU  39  14.683  -1.887 -14.978
  267   3HD1  LEU  39          3HD1      LEU  39  13.536  -3.138 -15.454
  268   1HD2  LEU  39          1HD2      LEU  39  16.046  -2.950 -13.144
  269   2HD2  LEU  39          2HD2      LEU  39  15.198  -1.473 -12.689
  270   3HD2  LEU  39          3HD2      LEU  39  15.161  -2.877 -11.621
  271    H    SER  40           H        SER  40   9.196  -3.723 -11.752
  272    HA   SER  40           HA       SER  40   9.727  -5.256  -9.349
  273   1HB   SER  40          1HB       SER  40   8.424  -3.072  -8.252
  274   2HB   SER  40          2HB       SER  40  10.160  -3.437  -8.096
  275    HG   SER  40           HG       SER  40   9.264  -2.076 -10.394
  276    H    ALA  41           H        ALA  41   8.197  -6.491 -10.809
  277    HA   ALA  41           HA       ALA  41   5.431  -5.635 -10.713
  278   1HB   ALA  41          1HB       ALA  41   6.023  -6.875 -12.644
  279   2HB   ALA  41          2HB       ALA  41   6.765  -8.154 -11.682
  280   3HB   ALA  41          3HB       ALA  41   5.014  -7.940 -11.664
  281    H    SER  42           H        SER  42   7.575  -7.073  -8.599
  282    HA   SER  42           HA       SER  42   5.708  -8.733  -7.185
  283   1HB   SER  42          1HB       SER  42   7.912  -7.991  -5.529
  284   2HB   SER  42          2HB       SER  42   7.614  -9.550  -6.335
  285    HG   SER  42           HG       SER  42   9.110  -9.071  -7.738
  286    H    LEU  43           H        LEU  43   5.689  -8.217  -4.645
  287    HA   LEU  43           HA       LEU  43   4.622  -5.482  -4.504
  288   1HB   LEU  43          1HB       LEU  43   3.555  -8.096  -3.629
  289   2HB   LEU  43          2HB       LEU  43   3.310  -6.735  -2.509
  290    HG   LEU  43           HG       LEU  43   1.367  -6.761  -3.809
  291   1HD1  LEU  43          1HD1      LEU  43   3.362  -4.736  -4.598
  292   2HD1  LEU  43          2HD1      LEU  43   1.914  -4.850  -5.603
  293   3HD1  LEU  43          3HD1      LEU  43   1.765  -4.541  -3.872
  294   1HD2  LEU  43          1HD2      LEU  43   1.839  -6.667  -6.453
  295   2HD2  LEU  43          2HD2      LEU  43   3.189  -7.680  -5.935
  296   3HD2  LEU  43          3HD2      LEU  43   1.529  -8.161  -5.568
  297    H    GLY  44           H        GLY  44   5.798  -4.198  -3.312
  298   1HA   GLY  44          1HA       GLY  44   7.441  -5.213  -1.143
  299   2HA   GLY  44          2HA       GLY  44   7.341  -3.542  -1.697
  300    H    CYS  45           H        CYS  45   4.944  -5.870  -0.538
  301    HA   CYS  45           HA       CYS  45   3.727  -3.750   1.041
  302   1HB   CYS  45          1HB       CYS  45   2.692  -6.525   0.448
  303   2HB   CYS  45          2HB       CYS  45   1.781  -5.187   1.166
  304    H    VAL  46           H        VAL  46   3.122  -4.087   3.233
  305    HA   VAL  46           HA       VAL  46   4.654  -6.218   4.561
  306    HB   VAL  46           HB       VAL  46   5.258  -3.696   4.958
  307   1HG1  VAL  46          1HG1      VAL  46   2.667  -3.955   6.315
  308   2HG1  VAL  46          2HG1      VAL  46   3.947  -3.207   7.268
  309   3HG1  VAL  46          3HG1      VAL  46   3.494  -2.522   5.706
  310   1HG2  VAL  46          1HG2      VAL  46   5.210  -6.012   6.773
  311   2HG2  VAL  46          2HG2      VAL  46   6.561  -5.015   6.233
  312   3HG2  VAL  46          3HG2      VAL  46   5.512  -4.449   7.531
  313    H    VAL  47           H        VAL  47   3.691  -7.124   6.464
  314    HA   VAL  47           HA       VAL  47   0.975  -7.799   5.965
  315    HB   VAL  47           HB       VAL  47   2.070  -8.512   8.609
  316   1HG1  VAL  47          1HG1      VAL  47   1.256 -10.515   6.587
  317   2HG1  VAL  47          2HG1      VAL  47   0.871 -10.411   8.306
  318   3HG1  VAL  47          3HG1      VAL  47   0.018  -9.391   7.149
  319   1HG2  VAL  47          1HG2      VAL  47   3.343 -10.348   6.964
  320   2HG2  VAL  47          2HG2      VAL  47   3.695  -8.786   6.223
  321   3HG2  VAL  47          3HG2      VAL  47   4.114  -9.076   7.912
  322    H    GLY  48           H        GLY  48  -0.742  -6.704   6.541
  323   1HA   GLY  48          1HA       GLY  48  -0.533  -4.566   8.481
  324   2HA   GLY  48          2HA       GLY  48  -1.941  -4.967   7.504
  325    H    VAL  49           H        VAL  49  -0.974  -4.734  10.560
  326    HA   VAL  49           HA       VAL  49  -2.104  -7.138  11.646
  327    HB   VAL  49           HB       VAL  49  -0.533  -6.284  13.102
  328   1HG1  VAL  49          1HG1      VAL  49  -0.927  -3.892  11.795
  329   2HG1  VAL  49          2HG1      VAL  49  -1.377  -3.534  13.463
  330   3HG1  VAL  49          3HG1      VAL  49   0.218  -4.193  13.102
  331   1HG2  VAL  49          1HG2      VAL  49  -3.247  -5.992  13.944
  332   2HG2  VAL  49          2HG2      VAL  49  -1.837  -6.478  14.884
  333   3HG2  VAL  49          3HG2      VAL  49  -2.252  -4.770  14.737
  334    H    ILE  50           H        ILE  50  -4.161  -7.549  12.009
  335    HA   ILE  50           HA       ILE  50  -6.211  -5.838  11.122
  336    HB   ILE  50           HB       ILE  50  -6.214  -8.377  12.737
  337   1HG1  ILE  50          1HG1      ILE  50  -7.797  -8.429  10.361
  338   2HG1  ILE  50          2HG1      ILE  50  -6.230  -7.677   9.976
  339   1HG2  ILE  50          1HG2      ILE  50  -8.180  -7.767  13.622
  340   2HG2  ILE  50          2HG2      ILE  50  -8.397  -6.444  12.476
  341   3HG2  ILE  50          3HG2      ILE  50  -8.822  -8.090  12.011
  342   1HD1  ILE  50          1HD1      ILE  50  -6.021 -10.107  11.600
  343   2HD1  ILE  50          2HD1      ILE  50  -6.731 -10.361  10.007
  344   3HD1  ILE  50          3HD1      ILE  50  -5.134  -9.623  10.154
  345    H    GLY  51           H        GLY  51  -7.268  -4.240  12.075
  346   1HA   GLY  51          1HA       GLY  51  -8.401  -3.440  14.114
  347   2HA   GLY  51          2HA       GLY  51  -6.958  -3.915  14.995
  348    H    SER  52           H        SER  52  -5.448  -2.847  12.517
  349    HA   SER  52           HA       SER  52  -5.280  -0.108  13.532
  350   1HB   SER  52          1HB       SER  52  -3.349  -1.050  11.485
  351   2HB   SER  52          2HB       SER  52  -3.069  -0.130  12.982
  352    HG   SER  52           HG       SER  52  -3.404  -2.930  12.649
  353    H    GLN  53           H        GLN  53  -4.856   1.632  11.917
  354    HA   GLN  53           HA       GLN  53  -6.524   1.229   9.529
  355   1HB   GLN  53          1HB       GLN  53  -6.120   3.529  11.388
  356   2HB   GLN  53          2HB       GLN  53  -6.437   3.889   9.674
  357   1HG   GLN  53          1HG       GLN  53  -8.605   3.661  10.078
  358   2HG   GLN  53          2HG       GLN  53  -8.323   1.939  10.414
  359   1HE2  GLN  53          1HE2      GLN  53 -10.274   3.728  11.588
  360   2HE2  GLN  53          2HE2      GLN  53  -9.966   3.765  13.290
  361    H    CYS  54           H        CYS  54  -5.662   1.518   7.571
  362    HA   CYS  54           HA       CYS  54  -2.884   2.496   7.422
  363   1HB   CYS  54          1HB       CYS  54  -4.301   0.231   6.197
  364   2HB   CYS  54          2HB       CYS  54  -3.375   1.196   5.035
  365    H    GLY  55           H        GLY  55  -2.320   3.979   5.836
  366   1HA   GLY  55          1HA       GLY  55  -4.588   5.426   4.643
  367   2HA   GLY  55          2HA       GLY  55  -2.964   6.061   4.874
  368    H    ALA  56           H        ALA  56  -2.185   3.222   3.854
  369    HA   ALA  56           HA       ALA  56  -2.112   3.967   1.036
  370   1HB   ALA  56          1HB       ALA  56  -0.509   2.071   0.843
  371   2HB   ALA  56          2HB       ALA  56   0.002   3.321   1.976
  372   3HB   ALA  56          3HB       ALA  56  -0.674   1.809   2.579
  373    H    SER  57           H        SER  57  -2.087   1.693  -0.333
  374    HA   SER  57           HA       SER  57  -4.839   0.873  -0.202
  375   1HB   SER  57          1HB       SER  57  -3.106  -0.583  -2.076
  376   2HB   SER  57          2HB       SER  57  -4.575   0.371  -2.390
  377    HG   SER  57           HG       SER  57  -3.054   2.258  -1.955
  378    H    VAL  58           H        VAL  58  -5.595  -0.852   0.822
  379    HA   VAL  58           HA       VAL  58  -3.703  -2.843   1.826
  380    HB   VAL  58           HB       VAL  58  -6.638  -2.752   2.494
  381   1HG1  VAL  58          1HG1      VAL  58  -6.113  -4.508   3.748
  382   2HG1  VAL  58          2HG1      VAL  58  -4.429  -4.393   3.233
  383   3HG1  VAL  58          3HG1      VAL  58  -4.978  -3.512   4.660
  384   1HG2  VAL  58          1HG2      VAL  58  -5.966  -0.562   3.064
  385   2HG2  VAL  58          2HG2      VAL  58  -5.893  -1.483   4.567
  386   3HG2  VAL  58          3HG2      VAL  58  -4.410  -1.117   3.685
  387    H    LYS  59           H        LYS  59  -3.436  -4.663   0.778
  388    HA   LYS  59           HA       LYS  59  -5.587  -5.626  -0.995
  389   1HB   LYS  59          1HB       LYS  59  -2.735  -6.533  -1.244
  390   2HB   LYS  59          2HB       LYS  59  -4.012  -6.477  -2.482
  391   1HG   LYS  59          1HG       LYS  59  -3.858  -4.005  -2.472
  392   2HG   LYS  59          2HG       LYS  59  -2.506  -4.122  -1.320
  393   1HD   LYS  59          1HD       LYS  59  -1.880  -3.836  -3.773
  394   2HD   LYS  59          2HD       LYS  59  -1.107  -5.188  -2.912
  395   1HE   LYS  59          1HE       LYS  59  -2.398  -6.794  -4.003
  396   2HE   LYS  59          2HE       LYS  59  -3.662  -5.624  -4.441
  397   1HZ   LYS  59          1HZ       LYS  59  -2.685  -5.437  -6.403
  398   2HZ   LYS  59          2HZ       LYS  59  -1.398  -6.435  -5.930
  399   3HZ   LYS  59          3HZ       LYS  59  -1.317  -4.761  -5.666
  400    H    CYS  60           H        CYS  60  -5.478  -8.055  -1.322
  401    HA   CYS  60           HA       CYS  60  -4.928  -9.386   1.248
  402   1HB   CYS  60          1HB       CYS  60  -7.166  -9.650  -0.730
  403   2HB   CYS  60          2HB       CYS  60  -6.652 -11.096   0.154
  404    H    CYS  61           H        CYS  61  -3.004 -10.383   0.989
  405    HA   CYS  61           HA       CYS  61  -2.592 -11.878  -1.507
  406   1HB   CYS  61          1HB       CYS  61  -0.303 -10.415  -0.238
  407   2HB   CYS  61          2HB       CYS  61  -0.482 -10.987  -1.905
  408    H    LYS  62           H        LYS  62  -0.999 -13.503  -1.428
  409    HA   LYS  62           HA       LYS  62   0.306 -14.164   1.043
  410   1HB   LYS  62          1HB       LYS  62  -0.561 -16.390   1.289
  411   2HB   LYS  62          2HB       LYS  62  -1.941 -15.265   1.258
  412   1HG   LYS  62          1HG       LYS  62  -2.561 -15.919  -0.916
  413   2HG   LYS  62          2HG       LYS  62  -1.005 -16.734  -1.204
  414   1HD   LYS  62          1HD       LYS  62  -1.823 -18.645  -0.403
  415   2HD   LYS  62          2HD       LYS  62  -2.230 -17.853   1.138
  416   1HE   LYS  62          1HE       LYS  62  -4.291 -16.939  -0.192
  417   2HE   LYS  62          2HE       LYS  62  -3.938 -18.283  -1.301
  418   1HZ   LYS  62          1HZ       LYS  62  -3.918 -19.670   0.875
  419   2HZ   LYS  62          2HZ       LYS  62  -5.404 -19.225   0.175
  420   3HZ   LYS  62          3HZ       LYS  62  -4.811 -18.375   1.514
  421    H    ASP  63           H        ASP  63   1.880 -15.918   0.676
  422    HA   ASP  63           HA       ASP  63   2.566 -16.664  -1.995
  423   1HB   ASP  63          1HB       ASP  63   3.252 -14.070  -1.366
  424   2HB   ASP  63          2HB       ASP  63   4.727 -14.965  -0.940
  425    H    ASP  64           H        ASP  64   5.151 -17.210  -1.872
  426    HA   ASP  64           HA       ASP  64   5.352 -19.093   0.322
  427   1HB   ASP  64          1HB       ASP  64   6.080 -19.599  -2.073
  428   2HB   ASP  64          2HB       ASP  64   7.480 -18.552  -1.755
  429    H    VAL  65           H        VAL  65   5.295 -17.175   1.802
  430    HA   VAL  65           HA       VAL  65   8.078 -16.407   2.387
  431    HB   VAL  65           HB       VAL  65   6.282 -14.672   3.769
  432   1HG1  VAL  65          1HG1      VAL  65   8.759 -14.507   2.884
  433   2HG1  VAL  65          2HG1      VAL  65   7.971 -13.720   1.516
  434   3HG1  VAL  65          3HG1      VAL  65   7.777 -13.065   3.143
  435   1HG2  VAL  65          1HG2      VAL  65   4.710 -15.140   1.914
  436   2HG2  VAL  65          2HG2      VAL  65   5.236 -13.457   1.962
  437   3HG2  VAL  65          3HG2      VAL  65   5.924 -14.563   0.774
  438    H    THR  66           H        THR  66   8.707 -17.688   3.970
  439    HA   THR  66           HA       THR  66   6.822 -18.817   5.812
  440    HB   THR  66           HB       THR  66   9.297 -19.530   6.742
  441    HG1  THR  66           1HG      THR  66   9.564 -19.694   3.933
  442   1HG2  THR  66          1HG2      THR  66   8.874 -21.517   5.041
  443   2HG2  THR  66          2HG2      THR  66   7.316 -20.710   4.866
  444   3HG2  THR  66          3HG2      THR  66   7.844 -21.274   6.452
  445    H    ASN  67           H        ASN  67   9.932 -17.433   6.519
  446    HA   ASN  67           HA       ASN  67   8.775 -15.474   8.316
  447   1HB   ASN  67          1HB       ASN  67  10.009 -16.161  10.275
  448   2HB   ASN  67          2HB       ASN  67   9.043 -17.537   9.700
  449   1HD2  ASN  67          1HD2      ASN  67  10.063 -19.333   8.892
  450   2HD2  ASN  67          2HD2      ASN  67  11.778 -19.591   9.024
  451    H    THR  68           H        THR  68  10.132 -13.753   8.762
  452    HA   THR  68           HA       THR  68  12.884 -13.830   7.804
  453    HB   THR  68           HB       THR  68  11.382 -11.438   6.898
  454    HG1  THR  68           1HG      THR  68  10.918 -14.029   5.923
  455   1HG2  THR  68          1HG2      THR  68  13.844 -11.829   6.581
  456   2HG2  THR  68          2HG2      THR  68  12.956 -11.486   5.097
  457   3HG2  THR  68          3HG2      THR  68  13.429 -13.142   5.478
  458    H    GLY  69           H        GLY  69  14.081 -12.974   9.364
  459   1HA   GLY  69          1HA       GLY  69  12.881 -11.368  11.446
  460   2HA   GLY  69          2HA       GLY  69  14.561 -11.879  11.353
  461    H    ASN  70           H        ASN  70  12.537  -9.985   9.153
  462    HA   ASN  70           HA       ASN  70  14.512  -7.803   9.320
  463   1HB   ASN  70          1HB       ASN  70  14.116  -9.370   7.118
  464   2HB   ASN  70          2HB       ASN  70  12.951  -8.063   6.817
  465   1HD2  ASN  70          1HD2      ASN  70  15.278  -8.635   5.278
  466   2HD2  ASN  70          2HD2      ASN  70  16.320  -7.255   5.380
  467    H    SER  71           H        SER  71  13.453  -5.722   8.319
  468    HA   SER  71           HA       SER  71  11.262  -5.030   9.957
  469   1HB   SER  71          1HB       SER  71  11.707  -3.292   7.637
  470   2HB   SER  71          2HB       SER  71  11.812  -2.923   9.375
  471    HG   SER  71           HG       SER  71  13.899  -3.192   9.282
  472    H    PHE  72           H        PHE  72  11.461  -6.323   6.765
  473    HA   PHE  72           HA       PHE  72   8.624  -6.649   6.634
  474   1HB   PHE  72          1HB       PHE  72   8.074  -4.870   5.403
  475   2HB   PHE  72          2HB       PHE  72   9.749  -4.301   5.495
  476    HD1  PHE  72           1HD      PHE  72  11.329  -4.818   3.671
  477    HD2  PHE  72           2HD      PHE  72   7.207  -5.836   3.413
  478    HE1  PHE  72           1HE      PHE  72  11.554  -5.107   1.235
  479    HE2  PHE  72           2HE      PHE  72   7.426  -6.133   0.986
  480    HZ   PHE  72           HZ       PHE  72   9.601  -5.768  -0.107
  481    H    LEU  73           H        LEU  73   7.993  -8.102   4.953
  482    HA   LEU  73           HA       LEU  73  10.245  -9.612   3.810
  483   1HB   LEU  73          1HB       LEU  73   8.264 -11.392   3.636
  484   2HB   LEU  73          2HB       LEU  73   9.274 -11.222   5.091
  485    HG   LEU  73           HG       LEU  73   7.079  -9.429   5.345
  486   1HD1  LEU  73          1HD1      LEU  73   6.235 -11.281   3.613
  487   2HD1  LEU  73          2HD1      LEU  73   5.937 -12.143   5.122
  488   3HD1  LEU  73          3HD1      LEU  73   5.192 -10.570   4.845
  489   1HD2  LEU  73          1HD2      LEU  73   7.337 -12.057   6.758
  490   2HD2  LEU  73          2HD2      LEU  73   8.495 -10.758   7.040
  491   3HD2  LEU  73          3HD2      LEU  73   6.785 -10.502   7.384
  492    H    ILE  74           H        ILE  74  10.400  -9.652   1.657
  493    HA   ILE  74           HA       ILE  74   8.675  -8.089   0.061
  494    HB   ILE  74           HB       ILE  74  11.014  -8.289  -0.518
  495   1HG1  ILE  74          1HG1      ILE  74  10.717  -9.156  -2.960
  496   2HG1  ILE  74          2HG1      ILE  74   9.004  -9.314  -2.502
  497   1HG2  ILE  74          1HG2      ILE  74  12.022 -10.318  -1.322
  498   2HG2  ILE  74          2HG2      ILE  74  11.328 -10.607   0.274
  499   3HG2  ILE  74          3HG2      ILE  74  10.492 -11.183  -1.169
  500   1HD1  ILE  74          1HD1      ILE  74   8.730  -7.164  -2.987
  501   2HD1  ILE  74          2HD1      ILE  74   9.827  -6.748  -1.669
  502   3HD1  ILE  74          3HD1      ILE  74  10.456  -6.975  -3.303
  503    H    ILE  75           H        ILE  75   7.049  -8.592  -1.274
  504    HA   ILE  75           HA       ILE  75   5.984 -11.313  -1.115
  505    HB   ILE  75           HB       ILE  75   4.634  -8.811  -2.148
  506   1HG1  ILE  75          1HG1      ILE  75   5.156  -8.475   0.174
  507   2HG1  ILE  75          2HG1      ILE  75   3.419  -8.835   0.025
  508   1HG2  ILE  75          1HG2      ILE  75   3.851 -11.220  -2.776
  509   2HG2  ILE  75          2HG2      ILE  75   3.193 -11.213  -1.138
  510   3HG2  ILE  75          3HG2      ILE  75   2.678  -9.989  -2.300
  511   1HD1  ILE  75          1HD1      ILE  75   4.127 -11.273   0.537
  512   2HD1  ILE  75          2HD1      ILE  75   5.620 -10.545   1.131
  513   3HD1  ILE  75          3HD1      ILE  75   4.075 -10.102   1.855
  514    H    ASN  76           H        ASN  76   6.316 -12.639  -2.744
  515    HA   ASN  76           HA       ASN  76   7.619 -11.911  -5.129
  516   1HB   ASN  76          1HB       ASN  76   7.990 -14.107  -4.444
  517   2HB   ASN  76          2HB       ASN  76   6.269 -14.396  -4.112
  518   1HD2  ASN  76          1HD2      ASN  76   5.297 -15.653  -5.479
  519   2HD2  ASN  76          2HD2      ASN  76   5.705 -15.896  -7.148
  520    H    ALA  77           H        ALA  77   4.286 -12.112  -4.262
  521    HA   ALA  77           HA       ALA  77   2.466 -11.148  -5.233
  522   1HB   ALA  77          1HB       ALA  77   2.537  -9.940  -7.280
  523   2HB   ALA  77          2HB       ALA  77   4.039  -9.594  -6.426
  524   3HB   ALA  77          3HB       ALA  77   4.032 -10.732  -7.772
  525    H    ALA  78           H        ALA  78   3.219 -13.939  -5.262
  526    HA   ALA  78           HA       ALA  78   2.309 -15.087  -7.725
  527   1HB   ALA  78          1HB       ALA  78   3.410 -16.772  -6.777
  528   2HB   ALA  78          2HB       ALA  78   3.318 -16.031  -5.179
  529   3HB   ALA  78          3HB       ALA  78   1.982 -17.018  -5.771
  530    H    ASN  79           H        ASN  79   0.872 -14.914  -4.454
  531    HA   ASN  79           HA       ASN  79  -1.766 -15.100  -5.759
  532   1HB   ASN  79          1HB       ASN  79  -1.480 -15.941  -2.911
  533   2HB   ASN  79          2HB       ASN  79  -2.562 -16.563  -4.176
  534   1HD2  ASN  79          1HD2      ASN  79   0.753 -16.618  -2.971
  535   2HD2  ASN  79          2HD2      ASN  79   1.170 -18.156  -3.656
  536    H    CYS  80           H        CYS  80  -1.537 -12.721  -5.819
  537    HA   CYS  80           HA       CYS  80  -2.520 -11.608  -3.288
  538   1HB   CYS  80          1HB       CYS  80  -0.220 -10.944  -3.325
  539   2HB   CYS  80          2HB       CYS  80  -0.322 -10.478  -5.031
  540    H    VAL  81           H        VAL  81  -4.303 -10.377  -3.524
  541    HA   VAL  81           HA       VAL  81  -4.973  -9.474  -6.240
  542    HB   VAL  81           HB       VAL  81  -7.433 -10.063  -5.468
  543   1HG1  VAL  81          1HG1      VAL  81  -7.395 -11.736  -7.010
  544   2HG1  VAL  81          2HG1      VAL  81  -5.844 -10.979  -7.373
  545   3HG1  VAL  81          3HG1      VAL  81  -5.904 -12.437  -6.382
  546   1HG2  VAL  81          1HG2      VAL  81  -5.693 -11.739  -3.729
  547   2HG2  VAL  81          2HG2      VAL  81  -7.257 -11.000  -3.390
  548   3HG2  VAL  81          3HG2      VAL  81  -7.165 -12.451  -4.387
  549    H    ALA  82           H        ALA  82  -6.362  -7.715  -6.384
  550    HA   ALA  82           HA       ALA  82  -7.259  -6.403  -3.935
  551   1HB   ALA  82          1HB       ALA  82  -5.898  -4.636  -4.062
  552   2HB   ALA  82          2HB       ALA  82  -4.941  -5.560  -5.220
  553   3HB   ALA  82          3HB       ALA  82  -6.188  -4.452  -5.792
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  -7.446   7.480   6.048
    2   2H    ALA   1          2H        ALA   1  -8.666   6.649   6.877
    3   3H    ALA   1          3H        ALA   1  -8.526   6.491   5.195
    4    HA   ALA   1           HA       ALA   1  -6.534   5.283   5.352
    5   1HB   ALA   1          1HB       ALA   1  -5.583   4.814   7.664
    6   2HB   ALA   1          2HB       ALA   1  -5.337   6.436   7.015
    7   3HB   ALA   1          3HB       ALA   1  -6.585   6.151   8.229
    8    H    THR   2           H        THR   2  -6.663   3.074   5.450
    9    HA   THR   2           HA       THR   2  -9.228   2.033   6.283
   10    HB   THR   2           HB       THR   2  -6.958   0.450   5.077
   11    HG1  THR   2           1HG      THR   2  -7.996   2.498   3.932
   12   1HG2  THR   2          1HG2      THR   2  -8.459  -1.179   5.530
   13   2HG2  THR   2          2HG2      THR   2  -9.280  -0.563   4.097
   14   3HG2  THR   2          3HG2      THR   2  -9.795  -0.040   5.701
   15    H    THR   3           H        THR   3  -9.596   1.226   8.220
   16    HA   THR   3           HA       THR   3  -7.416   0.242   9.885
   17    HB   THR   3           HB       THR   3 -10.272  -0.043  10.703
   18    HG1  THR   3           1HG      THR   3 -10.181   2.059   9.748
   19   1HG2  THR   3          1HG2      THR   3  -8.118  -0.583  12.060
   20   2HG2  THR   3          2HG2      THR   3  -9.456   0.249  12.855
   21   3HG2  THR   3          3HG2      THR   3  -8.050   1.163  12.305
   22    H    ILE   4           H        ILE   4  -6.738  -1.768   9.435
   23    HA   ILE   4           HA       ILE   4  -8.481  -3.594   8.031
   24    HB   ILE   4           HB       ILE   4  -5.576  -3.810   8.834
   25   1HG1  ILE   4          1HG1      ILE   4  -6.534  -3.858   6.018
   26   2HG1  ILE   4          2HG1      ILE   4  -6.658  -2.308   6.885
   27   1HG2  ILE   4          1HG2      ILE   4  -6.921  -6.008   8.721
   28   2HG2  ILE   4          2HG2      ILE   4  -6.973  -5.712   6.983
   29   3HG2  ILE   4          3HG2      ILE   4  -5.419  -5.895   7.801
   30   1HD1  ILE   4          1HD1      ILE   4  -4.094  -3.227   7.446
   31   2HD1  ILE   4          2HD1      ILE   4  -4.342  -3.607   5.740
   32   3HD1  ILE   4          3HD1      ILE   4  -4.540  -1.951   6.313
   33    H    GLY   5           H        GLY   5  -9.553  -5.219   8.841
   34   1HA   GLY   5          1HA       GLY   5  -8.784  -6.301  11.470
   35   2HA   GLY   5          2HA       GLY   5 -10.466  -5.913  11.113
   36    HA   PRO   6           HA       PRO   6  -9.499 -10.361   9.945
   37   1HB   PRO   6          1HB       PRO   6 -11.695 -11.462  11.183
   38   2HB   PRO   6          2HB       PRO   6 -10.122 -11.164  11.990
   39   1HG   PRO   6          1HG       PRO   6 -12.585  -9.484  12.032
   40   2HG   PRO   6          2HG       PRO   6 -11.548  -9.987  13.407
   41   1HD   PRO   6          1HD       PRO   6 -11.368  -7.532  12.276
   42   2HD   PRO   6          2HD       PRO   6  -9.910  -8.404  12.841
   43    H    ASN   7           H        ASN   7 -12.377  -8.370   9.767
   44    HA   ASN   7           HA       ASN   7 -13.504 -10.097   7.692
   45   1HB   ASN   7          1HB       ASN   7 -14.602  -8.021   9.517
   46   2HB   ASN   7          2HB       ASN   7 -15.368  -8.181   7.922
   47   1HD2  ASN   7          1HD2      ASN   7 -15.213  -9.371  11.058
   48   2HD2  ASN   7          2HD2      ASN   7 -16.144 -10.816  10.832
   49    H    THR   8           H        THR   8 -11.210  -7.960   7.555
   50    HA   THR   8           HA       THR   8 -12.207  -6.332   5.375
   51    HB   THR   8           HB       THR   8  -9.321  -6.571   6.206
   52    HG1  THR   8           1HG      THR   8 -11.332  -4.872   7.339
   53   1HG2  THR   8          1HG2      THR   8  -9.881  -5.317   4.137
   54   2HG2  THR   8          2HG2      THR   8  -9.159  -4.303   5.384
   55   3HG2  THR   8          3HG2      THR   8 -10.898  -4.243   5.098
   56    H    CYS   9           H        CYS   9 -10.581  -9.321   5.850
   57    HA   CYS   9           HA       CYS   9 -10.538  -9.717   2.949
   58   1HB   CYS   9          1HB       CYS   9  -8.216  -9.259   3.908
   59   2HB   CYS   9          2HB       CYS   9  -8.379 -10.804   4.759
   60    H    SER  10           H        SER  10 -12.114 -11.135   2.671
   61    HA   SER  10           HA       SER  10 -12.483 -13.241   4.694
   62   1HB   SER  10          1HB       SER  10 -14.614 -12.732   2.691
   63   2HB   SER  10          2HB       SER  10 -14.740 -13.044   4.439
   64    HG   SER  10           HG       SER  10 -14.417 -10.626   3.062
   65    H    ILE  11           H        ILE  11 -10.526 -13.464   2.590
   66    HA   ILE  11           HA       ILE  11 -11.725 -15.541   0.899
   67    HB   ILE  11           HB       ILE  11  -9.023 -14.665   0.176
   68   1HG1  ILE  11          1HG1      ILE  11 -11.356 -12.744  -0.076
   69   2HG1  ILE  11          2HG1      ILE  11  -9.921 -12.513   0.951
   70   1HG2  ILE  11          1HG2      ILE  11 -11.621 -15.028  -1.305
   71   2HG2  ILE  11          2HG2      ILE  11 -10.096 -14.592  -2.075
   72   3HG2  ILE  11          3HG2      ILE  11 -10.254 -16.140  -1.246
   73   1HD1  ILE  11          1HD1      ILE  11  -9.510 -11.196  -0.931
   74   2HD1  ILE  11          2HD1      ILE  11  -8.583 -12.666  -1.234
   75   3HD1  ILE  11          3HD1      ILE  11 -10.130 -12.417  -2.043
   76    H    ASP  12           H        ASP  12 -10.204 -17.344   0.340
   77    HA   ASP  12           HA       ASP  12  -9.538 -18.619   2.785
   78   1HB   ASP  12          1HB       ASP  12 -10.476 -19.828   0.866
   79   2HB   ASP  12          2HB       ASP  12  -8.995 -19.500  -0.059
   80    H    ASP  13           H        ASP  13  -7.829 -18.085   3.907
   81    HA   ASP  13           HA       ASP  13  -5.683 -17.845   4.578
   82   1HB   ASP  13          1HB       ASP  13  -5.716 -20.054   2.950
   83   2HB   ASP  13          2HB       ASP  13  -4.418 -19.079   2.229
   84    H    TYR  14           H        TYR  14  -6.833 -15.819   2.780
   85    HA   TYR  14           HA       TYR  14  -4.446 -14.808   1.438
   86   1HB   TYR  14          1HB       TYR  14  -7.370 -14.243   1.266
   87   2HB   TYR  14          2HB       TYR  14  -6.260 -12.911   0.902
   88    HD1  TYR  14           1HD      TYR  14  -7.792 -15.905  -0.343
   89    HD2  TYR  14           2HD      TYR  14  -4.479 -13.301  -0.889
   90    HE1  TYR  14           1HE      TYR  14  -7.463 -16.814  -2.602
   91    HE2  TYR  14           2HE      TYR  14  -4.134 -14.201  -3.149
   92    HH   TYR  14           HH       TYR  14  -5.306 -17.005  -4.203
   93    H    LYS  15           H        LYS  15  -3.167 -13.377   2.392
   94    HA   LYS  15           HA       LYS  15  -4.020 -12.197   4.919
   95   1HB   LYS  15          1HB       LYS  15  -1.312 -12.131   3.554
   96   2HB   LYS  15          2HB       LYS  15  -1.668 -11.587   5.211
   97   1HG   LYS  15          1HG       LYS  15  -1.965 -13.767   5.995
   98   2HG   LYS  15          2HG       LYS  15  -2.205 -14.425   4.359
   99   1HD   LYS  15          1HD       LYS  15   0.321 -13.325   4.206
  100   2HD   LYS  15          2HD       LYS  15   0.271 -13.963   5.867
  101   1HE   LYS  15          1HE       LYS  15  -0.588 -16.133   4.883
  102   2HE   LYS  15          2HE       LYS  15  -0.207 -15.465   3.281
  103   1HZ   LYS  15          1HZ       LYS  15   1.940 -15.328   5.240
  104   2HZ   LYS  15          2HZ       LYS  15   1.985 -15.745   3.595
  105   3HZ   LYS  15          3HZ       LYS  15   1.503 -16.893   4.749
  106    HA   PRO  16           HA       PRO  16  -4.803  -8.278   2.941
  107   1HB   PRO  16          1HB       PRO  16  -4.666  -7.062   5.621
  108   2HB   PRO  16          2HB       PRO  16  -6.069  -7.291   4.527
  109   1HG   PRO  16          1HG       PRO  16  -5.740  -8.645   6.844
  110   2HG   PRO  16          2HG       PRO  16  -6.683  -9.270   5.452
  111   1HD   PRO  16          1HD       PRO  16  -3.898  -9.939   6.400
  112   2HD   PRO  16          2HD       PRO  16  -5.143 -10.996   5.669
  113    H    TYR  17           H        TYR  17  -3.483  -6.738   2.155
  114    HA   TYR  17           HA       TYR  17  -0.992  -6.133   3.609
  115   1HB   TYR  17          1HB       TYR  17  -1.365  -6.912   0.728
  116   2HB   TYR  17          2HB       TYR  17  -0.028  -5.848   1.194
  117    HD1  TYR  17           1HD      TYR  17  -1.530  -9.151   2.117
  118    HD2  TYR  17           2HD      TYR  17   1.999  -6.806   1.791
  119    HE1  TYR  17           1HE      TYR  17  -0.180 -11.124   2.662
  120    HE2  TYR  17           2HE      TYR  17   3.367  -8.773   2.341
  121    HH   TYR  17           HH       TYR  17   3.129 -11.284   2.188
  122    H    CYS  18           H        CYS  18  -0.463  -4.013   3.680
  123    HA   CYS  18           HA       CYS  18  -2.207  -2.130   2.270
  124   1HB   CYS  18          1HB       CYS  18  -0.038  -1.089   3.999
  125   2HB   CYS  18          2HB       CYS  18  -1.732  -0.589   3.878
  126    H    CYS  19           H        CYS  19  -1.579  -1.519   0.317
  127    HA   CYS  19           HA       CYS  19   1.302  -1.499  -0.276
  128   1HB   CYS  19          1HB       CYS  19  -1.100  -2.169  -1.964
  129   2HB   CYS  19          2HB       CYS  19   0.445  -1.717  -2.704
  130    H    GLN  20           H        GLN  20   2.158   0.443  -0.560
  131    HA   GLN  20           HA       GLN  20   0.397   2.673  -1.261
  132   1HB   GLN  20          1HB       GLN  20   2.252   2.557   0.660
  133   2HB   GLN  20          2HB       GLN  20   3.285   3.095  -0.686
  134   1HG   GLN  20          1HG       GLN  20   1.060   4.740  -0.861
  135   2HG   GLN  20          2HG       GLN  20   1.325   4.570   0.888
  136   1HE2  GLN  20          1HE2      GLN  20   2.859   5.752   1.799
  137   2HE2  GLN  20          2HE2      GLN  20   4.054   6.682   0.961
  138    H    SER  21           H        SER  21   0.144   2.865  -3.377
  139    HA   SER  21           HA       SER  21   2.531   2.987  -5.063
  140   1HB   SER  21          1HB       SER  21   0.151   1.682  -6.279
  141   2HB   SER  21          2HB       SER  21   1.883   1.360  -6.534
  142    HG   SER  21           HG       SER  21   0.703   0.749  -4.051
  143    H    MET  22           H        MET  22   2.429   4.468  -6.695
  144    HA   MET  22           HA       MET  22   0.121   6.276  -6.607
  145   1HB   MET  22          1HB       MET  22   1.520   7.979  -7.445
  146   2HB   MET  22          2HB       MET  22   2.514   7.093  -6.263
  147   1HG   MET  22          1HG       MET  22   4.033   6.566  -7.803
  148   2HG   MET  22          2HG       MET  22   2.797   5.988  -8.933
  149   1HE   MET  22          1HE       MET  22   5.672   8.623  -9.738
  150   2HE   MET  22          2HE       MET  22   5.053   9.733  -8.517
  151   3HE   MET  22          3HE       MET  22   5.379   8.052  -8.097
  152    H    SER  23           H        SER  23  -0.607   7.235  -8.666
  153    HA   SER  23           HA       SER  23  -0.638   5.184 -10.776
  154   1HB   SER  23          1HB       SER  23  -2.725   7.177 -11.026
  155   2HB   SER  23          2HB       SER  23  -2.867   5.413 -10.835
  156    HG   SER  23           HG       SER  23  -3.846   6.540  -9.089
  157    H    GLY  24           H        GLY  24   1.539   6.541 -11.073
  158   1HA   GLY  24          1HA       GLY  24   1.033   8.949 -12.664
  159   2HA   GLY  24          2HA       GLY  24   2.593   8.429 -12.045
  160    HA   PRO  25           HA       PRO  25   2.444   7.236 -16.518
  161   1HB   PRO  25          1HB       PRO  25   5.031   8.547 -16.818
  162   2HB   PRO  25          2HB       PRO  25   3.445   8.969 -17.541
  163   1HG   PRO  25          1HG       PRO  25   4.746  10.471 -15.670
  164   2HG   PRO  25          2HG       PRO  25   2.984  10.550 -15.997
  165   1HD   PRO  25          1HD       PRO  25   4.515   9.168 -13.793
  166   2HD   PRO  25          2HD       PRO  25   2.919   9.978 -13.745
  167    H    ALA  26           H        ALA  26   3.006   5.172 -16.746
  168    HA   ALA  26           HA       ALA  26   5.680   4.338 -15.824
  169   1HB   ALA  26          1HB       ALA  26   4.113   2.040 -15.853
  170   2HB   ALA  26          2HB       ALA  26   4.680   2.921 -14.435
  171   3HB   ALA  26          3HB       ALA  26   3.093   3.276 -15.118
  172    H    GLY  27           H        GLY  27   3.492   4.589 -18.399
  173   1HA   GLY  27          1HA       GLY  27   5.019   2.622 -19.985
  174   2HA   GLY  27          2HA       GLY  27   3.393   3.175 -20.366
  175    H    SER  28           H        SER  28   5.774   5.415 -19.281
  176    HA   SER  28           HA       SER  28   5.489   6.991 -21.653
  177   1HB   SER  28          1HB       SER  28   7.582   7.932 -19.926
  178   2HB   SER  28          2HB       SER  28   5.965   8.623 -20.197
  179    HG   SER  28           HG       SER  28   6.499   7.910 -17.967
  180    HA   PRO  29           HA       PRO  29   9.267   5.282 -23.420
  181   1HB   PRO  29          1HB       PRO  29   8.581   5.708 -26.019
  182   2HB   PRO  29          2HB       PRO  29   7.866   4.398 -25.023
  183   1HG   PRO  29          1HG       PRO  29   6.664   6.915 -25.930
  184   2HG   PRO  29          2HG       PRO  29   5.872   5.364 -25.499
  185   1HD   PRO  29          1HD       PRO  29   6.184   7.768 -23.909
  186   2HD   PRO  29          2HD       PRO  29   5.414   6.223 -23.439
  187    H    GLY  30           H        GLY  30  10.674   6.908 -22.639
  188   1HA   GLY  30          1HA       GLY  30  10.947   9.227 -24.452
  189   2HA   GLY  30          2HA       GLY  30  11.098   9.395 -22.711
  190    H    LEU  31           H        LEU  31  12.580   6.897 -22.380
  191    HA   LEU  31           HA       LEU  31  15.168   7.989 -23.216
  192   1HB   LEU  31          1HB       LEU  31  14.172   6.710 -20.822
  193   2HB   LEU  31          2HB       LEU  31  15.614   5.872 -21.445
  194    HG   LEU  31           HG       LEU  31  15.771   8.830 -21.264
  195   1HD1  LEU  31          1HD1      LEU  31  14.615   7.757 -19.138
  196   2HD1  LEU  31          2HD1      LEU  31  16.284   7.348 -18.746
  197   3HD1  LEU  31          3HD1      LEU  31  15.824   9.032 -18.999
  198   1HD2  LEU  31          1HD2      LEU  31  18.020   8.439 -20.947
  199   2HD2  LEU  31          2HD2      LEU  31  17.754   6.856 -20.218
  200   3HD2  LEU  31          3HD2      LEU  31  17.563   7.071 -21.960
  201    H    LEU  32           H        LEU  32  15.739   7.191 -25.134
  202    HA   LEU  32           HA       LEU  32  15.165   4.445 -25.867
  203   1HB   LEU  32          1HB       LEU  32  17.012   6.079 -27.522
  204   2HB   LEU  32          2HB       LEU  32  15.657   5.033 -28.012
  205    HG   LEU  32           HG       LEU  32  15.132   7.657 -26.654
  206   1HD1  LEU  32          1HD1      LEU  32  15.681   8.909 -28.411
  207   2HD1  LEU  32          2HD1      LEU  32  16.634   7.528 -28.953
  208   3HD1  LEU  32          3HD1      LEU  32  14.992   7.757 -29.556
  209   1HD2  LEU  32          1HD2      LEU  32  13.637   5.709 -28.348
  210   2HD2  LEU  32          2HD2      LEU  32  13.157   6.503 -26.849
  211   3HD2  LEU  32          3HD2      LEU  32  13.166   7.409 -28.362
  212    H    ASN  33           H        ASN  33  17.456   5.930 -24.040
  213    HA   ASN  33           HA       ASN  33  19.586   4.052 -24.746
  214   1HB   ASN  33          1HB       ASN  33  20.061   6.519 -24.375
  215   2HB   ASN  33          2HB       ASN  33  19.673   6.247 -22.662
  216   1HD2  ASN  33          1HD2      ASN  33  21.615   6.551 -21.765
  217   2HD2  ASN  33          2HD2      ASN  33  23.022   5.596 -22.101
  218    H    LEU  34           H        LEU  34  16.893   3.958 -22.993
  219    HA   LEU  34           HA       LEU  34  18.077   2.614 -20.672
  220   1HB   LEU  34          1HB       LEU  34  15.817   4.317 -21.027
  221   2HB   LEU  34          2HB       LEU  34  15.226   2.717 -20.520
  222    HG   LEU  34           HG       LEU  34  15.742   4.509 -18.723
  223   1HD1  LEU  34          1HD1      LEU  34  15.195   2.531 -17.774
  224   2HD1  LEU  34          2HD1      LEU  34  16.360   1.620 -18.735
  225   3HD1  LEU  34          3HD1      LEU  34  16.906   2.554 -17.341
  226   1HD2  LEU  34          1HD2      LEU  34  18.277   3.878 -18.022
  227   2HD2  LEU  34          2HD2      LEU  34  18.417   3.911 -19.780
  228   3HD2  LEU  34          3HD2      LEU  34  17.827   5.331 -18.916
  229    H    ILE  35           H        ILE  35  17.023   0.601 -19.956
  230    HA   ILE  35           HA       ILE  35  16.339  -1.086 -22.261
  231    HB   ILE  35           HB       ILE  35  16.833  -2.974 -20.591
  232   1HG1  ILE  35          1HG1      ILE  35  18.776  -1.581 -19.071
  233   2HG1  ILE  35          2HG1      ILE  35  17.252  -0.674 -18.915
  234   1HG2  ILE  35          1HG2      ILE  35  19.445  -2.170 -20.809
  235   2HG2  ILE  35          2HG2      ILE  35  18.520  -3.018 -22.049
  236   3HG2  ILE  35          3HG2      ILE  35  18.646  -1.258 -22.091
  237   1HD1  ILE  35          1HD1      ILE  35  16.423  -2.197 -17.520
  238   2HD1  ILE  35          2HD1      ILE  35  16.798  -3.514 -18.633
  239   3HD1  ILE  35          3HD1      ILE  35  18.018  -2.953 -17.490
  240    HA   PRO  36           HA       PRO  36  12.224  -1.854 -20.736
  241   1HB   PRO  36          1HB       PRO  36  12.046  -4.616 -21.020
  242   2HB   PRO  36          2HB       PRO  36  11.868  -3.428 -22.353
  243   1HG   PRO  36          1HG       PRO  36  14.282  -4.985 -21.553
  244   2HG   PRO  36          2HG       PRO  36  13.609  -4.726 -23.195
  245   1HD   PRO  36          1HD       PRO  36  15.720  -3.316 -22.300
  246   2HD   PRO  36          2HD       PRO  36  14.435  -2.516 -23.255
  247    H    VAL  37           H        VAL  37  11.640  -1.794 -18.673
  248    HA   VAL  37           HA       VAL  37  13.273  -2.918 -16.611
  249    HB   VAL  37           HB       VAL  37  10.570  -2.061 -15.827
  250   1HG1  VAL  37          1HG1      VAL  37  11.645  -1.204 -14.003
  251   2HG1  VAL  37          2HG1      VAL  37  12.802  -2.446 -14.482
  252   3HG1  VAL  37          3HG1      VAL  37  13.085  -0.760 -14.921
  253   1HG2  VAL  37          1HG2      VAL  37  10.448  -0.287 -17.187
  254   2HG2  VAL  37          2HG2      VAL  37  11.732   0.399 -16.194
  255   3HG2  VAL  37          3HG2      VAL  37  12.131  -0.446 -17.690
  256    H    ASP  38           H        ASP  38  11.616  -3.880 -14.713
  257    HA   ASP  38           HA       ASP  38  11.151  -6.539 -15.701
  258   1HB   ASP  38          1HB       ASP  38  12.142  -5.652 -13.377
  259   2HB   ASP  38          2HB       ASP  38  10.431  -5.762 -12.911
  260    H    LEU  39           H        LEU  39   9.193  -7.695 -14.807
  261    HA   LEU  39           HA       LEU  39   6.800  -6.227 -15.580
  262   1HB   LEU  39          1HB       LEU  39   7.648  -9.041 -15.337
  263   2HB   LEU  39          2HB       LEU  39   5.961  -8.721 -14.866
  264    HG   LEU  39           HG       LEU  39   6.613  -7.457 -17.395
  265   1HD1  LEU  39          1HD1      LEU  39   6.790 -10.460 -17.373
  266   2HD1  LEU  39          2HD1      LEU  39   7.017  -9.366 -18.738
  267   3HD1  LEU  39          3HD1      LEU  39   8.206  -9.410 -17.436
  268   1HD2  LEU  39          1HD2      LEU  39   4.472  -8.846 -16.078
  269   2HD2  LEU  39          2HD2      LEU  39   4.417  -7.758 -17.466
  270   3HD2  LEU  39          3HD2      LEU  39   4.707  -9.481 -17.708
  271    H    SER  40           H        SER  40   8.097  -8.049 -12.846
  272    HA   SER  40           HA       SER  40   7.013  -6.325 -10.894
  273   1HB   SER  40          1HB       SER  40   5.561  -8.268  -9.855
  274   2HB   SER  40          2HB       SER  40   4.869  -7.206 -11.105
  275    HG   SER  40           HG       SER  40   4.539  -8.983 -12.179
  276    H    ALA  41           H        ALA  41   7.116  -9.824 -10.640
  277    HA   ALA  41           HA       ALA  41   8.513 -11.314  -9.666
  278   1HB   ALA  41          1HB       ALA  41  10.366  -9.170 -10.405
  279   2HB   ALA  41          2HB       ALA  41  10.920 -10.200  -9.085
  280   3HB   ALA  41          3HB       ALA  41  10.486 -10.913 -10.638
  281    H    SER  42           H        SER  42   8.917  -8.108  -8.142
  282    HA   SER  42           HA       SER  42   8.404  -9.416  -5.550
  283   1HB   SER  42          1HB       SER  42   9.886  -6.942  -5.279
  284   2HB   SER  42          2HB       SER  42  10.279  -8.565  -4.663
  285    HG   SER  42           HG       SER  42  11.201  -9.043  -6.700
  286    H    LEU  43           H        LEU  43   7.552  -7.892  -3.906
  287    HA   LEU  43           HA       LEU  43   6.542  -5.349  -4.868
  288   1HB   LEU  43          1HB       LEU  43   4.859  -7.625  -4.704
  289   2HB   LEU  43          2HB       LEU  43   4.436  -6.559  -3.343
  290    HG   LEU  43           HG       LEU  43   3.507  -6.376  -5.965
  291   1HD1  LEU  43          1HD1      LEU  43   2.060  -4.972  -5.011
  292   2HD1  LEU  43          2HD1      LEU  43   2.892  -5.370  -3.509
  293   3HD1  LEU  43          3HD1      LEU  43   3.334  -3.915  -4.404
  294   1HD2  LEU  43          1HD2      LEU  43   5.956  -5.127  -6.020
  295   2HD2  LEU  43          2HD2      LEU  43   4.613  -4.820  -7.128
  296   3HD2  LEU  43          3HD2      LEU  43   4.838  -3.794  -5.711
  297    H    GLY  44           H        GLY  44   6.294  -3.836  -3.235
  298   1HA   GLY  44          1HA       GLY  44   7.454  -4.702  -0.664
  299   2HA   GLY  44          2HA       GLY  44   7.628  -3.097  -1.357
  300    H    CYS  45           H        CYS  45   5.476  -5.292   0.299
  301    HA   CYS  45           HA       CYS  45   4.045  -2.982   1.355
  302   1HB   CYS  45          1HB       CYS  45   2.601  -5.448   0.385
  303   2HB   CYS  45          2HB       CYS  45   1.875  -3.982   1.063
  304    H    VAL  46           H        VAL  46   2.701  -3.622   3.306
  305    HA   VAL  46           HA       VAL  46   4.012  -5.870   4.689
  306    HB   VAL  46           HB       VAL  46   3.055  -4.294   6.731
  307   1HG1  VAL  46          1HG1      VAL  46   5.171  -4.460   7.427
  308   2HG1  VAL  46          2HG1      VAL  46   5.440  -5.385   5.951
  309   3HG1  VAL  46          3HG1      VAL  46   5.805  -3.661   5.989
  310   1HG2  VAL  46          1HG2      VAL  46   2.719  -2.533   4.862
  311   2HG2  VAL  46          2HG2      VAL  46   3.489  -2.045   6.370
  312   3HG2  VAL  46          3HG2      VAL  46   4.472  -2.357   4.939
  313    H    VAL  47           H        VAL  47   2.736  -7.052   6.173
  314    HA   VAL  47           HA       VAL  47   0.090  -7.533   5.307
  315    HB   VAL  47           HB       VAL  47   1.569  -8.467   7.774
  316   1HG1  VAL  47          1HG1      VAL  47  -0.286 -10.242   7.795
  317   2HG1  VAL  47          2HG1      VAL  47  -0.667  -8.644   8.440
  318   3HG1  VAL  47          3HG1      VAL  47  -1.206  -9.095   6.821
  319   1HG2  VAL  47          1HG2      VAL  47   1.028  -9.629   5.067
  320   2HG2  VAL  47          2HG2      VAL  47   2.565  -9.454   5.913
  321   3HG2  VAL  47          3HG2      VAL  47   1.399 -10.662   6.449
  322    H    GLY  48           H        GLY  48  -1.798  -6.799   5.991
  323   1HA   GLY  48          1HA       GLY  48  -1.921  -4.452   7.597
  324   2HA   GLY  48          2HA       GLY  48  -3.288  -5.351   6.954
  325    H    VAL  49           H        VAL  49  -1.070  -5.020   9.608
  326    HA   VAL  49           HA       VAL  49  -1.986  -7.099  11.245
  327    HB   VAL  49           HB       VAL  49  -1.316  -5.043  13.002
  328   1HG1  VAL  49          1HG1      VAL  49  -0.523  -7.577  12.490
  329   2HG1  VAL  49          2HG1      VAL  49   0.917  -6.676  12.011
  330   3HG1  VAL  49          3HG1      VAL  49   0.268  -6.501  13.641
  331   1HG2  VAL  49          1HG2      VAL  49  -0.457  -3.462  11.598
  332   2HG2  VAL  49          2HG2      VAL  49   0.983  -4.455  11.822
  333   3HG2  VAL  49          3HG2      VAL  49   0.001  -4.640  10.369
  334    H    ILE  50           H        ILE  50  -3.923  -7.410  12.058
  335    HA   ILE  50           HA       ILE  50  -6.067  -5.657  11.844
  336    HB   ILE  50           HB       ILE  50  -5.699  -8.008  13.713
  337   1HG1  ILE  50          1HG1      ILE  50  -7.577  -8.640  11.775
  338   2HG1  ILE  50          2HG1      ILE  50  -6.367  -7.688  10.882
  339   1HG2  ILE  50          1HG2      ILE  50  -8.060  -6.249  13.186
  340   2HG2  ILE  50          2HG2      ILE  50  -8.287  -7.945  13.618
  341   3HG2  ILE  50          3HG2      ILE  50  -7.440  -6.859  14.720
  342   1HD1  ILE  50          1HD1      ILE  50  -6.198 -10.400  11.981
  343   2HD1  ILE  50          2HD1      ILE  50  -5.299  -9.646  10.663
  344   3HD1  ILE  50          3HD1      ILE  50  -4.797  -9.389  12.333
  345    H    GLY  51           H        GLY  51  -6.435  -3.824  12.838
  346   1HA   GLY  51          1HA       GLY  51  -6.933  -2.744  14.993
  347   2HA   GLY  51          2HA       GLY  51  -5.470  -3.493  15.612
  348    H    SER  52           H        SER  52  -4.501  -2.772  12.684
  349    HA   SER  52           HA       SER  52  -3.540  -0.109  13.453
  350   1HB   SER  52          1HB       SER  52  -2.323  -1.594  11.171
  351   2HB   SER  52          2HB       SER  52  -1.553  -0.560  12.398
  352    HG   SER  52           HG       SER  52  -2.495  -3.233  12.712
  353    H    GLN  53           H        GLN  53  -3.149   1.389  11.584
  354    HA   GLN  53           HA       GLN  53  -5.300   1.128   9.594
  355   1HB   GLN  53          1HB       GLN  53  -4.309   3.632  10.978
  356   2HB   GLN  53          2HB       GLN  53  -5.469   3.610   9.629
  357   1HG   GLN  53          1HG       GLN  53  -6.994   2.239  11.027
  358   2HG   GLN  53          2HG       GLN  53  -5.853   2.408  12.379
  359   1HE2  GLN  53          1HE2      GLN  53  -8.673   3.487  11.350
  360   2HE2  GLN  53          2HE2      GLN  53  -8.653   5.112  11.952
  361    H    CYS  54           H        CYS  54  -4.643   1.142   7.563
  362    HA   CYS  54           HA       CYS  54  -1.920   2.104   7.000
  363   1HB   CYS  54          1HB       CYS  54  -3.633   0.079   5.528
  364   2HB   CYS  54          2HB       CYS  54  -2.051   0.646   4.969
  365    H    GLY  55           H        GLY  55  -1.736   3.914   5.872
  366   1HA   GLY  55          1HA       GLY  55  -4.114   5.088   4.668
  367   2HA   GLY  55          2HA       GLY  55  -2.565   5.885   4.907
  368    H    ALA  56           H        ALA  56  -3.741   3.028   3.155
  369    HA   ALA  56           HA       ALA  56  -2.902   4.097   0.618
  370   1HB   ALA  56          1HB       ALA  56  -1.090   2.762   0.157
  371   2HB   ALA  56          2HB       ALA  56  -0.847   3.048   1.881
  372   3HB   ALA  56          3HB       ALA  56  -1.559   1.532   1.328
  373    H    SER  57           H        SER  57  -2.817   1.735  -0.842
  374    HA   SER  57           HA       SER  57  -5.588   0.943  -0.758
  375   1HB   SER  57          1HB       SER  57  -3.776  -0.514  -2.573
  376   2HB   SER  57          2HB       SER  57  -5.288   0.357  -2.926
  377    HG   SER  57           HG       SER  57  -4.188   2.192  -3.228
  378    H    VAL  58           H        VAL  58  -6.401  -0.998  -0.093
  379    HA   VAL  58           HA       VAL  58  -4.484  -2.818   1.197
  380    HB   VAL  58           HB       VAL  58  -7.403  -2.330   1.815
  381   1HG1  VAL  58          1HG1      VAL  58  -5.665  -4.102   3.471
  382   2HG1  VAL  58          2HG1      VAL  58  -7.421  -4.074   3.316
  383   3HG1  VAL  58          3HG1      VAL  58  -6.433  -4.758   2.025
  384   1HG2  VAL  58          1HG2      VAL  58  -6.613  -1.482   3.920
  385   2HG2  VAL  58          2HG2      VAL  58  -4.949  -1.907   3.512
  386   3HG2  VAL  58          3HG2      VAL  58  -5.781  -0.633   2.618
  387    H    LYS  59           H        LYS  59  -4.219  -4.747   0.385
  388    HA   LYS  59           HA       LYS  59  -6.314  -5.897  -1.325
  389   1HB   LYS  59          1HB       LYS  59  -4.555  -6.769  -2.827
  390   2HB   LYS  59          2HB       LYS  59  -4.632  -4.990  -2.809
  391   1HG   LYS  59          1HG       LYS  59  -2.645  -4.802  -1.574
  392   2HG   LYS  59          2HG       LYS  59  -2.691  -6.508  -1.070
  393   1HD   LYS  59          1HD       LYS  59  -0.985  -6.053  -2.817
  394   2HD   LYS  59          2HD       LYS  59  -2.211  -7.237  -3.329
  395   1HE   LYS  59          1HE       LYS  59  -3.429  -5.129  -4.303
  396   2HE   LYS  59          2HE       LYS  59  -1.817  -4.389  -4.208
  397   1HZ   LYS  59          1HZ       LYS  59  -1.835  -5.278  -6.310
  398   2HZ   LYS  59          2HZ       LYS  59  -2.735  -6.646  -5.867
  399   3HZ   LYS  59          3HZ       LYS  59  -1.095  -6.535  -5.443
  400    H    CYS  60           H        CYS  60  -5.778  -8.292  -1.745
  401    HA   CYS  60           HA       CYS  60  -4.835  -9.468   0.792
  402   1HB   CYS  60          1HB       CYS  60  -7.001 -10.389  -1.111
  403   2HB   CYS  60          2HB       CYS  60  -6.352 -11.401   0.189
  404    H    CYS  61           H        CYS  61  -3.036 -10.624   0.624
  405    HA   CYS  61           HA       CYS  61  -2.417 -11.799  -2.002
  406   1HB   CYS  61          1HB       CYS  61  -0.609 -10.288  -0.121
  407   2HB   CYS  61          2HB       CYS  61   0.028 -11.384  -1.357
  408    H    LYS  62           H        LYS  62  -2.276 -13.897  -1.925
  409    HA   LYS  62           HA       LYS  62  -1.462 -15.282   0.496
  410   1HB   LYS  62          1HB       LYS  62  -3.244 -16.325  -0.780
  411   2HB   LYS  62          2HB       LYS  62  -2.256 -16.279  -2.260
  412   1HG   LYS  62          1HG       LYS  62  -2.172 -18.510  -1.521
  413   2HG   LYS  62          2HG       LYS  62  -0.617 -17.795  -1.031
  414   1HD   LYS  62          1HD       LYS  62  -1.504 -17.450   1.244
  415   2HD   LYS  62          2HD       LYS  62  -3.044 -18.193   0.748
  416   1HE   LYS  62          1HE       LYS  62  -2.197 -20.298   0.782
  417   2HE   LYS  62          2HE       LYS  62  -0.600 -19.780   0.198
  418   1HZ   LYS  62          1HZ       LYS  62  -1.568 -19.246   2.960
  419   2HZ   LYS  62          2HZ       LYS  62   0.020 -19.100   2.359
  420   3HZ   LYS  62          3HZ       LYS  62  -0.684 -20.631   2.539
  421    H    ASP  63           H        ASP  63   0.584 -14.545   0.728
  422    HA   ASP  63           HA       ASP  63   2.537 -15.685  -1.140
  423   1HB   ASP  63          1HB       ASP  63   2.138 -12.969  -0.783
  424   2HB   ASP  63          2HB       ASP  63   3.466 -13.326   0.343
  425    H    ASP  64           H        ASP  64   4.079 -16.896  -0.147
  426    HA   ASP  64           HA       ASP  64   3.829 -17.047   2.780
  427   1HB   ASP  64          1HB       ASP  64   3.739 -19.105   0.669
  428   2HB   ASP  64          2HB       ASP  64   4.760 -19.517   2.064
  429    H    VAL  65           H        VAL  65   5.602 -15.285   1.953
  430    HA   VAL  65           HA       VAL  65   8.227 -16.317   1.621
  431    HB   VAL  65           HB       VAL  65   7.917 -14.100   0.909
  432   1HG1  VAL  65          1HG1      VAL  65   7.246 -12.898   3.517
  433   2HG1  VAL  65          2HG1      VAL  65   6.673 -12.493   1.898
  434   3HG1  VAL  65          3HG1      VAL  65   5.982 -13.868   2.761
  435   1HG2  VAL  65          1HG2      VAL  65  10.016 -13.802   1.626
  436   2HG2  VAL  65          2HG2      VAL  65   9.290 -12.845   2.917
  437   3HG2  VAL  65          3HG2      VAL  65   9.681 -14.543   3.191
  438    H    THR  66           H        THR  66   9.618 -17.066   3.082
  439    HA   THR  66           HA       THR  66   8.651 -17.425   5.787
  440    HB   THR  66           HB       THR  66  10.781 -18.794   6.009
  441    HG1  THR  66           1HG      THR  66  11.707 -19.347   3.913
  442   1HG2  THR  66          1HG2      THR  66   9.883 -20.577   4.409
  443   2HG2  THR  66          2HG2      THR  66   8.650 -19.392   3.973
  444   3HG2  THR  66          3HG2      THR  66   8.773 -19.971   5.637
  445    H    ASN  67           H        ASN  67   9.719 -16.740   7.662
  446    HA   ASN  67           HA       ASN  67  11.263 -14.312   7.242
  447   1HB   ASN  67          1HB       ASN  67   9.518 -13.937   8.762
  448   2HB   ASN  67          2HB       ASN  67   9.825 -15.462   9.620
  449   1HD2  ASN  67          1HD2      ASN  67  10.454 -15.006  11.587
  450   2HD2  ASN  67          2HD2      ASN  67  11.625 -13.818  12.050
  451    H    THR  68           H        THR  68  13.250 -14.962   6.713
  452    HA   THR  68           HA       THR  68  14.802 -16.350   8.788
  453    HB   THR  68           HB       THR  68  16.137 -15.531   6.278
  454    HG1  THR  68           1HG      THR  68  14.080 -17.520   6.345
  455   1HG2  THR  68          1HG2      THR  68  17.438 -16.875   7.662
  456   2HG2  THR  68          2HG2      THR  68  16.813 -18.016   6.472
  457   3HG2  THR  68          3HG2      THR  68  16.085 -17.925   8.076
  458    H    GLY  69           H        GLY  69  14.172 -13.430   7.185
  459   1HA   GLY  69          1HA       GLY  69  15.400 -11.826   9.197
  460   2HA   GLY  69          2HA       GLY  69  16.305 -11.771   7.684
  461    H    ASN  70           H        ASN  70  12.907 -11.751   8.703
  462    HA   ASN  70           HA       ASN  70  12.359  -9.820   6.552
  463   1HB   ASN  70          1HB       ASN  70  11.108 -12.261   7.352
  464   2HB   ASN  70          2HB       ASN  70   9.961 -10.932   7.627
  465   1HD2  ASN  70          1HD2      ASN  70   8.695 -11.934   5.986
  466   2HD2  ASN  70          2HD2      ASN  70   9.047 -11.638   4.313
  467    H    SER  71           H        SER  71  12.715  -7.888   7.629
  468    HA   SER  71           HA       SER  71  11.362  -7.279  10.092
  469   1HB   SER  71          1HB       SER  71  12.200  -5.015   8.406
  470   2HB   SER  71          2HB       SER  71  12.643  -5.409  10.085
  471    HG   SER  71           HG       SER  71  14.488  -6.002   9.259
  472    H    PHE  72           H        PHE  72  10.875  -6.779   6.675
  473    HA   PHE  72           HA       PHE  72   8.058  -6.197   7.230
  474   1HB   PHE  72          1HB       PHE  72   8.096  -4.287   6.051
  475   2HB   PHE  72          2HB       PHE  72   9.863  -4.407   6.053
  476    HD1  PHE  72           1HD      PHE  72   6.867  -4.518   4.068
  477    HD2  PHE  72           2HD      PHE  72  11.009  -5.490   4.088
  478    HE1  PHE  72           1HE      PHE  72   6.838  -4.637   1.613
  479    HE2  PHE  72           2HE      PHE  72  10.993  -5.616   1.627
  480    HZ   PHE  72           HZ       PHE  72   8.907  -5.189   0.390
  481    H    LEU  73           H        LEU  73   6.595  -7.164   5.726
  482    HA   LEU  73           HA       LEU  73   7.648  -9.678   4.789
  483   1HB   LEU  73          1HB       LEU  73   4.926  -8.484   5.113
  484   2HB   LEU  73          2HB       LEU  73   5.132  -9.901   4.056
  485    HG   LEU  73           HG       LEU  73   6.456 -10.624   6.375
  486   1HD1  LEU  73          1HD1      LEU  73   3.846  -9.678   7.395
  487   2HD1  LEU  73          2HD1      LEU  73   5.380  -9.911   8.235
  488   3HD1  LEU  73          3HD1      LEU  73   5.131  -8.480   7.234
  489   1HD2  LEU  73          1HD2      LEU  73   4.322 -11.483   4.776
  490   2HD2  LEU  73          2HD2      LEU  73   5.179 -12.398   6.018
  491   3HD2  LEU  73          3HD2      LEU  73   3.725 -11.491   6.437
  492    H    ILE  74           H        ILE  74   8.930  -9.184   3.025
  493    HA   ILE  74           HA       ILE  74   7.990  -7.674   0.812
  494    HB   ILE  74           HB       ILE  74  10.354  -7.866   1.089
  495   1HG1  ILE  74          1HG1      ILE  74  10.565  -9.540  -1.193
  496   2HG1  ILE  74          2HG1      ILE  74   9.016  -8.671  -1.312
  497   1HG2  ILE  74          1HG2      ILE  74  10.515 -10.752   0.461
  498   2HG2  ILE  74          2HG2      ILE  74  11.543  -9.752   1.490
  499   3HG2  ILE  74          3HG2      ILE  74   9.979 -10.312   2.082
  500   1HD1  ILE  74          1HD1      ILE  74  10.940  -6.774  -0.512
  501   2HD1  ILE  74          2HD1      ILE  74  11.673  -7.715  -1.809
  502   3HD1  ILE  74          3HD1      ILE  74  10.128  -6.907  -2.072
  503    H    ILE  75           H        ILE  75   6.750  -8.263  -0.846
  504    HA   ILE  75           HA       ILE  75   5.609 -10.945  -0.730
  505    HB   ILE  75           HB       ILE  75   4.509  -9.093  -2.724
  506   1HG1  ILE  75          1HG1      ILE  75   4.201  -8.430   0.211
  507   2HG1  ILE  75          2HG1      ILE  75   5.204  -7.508  -0.934
  508   1HG2  ILE  75          1HG2      ILE  75   3.651 -11.243  -1.053
  509   2HG2  ILE  75          2HG2      ILE  75   2.594  -9.850  -0.817
  510   3HG2  ILE  75          3HG2      ILE  75   2.838 -10.509  -2.435
  511   1HD1  ILE  75          1HD1      ILE  75   2.207  -7.837  -0.968
  512   2HD1  ILE  75          2HD1      ILE  75   3.129  -6.362  -0.686
  513   3HD1  ILE  75          3HD1      ILE  75   3.130  -7.111  -2.284
  514    H    ASN  76           H        ASN  76   5.841 -12.441  -2.267
  515    HA   ASN  76           HA       ASN  76   7.688 -12.008  -4.439
  516   1HB   ASN  76          1HB       ASN  76   7.457 -14.163  -3.135
  517   2HB   ASN  76          2HB       ASN  76   5.890 -14.397  -3.938
  518   1HD2  ASN  76          1HD2      ASN  76   5.950 -15.633  -5.662
  519   2HD2  ASN  76          2HD2      ASN  76   7.308 -15.886  -6.705
  520    H    ALA  77           H        ALA  77   4.470 -11.414  -3.915
  521    HA   ALA  77           HA       ALA  77   2.689 -10.839  -5.186
  522   1HB   ALA  77          1HB       ALA  77   4.934 -10.439  -7.110
  523   2HB   ALA  77          2HB       ALA  77   3.273 -10.357  -7.696
  524   3HB   ALA  77          3HB       ALA  77   3.815  -9.261  -6.424
  525    H    ALA  78           H        ALA  78   3.267 -13.524  -4.685
  526    HA   ALA  78           HA       ALA  78   3.052 -15.105  -7.051
  527   1HB   ALA  78          1HB       ALA  78   2.176 -16.207  -4.438
  528   2HB   ALA  78          2HB       ALA  78   3.208 -16.917  -5.680
  529   3HB   ALA  78          3HB       ALA  78   3.856 -15.693  -4.588
  530    H    ASN  79           H        ASN  79   0.732 -14.741  -4.355
  531    HA   ASN  79           HA       ASN  79  -1.432 -14.959  -6.362
  532   1HB   ASN  79          1HB       ASN  79  -1.572 -15.897  -3.489
  533   2HB   ASN  79          2HB       ASN  79  -2.730 -16.224  -4.796
  534   1HD2  ASN  79          1HD2      ASN  79   0.431 -16.977  -3.496
  535   2HD2  ASN  79          2HD2      ASN  79   0.665 -18.441  -4.394
  536    H    CYS  80           H        CYS  80  -1.586 -12.624  -6.474
  537    HA   CYS  80           HA       CYS  80  -2.592 -11.428  -3.971
  538   1HB   CYS  80          1HB       CYS  80  -0.955 -10.271  -6.218
  539   2HB   CYS  80          2HB       CYS  80  -1.912  -9.225  -5.156
  540    H    VAL  81           H        VAL  81  -4.564 -10.639  -3.926
  541    HA   VAL  81           HA       VAL  81  -5.947  -9.997  -6.433
  542    HB   VAL  81           HB       VAL  81  -8.050 -10.992  -5.429
  543   1HG1  VAL  81          1HG1      VAL  81  -7.588 -13.234  -6.211
  544   2HG1  VAL  81          2HG1      VAL  81  -6.812 -12.053  -7.267
  545   3HG1  VAL  81          3HG1      VAL  81  -5.851 -12.947  -6.086
  546   1HG2  VAL  81          1HG2      VAL  81  -8.057 -12.071  -3.476
  547   2HG2  VAL  81          2HG2      VAL  81  -6.575 -12.948  -3.861
  548   3HG2  VAL  81          3HG2      VAL  81  -6.485 -11.321  -3.191
  549    H    ALA  82           H        ALA  82  -7.895  -8.656  -6.048
  550    HA   ALA  82           HA       ALA  82  -7.414  -6.844  -3.775
  551   1HB   ALA  82          1HB       ALA  82  -8.053  -5.067  -5.072
  552   2HB   ALA  82          2HB       ALA  82  -7.383  -6.119  -6.318
  553   3HB   ALA  82          3HB       ALA  82  -9.129  -6.041  -6.076
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1  -9.806   6.406   9.191
    2   2H    ALA   1          2H        ALA   1 -11.147   6.613   8.175
    3   3H    ALA   1          3H        ALA   1  -9.865   7.722   8.119
    4    HA   ALA   1           HA       ALA   1  -9.744   6.269   6.236
    5   1HB   ALA   1          1HB       ALA   1  -7.489   5.832   6.357
    6   2HB   ALA   1          2HB       ALA   1  -7.675   7.000   7.666
    7   3HB   ALA   1          3HB       ALA   1  -7.572   5.277   8.028
    8    H    THR   2           H        THR   2  -8.614   3.894   5.885
    9    HA   THR   2           HA       THR   2 -10.680   2.081   6.787
   10    HB   THR   2           HB       THR   2  -8.378   1.250   5.062
   11    HG1  THR   2           1HG      THR   2 -10.001   1.998   3.317
   12   1HG2  THR   2          1HG2      THR   2 -10.613  -0.051   5.960
   13   2HG2  THR   2          2HG2      THR   2  -9.686  -0.500   4.528
   14   3HG2  THR   2          3HG2      THR   2 -11.124   0.507   4.367
   15    H    THR   3           H        THR   3 -10.479   0.725   8.424
   16    HA   THR   3           HA       THR   3  -7.884   0.303   9.680
   17    HB   THR   3           HB       THR   3 -10.252  -1.132  10.721
   18    HG1  THR   3           1HG      THR   3 -11.132   0.920  10.029
   19   1HG2  THR   3          1HG2      THR   3  -9.252  -0.799  12.750
   20   2HG2  THR   3          2HG2      THR   3  -8.603   0.776  12.291
   21   3HG2  THR   3          3HG2      THR   3  -7.833  -0.699  11.707
   22    H    ILE   4           H        ILE   4  -6.779  -1.606   9.661
   23    HA   ILE   4           HA       ILE   4  -7.666  -3.528   7.660
   24    HB   ILE   4           HB       ILE   4  -5.012  -3.320   9.088
   25   1HG1  ILE   4          1HG1      ILE   4  -5.932  -2.472   6.332
   26   2HG1  ILE   4          2HG1      ILE   4  -5.355  -1.419   7.645
   27   1HG2  ILE   4          1HG2      ILE   4  -6.034  -5.554   7.924
   28   2HG2  ILE   4          2HG2      ILE   4  -5.190  -4.807   6.568
   29   3HG2  ILE   4          3HG2      ILE   4  -4.313  -5.185   8.051
   30   1HD1  ILE   4          1HD1      ILE   4  -3.642  -1.695   5.939
   31   2HD1  ILE   4          2HD1      ILE   4  -3.127  -2.435   7.456
   32   3HD1  ILE   4          3HD1      ILE   4  -3.704  -3.447   6.132
   33    H    GLY   5           H        GLY   5  -8.433  -5.440   8.075
   34   1HA   GLY   5          1HA       GLY   5  -7.516  -7.180  10.083
   35   2HA   GLY   5          2HA       GLY   5  -9.030  -6.448  10.608
   36    HA   PRO   6           HA       PRO   6 -10.051 -10.136   7.883
   37   1HB   PRO   6          1HB       PRO   6 -11.886 -11.224   9.635
   38   2HB   PRO   6          2HB       PRO   6 -10.135 -11.616   9.631
   39   1HG   PRO   6          1HG       PRO   6 -11.607  -9.678  11.355
   40   2HG   PRO   6          2HG       PRO   6 -10.397 -10.912  11.837
   41   1HD   PRO   6          1HD       PRO   6  -9.759  -8.296  11.555
   42   2HD   PRO   6          2HD       PRO   6  -8.627  -9.585  11.044
   43    H    ASN   7           H        ASN   7 -11.590  -7.542   9.458
   44    HA   ASN   7           HA       ASN   7 -14.182  -7.870   8.267
   45   1HB   ASN   7          1HB       ASN   7 -14.393  -5.390   9.048
   46   2HB   ASN   7          2HB       ASN   7 -14.313  -6.680  10.267
   47   1HD2  ASN   7          1HD2      ASN   7 -12.623  -6.751  11.661
   48   2HD2  ASN   7          2HD2      ASN   7 -11.358  -5.561  11.717
   49    H    THR   8           H        THR   8 -11.263  -6.051   7.602
   50    HA   THR   8           HA       THR   8 -12.236  -4.538   5.426
   51    HB   THR   8           HB       THR   8  -9.417  -5.398   5.381
   52    HG1  THR   8           1HG      THR   8 -10.028  -3.600   7.439
   53   1HG2  THR   8          1HG2      THR   8  -8.988  -3.096   4.994
   54   2HG2  THR   8          2HG2      THR   8 -10.579  -2.628   5.597
   55   3HG2  THR   8          3HG2      THR   8 -10.437  -3.494   4.068
   56    H    CYS   9           H        CYS   9 -10.332  -7.525   5.580
   57    HA   CYS   9           HA       CYS   9 -11.399  -8.340   2.980
   58   1HB   CYS   9          1HB       CYS   9  -9.185  -7.157   2.692
   59   2HB   CYS   9          2HB       CYS   9  -8.451  -8.443   3.663
   60    H    SER  10           H        SER  10 -12.117 -10.366   3.118
   61    HA   SER  10           HA       SER  10 -10.871 -12.166   5.092
   62   1HB   SER  10          1HB       SER  10 -13.643 -12.840   4.714
   63   2HB   SER  10          2HB       SER  10 -12.797 -12.386   6.213
   64    HG   SER  10           HG       SER  10 -13.331 -10.288   5.902
   65    H    ILE  11           H        ILE  11  -9.688 -13.280   3.557
   66    HA   ILE  11           HA       ILE  11 -11.303 -15.044   1.843
   67    HB   ILE  11           HB       ILE  11  -8.611 -14.309   0.819
   68   1HG1  ILE  11          1HG1      ILE  11 -11.032 -12.493   0.621
   69   2HG1  ILE  11          2HG1      ILE  11  -9.440 -12.093   1.309
   70   1HG2  ILE  11          1HG2      ILE  11 -10.825 -15.768  -0.053
   71   2HG2  ILE  11          2HG2      ILE  11 -10.795 -14.321  -1.058
   72   3HG2  ILE  11          3HG2      ILE  11  -9.379 -15.370  -0.982
   73   1HD1  ILE  11          1HD1      ILE  11 -10.303 -12.265  -1.531
   74   2HD1  ILE  11          2HD1      ILE  11  -9.250 -11.096  -0.735
   75   3HD1  ILE  11          3HD1      ILE  11  -8.638 -12.699  -1.142
   76    H    ASP  12           H        ASP  12 -10.346 -17.065   1.413
   77    HA   ASP  12           HA       ASP  12  -9.814 -18.746   3.257
   78   1HB   ASP  12          1HB       ASP  12  -9.211 -18.739   0.562
   79   2HB   ASP  12          2HB       ASP  12  -7.668 -19.175   1.330
   80    H    ASP  13           H        ASP  13  -6.668 -18.143   1.857
   81    HA   ASP  13           HA       ASP  13  -5.636 -17.589   4.561
   82   1HB   ASP  13          1HB       ASP  13  -5.038 -19.858   3.483
   83   2HB   ASP  13          2HB       ASP  13  -4.015 -18.911   2.382
   84    H    TYR  14           H        TYR  14  -6.488 -15.502   3.186
   85    HA   TYR  14           HA       TYR  14  -4.146 -14.389   1.803
   86   1HB   TYR  14          1HB       TYR  14  -7.102 -13.908   1.518
   87   2HB   TYR  14          2HB       TYR  14  -5.935 -12.689   0.978
   88    HD1  TYR  14           1HD      TYR  14  -7.542 -15.827   0.190
   89    HD2  TYR  14           2HD      TYR  14  -4.221 -13.349  -0.751
   90    HE1  TYR  14           1HE      TYR  14  -7.233 -17.055  -1.917
   91    HE2  TYR  14           2HE      TYR  14  -3.890 -14.566  -2.853
   92    HH   TYR  14           HH       TYR  14  -6.106 -16.383  -4.295
   93    H    LYS  15           H        LYS  15  -3.020 -12.962   2.873
   94    HA   LYS  15           HA       LYS  15  -4.194 -11.647   5.200
   95   1HB   LYS  15          1HB       LYS  15  -1.342 -11.291   4.316
   96   2HB   LYS  15          2HB       LYS  15  -2.025 -11.235   5.958
   97   1HG   LYS  15          1HG       LYS  15  -1.302 -13.316   6.247
   98   2HG   LYS  15          2HG       LYS  15  -2.508 -13.842   5.048
   99   1HD   LYS  15          1HD       LYS  15  -0.879 -14.431   3.648
  100   2HD   LYS  15          2HD       LYS  15  -0.261 -12.762   3.649
  101   1HE   LYS  15          1HE       LYS  15   1.593 -13.822   4.450
  102   2HE   LYS  15          2HE       LYS  15   0.750 -13.547   5.990
  103   1HZ   LYS  15          1HZ       LYS  15   0.313 -15.729   6.243
  104   2HZ   LYS  15          2HZ       LYS  15   1.662 -15.922   5.229
  105   3HZ   LYS  15          3HZ       LYS  15   0.097 -16.021   4.583
  106    HA   PRO  16           HA       PRO  16  -4.700  -7.864   2.878
  107   1HB   PRO  16          1HB       PRO  16  -4.901  -6.531   5.512
  108   2HB   PRO  16          2HB       PRO  16  -6.119  -6.723   4.209
  109   1HG   PRO  16          1HG       PRO  16  -6.279  -8.020   6.556
  110   2HG   PRO  16          2HG       PRO  16  -6.943  -8.685   5.028
  111   1HD   PRO  16          1HD       PRO  16  -4.391  -9.344   6.515
  112   2HD   PRO  16          2HD       PRO  16  -5.507 -10.425   5.627
  113    H    TYR  17           H        TYR  17  -3.102  -6.729   2.054
  114    HA   TYR  17           HA       TYR  17  -0.799  -6.051   3.770
  115   1HB   TYR  17          1HB       TYR  17  -1.014  -6.821   0.872
  116   2HB   TYR  17          2HB       TYR  17   0.324  -5.789   1.406
  117    HD1  TYR  17           1HD      TYR  17  -1.355  -8.994   2.342
  118    HD2  TYR  17           2HD      TYR  17   2.284  -6.819   2.083
  119    HE1  TYR  17           1HE      TYR  17  -0.125 -10.997   3.037
  120    HE2  TYR  17           2HE      TYR  17   3.537  -8.818   2.780
  121    HH   TYR  17           HH       TYR  17   3.350 -11.140   2.936
  122    H    CYS  18           H        CYS  18   0.009  -3.980   3.706
  123    HA   CYS  18           HA       CYS  18  -1.668  -2.022   2.294
  124   1HB   CYS  18          1HB       CYS  18  -0.979  -2.093   4.957
  125   2HB   CYS  18          2HB       CYS  18   0.250  -1.007   4.289
  126    H    CYS  19           H        CYS  19  -0.811  -1.404   0.440
  127    HA   CYS  19           HA       CYS  19   2.109  -1.046   0.319
  128   1HB   CYS  19          1HB       CYS  19   0.540  -2.677  -1.278
  129   2HB   CYS  19          2HB       CYS  19   0.718  -1.213  -2.258
  130    H    GLN  20           H        GLN  20   2.713   1.014   0.229
  131    HA   GLN  20           HA       GLN  20   0.769   3.058  -0.422
  132   1HB   GLN  20          1HB       GLN  20   3.726   3.379   0.159
  133   2HB   GLN  20          2HB       GLN  20   2.484   4.653   0.192
  134   1HG   GLN  20          1HG       GLN  20   1.394   2.998   1.975
  135   2HG   GLN  20          2HG       GLN  20   3.090   2.506   2.169
  136   1HE2  GLN  20          1HE2      GLN  20   0.914   4.261   3.621
  137   2HE2  GLN  20          2HE2      GLN  20   1.848   5.608   4.175
  138    H    SER  21           H        SER  21   0.284   3.244  -2.488
  139    HA   SER  21           HA       SER  21   2.464   3.459  -4.448
  140   1HB   SER  21          1HB       SER  21   0.155   2.152  -5.610
  141   2HB   SER  21          2HB       SER  21   1.845   1.596  -5.542
  142    HG   SER  21           HG       SER  21  -0.238   1.180  -3.655
  143    H    MET  22           H        MET  22   0.737   5.443  -3.141
  144    HA   MET  22           HA       MET  22  -0.753   6.422  -5.485
  145   1HB   MET  22          1HB       MET  22  -1.168   7.026  -2.544
  146   2HB   MET  22          2HB       MET  22  -2.061   7.799  -3.875
  147   1HG   MET  22          1HG       MET  22  -3.577   6.189  -3.560
  148   2HG   MET  22          2HG       MET  22  -2.432   5.134  -4.405
  149   1HE   MET  22          1HE       MET  22  -3.164   6.437  -0.552
  150   2HE   MET  22          2HE       MET  22  -4.493   5.806  -1.526
  151   3HE   MET  22          3HE       MET  22  -3.881   4.874  -0.161
  152    H    SER  23           H        SER  23   0.736   7.808  -2.573
  153    HA   SER  23           HA       SER  23   1.918   9.902  -4.256
  154   1HB   SER  23          1HB       SER  23   1.600   9.969  -1.247
  155   2HB   SER  23          2HB       SER  23   1.927  11.332  -2.344
  156    HG   SER  23           HG       SER  23  -0.156  11.573  -2.423
  157    H    GLY  24           H        GLY  24   4.093  10.157  -4.336
  158   1HA   GLY  24          1HA       GLY  24   5.994   9.523  -2.469
  159   2HA   GLY  24          2HA       GLY  24   5.740   8.030  -3.359
  160    HA   PRO  25           HA       PRO  25   8.916  10.135  -5.809
  161   1HB   PRO  25          1HB       PRO  25  10.145   7.903  -6.740
  162   2HB   PRO  25          2HB       PRO  25  10.341   8.480  -5.053
  163   1HG   PRO  25          1HG       PRO  25   8.545   6.339  -6.092
  164   2HG   PRO  25          2HG       PRO  25   9.634   6.293  -4.667
  165   1HD   PRO  25          1HD       PRO  25   6.927   6.772  -4.530
  166   2HD   PRO  25          2HD       PRO  25   8.101   7.466  -3.372
  167    H    ALA  26           H        ALA  26   6.230   8.324  -6.662
  168    HA   ALA  26           HA       ALA  26   6.741   8.765  -9.529
  169   1HB   ALA  26          1HB       ALA  26   5.412   6.920 -10.074
  170   2HB   ALA  26          2HB       ALA  26   6.366   6.378  -8.695
  171   3HB   ALA  26          3HB       ALA  26   4.683   6.857  -8.470
  172    H    GLY  27           H        GLY  27   4.995   9.532 -10.814
  173   1HA   GLY  27          1HA       GLY  27   2.470  10.243 -10.151
  174   2HA   GLY  27          2HA       GLY  27   3.433  11.521  -9.419
  175    H    SER  28           H        SER  28   3.476  13.273 -10.646
  176    HA   SER  28           HA       SER  28   2.908  13.207 -13.431
  177   1HB   SER  28          1HB       SER  28   4.137  15.561 -11.996
  178   2HB   SER  28          2HB       SER  28   3.017  15.561 -13.380
  179    HG   SER  28           HG       SER  28   1.433  14.641 -11.920
  180    HA   PRO  29           HA       PRO  29   7.538  13.849 -14.182
  181   1HB   PRO  29          1HB       PRO  29   9.334  14.213 -12.206
  182   2HB   PRO  29          2HB       PRO  29   8.229  15.526 -12.729
  183   1HG   PRO  29          1HG       PRO  29   8.030  13.747 -10.357
  184   2HG   PRO  29          2HG       PRO  29   7.719  15.510 -10.475
  185   1HD   PRO  29          1HD       PRO  29   5.786  13.475 -10.523
  186   2HD   PRO  29          2HD       PRO  29   5.553  15.135 -11.151
  187    H    GLY  30           H        GLY  30   9.198  12.335 -14.551
  188   1HA   GLY  30          1HA       GLY  30   8.859   9.786 -13.128
  189   2HA   GLY  30          2HA       GLY  30   9.641   9.997 -14.690
  190    H    LEU  31           H        LEU  31  10.149   9.571 -11.396
  191    HA   LEU  31           HA       LEU  31  12.981  10.246 -11.707
  192   1HB   LEU  31          1HB       LEU  31  11.072  11.653 -10.011
  193   2HB   LEU  31          2HB       LEU  31  12.449  11.000  -9.091
  194    HG   LEU  31           HG       LEU  31  12.979  12.562 -11.586
  195   1HD1  LEU  31          1HD1      LEU  31  12.689  13.976  -8.971
  196   2HD1  LEU  31          2HD1      LEU  31  12.707  14.632 -10.608
  197   3HD1  LEU  31          3HD1      LEU  31  11.292  13.757 -10.027
  198   1HD2  LEU  31          1HD2      LEU  31  14.494  11.403  -9.510
  199   2HD2  LEU  31          2HD2      LEU  31  15.067  12.369 -10.870
  200   3HD2  LEU  31          3HD2      LEU  31  14.644  13.152  -9.349
  201    H    LEU  32           H        LEU  32  13.963   9.681  -9.304
  202    HA   LEU  32           HA       LEU  32  12.962   7.020  -8.586
  203   1HB   LEU  32          1HB       LEU  32  15.805   7.783  -9.281
  204   2HB   LEU  32          2HB       LEU  32  15.381   6.296  -8.399
  205    HG   LEU  32           HG       LEU  32  13.797   6.336 -10.739
  206   1HD1  LEU  32          1HD1      LEU  32  16.026   7.913 -11.206
  207   2HD1  LEU  32          2HD1      LEU  32  16.471   6.332 -11.850
  208   3HD1  LEU  32          3HD1      LEU  32  15.011   7.138 -12.421
  209   1HD2  LEU  32          1HD2      LEU  32  14.979   4.479  -9.337
  210   2HD2  LEU  32          2HD2      LEU  32  14.703   4.244 -11.064
  211   3HD2  LEU  32          3HD2      LEU  32  16.298   4.725 -10.482
  212    H    ASN  33           H        ASN  33  14.256   6.257  -6.558
  213    HA   ASN  33           HA       ASN  33  14.097   8.371  -4.587
  214   1HB   ASN  33          1HB       ASN  33  14.604   5.393  -4.431
  215   2HB   ASN  33          2HB       ASN  33  14.779   6.451  -3.014
  216   1HD2  ASN  33          1HD2      ASN  33  13.000   7.073  -1.927
  217   2HD2  ASN  33          2HD2      ASN  33  11.377   6.647  -2.364
  218    H    LEU  34           H        LEU  34  15.962   8.278  -2.864
  219    HA   LEU  34           HA       LEU  34  18.349   9.067  -4.177
  220   1HB   LEU  34          1HB       LEU  34  18.909   8.535  -1.449
  221   2HB   LEU  34          2HB       LEU  34  18.667  10.110  -2.242
  222    HG   LEU  34           HG       LEU  34  16.170   8.716  -1.579
  223   1HD1  LEU  34          1HD1      LEU  34  16.591   8.167   0.525
  224   2HD1  LEU  34          2HD1      LEU  34  18.247   8.757   0.382
  225   3HD1  LEU  34          3HD1      LEU  34  16.958   9.858   0.866
  226   1HD2  LEU  34          1HD2      LEU  34  16.963  11.400  -0.576
  227   2HD2  LEU  34          2HD2      LEU  34  16.748  11.177  -2.313
  228   3HD2  LEU  34          3HD2      LEU  34  15.414  10.840  -1.209
  229    H    ILE  35           H        ILE  35  17.128   6.097  -3.186
  230    HA   ILE  35           HA       ILE  35  19.715   4.802  -3.680
  231    HB   ILE  35           HB       ILE  35  17.802   3.417  -1.896
  232   1HG1  ILE  35          1HG1      ILE  35  19.378   4.782  -0.074
  233   2HG1  ILE  35          2HG1      ILE  35  18.902   6.035  -1.244
  234   1HG2  ILE  35          1HG2      ILE  35  19.682   2.356  -1.059
  235   2HG2  ILE  35          2HG2      ILE  35  20.126   2.652  -2.740
  236   3HG2  ILE  35          3HG2      ILE  35  20.743   3.704  -1.466
  237   1HD1  ILE  35          1HD1      ILE  35  17.146   4.338   0.512
  238   2HD1  ILE  35          2HD1      ILE  35  17.239   6.095   0.400
  239   3HD1  ILE  35          3HD1      ILE  35  16.512   5.168  -0.911
  240    HA   PRO  36           HA       PRO  36  17.346   2.787  -6.897
  241   1HB   PRO  36          1HB       PRO  36  19.379   0.613  -6.530
  242   2HB   PRO  36          2HB       PRO  36  18.896   1.533  -7.992
  243   1HG   PRO  36          1HG       PRO  36  21.197   1.998  -6.751
  244   2HG   PRO  36          2HG       PRO  36  20.270   3.314  -7.542
  245   1HD   PRO  36          1HD       PRO  36  20.583   2.605  -4.628
  246   2HD   PRO  36          2HD       PRO  36  20.408   4.209  -5.403
  247    H    VAL  37           H        VAL  37  15.525   1.696  -6.597
  248    HA   VAL  37           HA       VAL  37  15.478  -0.622  -4.803
  249    HB   VAL  37           HB       VAL  37  13.054   0.310  -4.243
  250   1HG1  VAL  37          1HG1      VAL  37  15.628   0.378  -2.936
  251   2HG1  VAL  37          2HG1      VAL  37  14.577   1.673  -2.362
  252   3HG1  VAL  37          3HG1      VAL  37  14.040  -0.005  -2.275
  253   1HG2  VAL  37          1HG2      VAL  37  12.665   2.464  -4.638
  254   2HG2  VAL  37          2HG2      VAL  37  14.171   2.930  -3.849
  255   3HG2  VAL  37          3HG2      VAL  37  14.167   2.513  -5.562
  256    H    ASP  38           H        ASP  38  14.443  -2.309  -5.699
  257    HA   ASP  38           HA       ASP  38  12.933  -1.823  -8.163
  258   1HB   ASP  38          1HB       ASP  38  14.510  -3.442  -8.683
  259   2HB   ASP  38          2HB       ASP  38  14.425  -4.186  -7.072
  260    H    LEU  39           H        LEU  39  10.829  -1.702  -7.999
  261    HA   LEU  39           HA       LEU  39   9.456  -3.542  -6.156
  262   1HB   LEU  39          1HB       LEU  39   9.290  -0.666  -6.344
  263   2HB   LEU  39          2HB       LEU  39   7.716  -1.396  -6.739
  264    HG   LEU  39           HG       LEU  39   8.421  -2.761  -4.471
  265   1HD1  LEU  39          1HD1      LEU  39   8.945  -0.086  -3.467
  266   2HD1  LEU  39          2HD1      LEU  39   9.752  -1.611  -3.104
  267   3HD1  LEU  39          3HD1      LEU  39  10.226  -0.680  -4.525
  268   1HD2  LEU  39          1HD2      LEU  39   7.012  -0.441  -3.667
  269   2HD2  LEU  39          2HD2      LEU  39   6.507  -0.829  -5.311
  270   3HD2  LEU  39          3HD2      LEU  39   6.366  -2.041  -4.037
  271    H    SER  40           H        SER  40  10.314  -3.736  -8.972
  272    HA   SER  40           HA       SER  40   7.748  -3.738 -10.378
  273   1HB   SER  40          1HB       SER  40  10.391  -4.353 -11.669
  274   2HB   SER  40          2HB       SER  40   8.933  -3.620 -12.381
  275    HG   SER  40           HG       SER  40   9.388  -1.711 -11.352
  276    H    ALA  41           H        ALA  41  10.416  -5.850  -9.434
  277    HA   ALA  41           HA       ALA  41   9.507  -8.154 -10.804
  278   1HB   ALA  41          1HB       ALA  41  11.154  -8.121  -8.284
  279   2HB   ALA  41          2HB       ALA  41  11.096  -9.379  -9.518
  280   3HB   ALA  41          3HB       ALA  41  11.811  -7.810  -9.892
  281    H    SER  42           H        SER  42   9.294  -7.347  -7.331
  282    HA   SER  42           HA       SER  42   6.849  -8.984  -7.215
  283   1HB   SER  42          1HB       SER  42   8.720  -8.630  -4.874
  284   2HB   SER  42          2HB       SER  42   7.460  -9.865  -5.113
  285    HG   SER  42           HG       SER  42   8.776 -10.986  -6.399
  286    H    LEU  43           H        LEU  43   6.222  -8.309  -4.520
  287    HA   LEU  43           HA       LEU  43   5.440  -5.498  -4.939
  288   1HB   LEU  43          1HB       LEU  43   3.963  -7.898  -4.143
  289   2HB   LEU  43          2HB       LEU  43   3.690  -6.509  -3.064
  290    HG   LEU  43           HG       LEU  43   1.970  -6.551  -4.749
  291   1HD1  LEU  43          1HD1      LEU  43   2.381  -4.348  -5.868
  292   2HD1  LEU  43          2HD1      LEU  43   2.621  -4.348  -4.120
  293   3HD1  LEU  43          3HD1      LEU  43   4.013  -4.386  -5.202
  294   1HD2  LEU  43          1HD2      LEU  43   3.258  -5.975  -7.158
  295   2HD2  LEU  43          2HD2      LEU  43   4.150  -7.330  -6.465
  296   3HD2  LEU  43          3HD2      LEU  43   2.409  -7.460  -6.730
  297    H    GLY  44           H        GLY  44   6.519  -4.160  -3.675
  298   1HA   GLY  44          1HA       GLY  44   7.715  -5.060  -1.197
  299   2HA   GLY  44          2HA       GLY  44   7.876  -3.465  -1.917
  300    H    CYS  45           H        CYS  45   5.398  -5.533  -0.430
  301    HA   CYS  45           HA       CYS  45   4.372  -3.143   0.949
  302   1HB   CYS  45          1HB       CYS  45   2.602  -5.499   0.467
  303   2HB   CYS  45          2HB       CYS  45   2.182  -3.785   0.621
  304    H    VAL  46           H        VAL  46   3.302  -3.618   3.025
  305    HA   VAL  46           HA       VAL  46   4.502  -5.975   4.326
  306    HB   VAL  46           HB       VAL  46   5.413  -3.694   5.017
  307   1HG1  VAL  46          1HG1      VAL  46   2.629  -3.218   5.484
  308   2HG1  VAL  46          2HG1      VAL  46   3.525  -3.050   6.993
  309   3HG1  VAL  46          3HG1      VAL  46   3.986  -2.095   5.583
  310   1HG2  VAL  46          1HG2      VAL  46   5.620  -5.806   6.330
  311   2HG2  VAL  46          2HG2      VAL  46   5.657  -4.335   7.302
  312   3HG2  VAL  46          3HG2      VAL  46   4.193  -5.314   7.241
  313    H    VAL  47           H        VAL  47   3.258  -6.935   6.015
  314    HA   VAL  47           HA       VAL  47   0.539  -7.251   5.327
  315    HB   VAL  47           HB       VAL  47   1.351  -8.071   8.052
  316   1HG1  VAL  47          1HG1      VAL  47  -0.762  -8.685   6.669
  317   2HG1  VAL  47          2HG1      VAL  47   0.309  -9.850   5.889
  318   3HG1  VAL  47          3HG1      VAL  47   0.041  -9.926   7.630
  319   1HG2  VAL  47          1HG2      VAL  47   2.925  -8.754   5.651
  320   2HG2  VAL  47          2HG2      VAL  47   3.397  -8.726   7.348
  321   3HG2  VAL  47          3HG2      VAL  47   2.495 -10.098   6.707
  322    H    GLY  48           H        GLY  48  -1.290  -6.430   6.152
  323   1HA   GLY  48          1HA       GLY  48  -1.126  -4.015   7.690
  324   2HA   GLY  48          2HA       GLY  48  -2.590  -4.806   7.114
  325    H    VAL  49           H        VAL  49  -0.995  -3.919   9.811
  326    HA   VAL  49           HA       VAL  49  -1.326  -6.178  11.486
  327    HB   VAL  49           HB       VAL  49  -1.368  -4.149  13.263
  328   1HG1  VAL  49          1HG1      VAL  49   1.030  -5.226  11.788
  329   2HG1  VAL  49          2HG1      VAL  49   1.092  -4.366  13.327
  330   3HG1  VAL  49          3HG1      VAL  49   0.268  -5.921  13.218
  331   1HG2  VAL  49          1HG2      VAL  49  -1.416  -2.318  11.779
  332   2HG2  VAL  49          2HG2      VAL  49   0.261  -2.434  12.312
  333   3HG2  VAL  49          3HG2      VAL  49  -0.202  -3.039  10.721
  334    H    ILE  50           H        ILE  50  -3.216  -7.055  11.850
  335    HA   ILE  50           HA       ILE  50  -5.713  -5.932  11.453
  336    HB   ILE  50           HB       ILE  50  -4.888  -8.241  13.217
  337   1HG1  ILE  50          1HG1      ILE  50  -6.456  -9.035  11.002
  338   2HG1  ILE  50          2HG1      ILE  50  -5.264  -7.864  10.389
  339   1HG2  ILE  50          1HG2      ILE  50  -7.612  -7.160  12.594
  340   2HG2  ILE  50          2HG2      ILE  50  -7.370  -8.875  12.928
  341   3HG2  ILE  50          3HG2      ILE  50  -6.945  -7.671  14.145
  342   1HD1  ILE  50          1HD1      ILE  50  -4.669 -10.391  10.436
  343   2HD1  ILE  50          2HD1      ILE  50  -3.468  -9.211  10.963
  344   3HD1  ILE  50          3HD1      ILE  50  -4.393 -10.124  12.157
  345    H    GLY  51           H        GLY  51  -6.725  -4.366  12.467
  346   1HA   GLY  51          1HA       GLY  51  -7.806  -3.627  14.514
  347   2HA   GLY  51          2HA       GLY  51  -6.357  -4.105  15.388
  348    H    SER  52           H        SER  52  -5.313  -2.719  12.595
  349    HA   SER  52           HA       SER  52  -5.187  -0.049  13.832
  350   1HB   SER  52          1HB       SER  52  -2.924  -0.869  12.101
  351   2HB   SER  52          2HB       SER  52  -2.924   0.060  13.619
  352    HG   SER  52           HG       SER  52  -3.226  -2.767  13.343
  353    H    GLN  53           H        GLN  53  -5.056   1.735  12.405
  354    HA   GLN  53           HA       GLN  53  -6.554   1.366   9.967
  355   1HB   GLN  53          1HB       GLN  53  -5.619   3.661  11.619
  356   2HB   GLN  53          2HB       GLN  53  -5.927   3.971   9.893
  357   1HG   GLN  53          1HG       GLN  53  -8.211   2.916  10.265
  358   2HG   GLN  53          2HG       GLN  53  -7.863   3.022  12.004
  359   1HE2  GLN  53          1HE2      GLN  53  -6.723   5.371  12.363
  360   2HE2  GLN  53          2HE2      GLN  53  -7.736   6.672  11.841
  361    H    CYS  54           H        CYS  54  -5.868   2.340   7.914
  362    HA   CYS  54           HA       CYS  54  -2.982   2.625   7.565
  363   1HB   CYS  54          1HB       CYS  54  -4.228   0.239   6.941
  364   2HB   CYS  54          2HB       CYS  54  -4.225   1.097   5.391
  365    H    GLY  55           H        GLY  55  -2.416   3.662   5.536
  366   1HA   GLY  55          1HA       GLY  55  -4.665   5.122   4.295
  367   2HA   GLY  55          2HA       GLY  55  -3.218   5.969   4.829
  368    H    ALA  56           H        ALA  56  -3.561   2.851   3.202
  369    HA   ALA  56           HA       ALA  56  -2.276   3.945   0.819
  370   1HB   ALA  56          1HB       ALA  56  -1.205   1.405   1.994
  371   2HB   ALA  56          2HB       ALA  56  -0.458   2.495   0.825
  372   3HB   ALA  56          3HB       ALA  56  -0.584   2.971   2.520
  373    H    SER  57           H        SER  57  -1.885   1.679  -0.622
  374    HA   SER  57           HA       SER  57  -4.603   0.902  -1.209
  375   1HB   SER  57          1HB       SER  57  -2.350  -0.378  -2.663
  376   2HB   SER  57          2HB       SER  57  -3.830   0.384  -3.295
  377    HG   SER  57           HG       SER  57  -2.773   2.433  -2.588
  378    H    VAL  58           H        VAL  58  -5.441  -0.588   0.122
  379    HA   VAL  58           HA       VAL  58  -3.816  -2.776   1.105
  380    HB   VAL  58           HB       VAL  58  -5.741  -3.398   2.453
  381   1HG1  VAL  58          1HG1      VAL  58  -5.968  -1.279   3.775
  382   2HG1  VAL  58          2HG1      VAL  58  -4.313  -1.788   3.444
  383   3HG1  VAL  58          3HG1      VAL  58  -5.036  -0.478   2.511
  384   1HG2  VAL  58          1HG2      VAL  58  -7.186  -1.800   0.538
  385   2HG2  VAL  58          2HG2      VAL  58  -7.791  -2.975   1.705
  386   3HG2  VAL  58          3HG2      VAL  58  -7.546  -1.295   2.188
  387    H    LYS  59           H        LYS  59  -4.118  -4.906   0.650
  388    HA   LYS  59           HA       LYS  59  -6.259  -5.822  -1.042
  389   1HB   LYS  59          1HB       LYS  59  -5.083  -6.399  -2.949
  390   2HB   LYS  59          2HB       LYS  59  -4.359  -4.828  -2.529
  391   1HG   LYS  59          1HG       LYS  59  -2.455  -5.944  -1.514
  392   2HG   LYS  59          2HG       LYS  59  -3.190  -7.534  -1.830
  393   1HD   LYS  59          1HD       LYS  59  -1.814  -7.388  -3.655
  394   2HD   LYS  59          2HD       LYS  59  -3.261  -6.593  -4.318
  395   1HE   LYS  59          1HE       LYS  59  -2.180  -4.425  -3.335
  396   2HE   LYS  59          2HE       LYS  59  -0.683  -5.383  -3.362
  397   1HZ   LYS  59          1HZ       LYS  59  -2.413  -4.629  -5.650
  398   2HZ   LYS  59          2HZ       LYS  59  -1.227  -5.836  -5.769
  399   3HZ   LYS  59          3HZ       LYS  59  -0.780  -4.242  -5.399
  400    H    CYS  60           H        CYS  60  -5.796  -8.269  -1.553
  401    HA   CYS  60           HA       CYS  60  -4.784  -9.395   0.979
  402   1HB   CYS  60          1HB       CYS  60  -7.223  -9.875  -0.597
  403   2HB   CYS  60          2HB       CYS  60  -6.382 -11.355  -0.108
  404    H    CYS  61           H        CYS  61  -3.051 -10.645   0.843
  405    HA   CYS  61           HA       CYS  61  -2.449 -11.859  -1.769
  406   1HB   CYS  61          1HB       CYS  61  -0.658 -10.256   0.040
  407   2HB   CYS  61          2HB       CYS  61   0.008 -11.430  -1.107
  408    H    LYS  62           H        LYS  62  -1.871 -13.891  -1.761
  409    HA   LYS  62           HA       LYS  62  -0.926 -15.117   0.742
  410   1HB   LYS  62          1HB       LYS  62  -3.085 -16.020  -0.347
  411   2HB   LYS  62          2HB       LYS  62  -2.018 -16.636  -1.631
  412   1HG   LYS  62          1HG       LYS  62  -1.014 -17.370   0.985
  413   2HG   LYS  62          2HG       LYS  62  -2.700 -17.900   0.778
  414   1HD   LYS  62          1HD       LYS  62  -1.943 -19.639  -0.397
  415   2HD   LYS  62          2HD       LYS  62  -1.416 -18.495  -1.654
  416   1HE   LYS  62          1HE       LYS  62   0.725 -18.940  -1.216
  417   2HE   LYS  62          2HE       LYS  62   0.500 -18.494   0.489
  418   1HZ   LYS  62          1HZ       LYS  62   0.046 -20.676   1.080
  419   2HZ   LYS  62          2HZ       LYS  62   1.279 -20.854  -0.067
  420   3HZ   LYS  62          3HZ       LYS  62  -0.333 -21.158  -0.503
  421    H    ASP  63           H        ASP  63   1.031 -16.081   0.685
  422    HA   ASP  63           HA       ASP  63   2.391 -16.580  -1.800
  423   1HB   ASP  63          1HB       ASP  63   2.568 -14.014  -0.963
  424   2HB   ASP  63          2HB       ASP  63   3.928 -14.725  -0.067
  425    H    ASP  64           H        ASP  64   4.835 -17.055  -1.200
  426    HA   ASP  64           HA       ASP  64   4.658 -18.985   1.015
  427   1HB   ASP  64          1HB       ASP  64   5.318 -19.468  -1.552
  428   2HB   ASP  64          2HB       ASP  64   6.928 -19.077  -0.909
  429    H    VAL  65           H        VAL  65   5.187 -16.134   1.278
  430    HA   VAL  65           HA       VAL  65   7.957 -15.729   1.773
  431    HB   VAL  65           HB       VAL  65   5.732 -14.088   2.963
  432   1HG1  VAL  65          1HG1      VAL  65   7.284 -12.493   3.350
  433   2HG1  VAL  65          2HG1      VAL  65   8.375 -13.880   3.350
  434   3HG1  VAL  65          3HG1      VAL  65   8.209 -12.886   1.901
  435   1HG2  VAL  65          1HG2      VAL  65   5.135 -13.231   0.991
  436   2HG2  VAL  65          2HG2      VAL  65   6.806 -13.102   0.447
  437   3HG2  VAL  65          3HG2      VAL  65   5.935 -14.626   0.270
  438    H    THR  66           H        THR  66   9.105 -16.233   3.475
  439    HA   THR  66           HA       THR  66   7.726 -16.805   6.013
  440    HB   THR  66           HB       THR  66   8.809 -18.797   4.933
  441    HG1  THR  66           1HG      THR  66   9.321 -19.551   6.863
  442   1HG2  THR  66          1HG2      THR  66  10.998 -18.910   4.392
  443   2HG2  THR  66          2HG2      THR  66  11.495 -17.881   5.733
  444   3HG2  THR  66          3HG2      THR  66  10.835 -17.158   4.266
  445    H    ASN  67           H        ASN  67   9.795 -16.717   7.777
  446    HA   ASN  67           HA       ASN  67  10.249 -13.872   7.865
  447   1HB   ASN  67          1HB       ASN  67  10.296 -16.088   9.758
  448   2HB   ASN  67          2HB       ASN  67  11.668 -14.982   9.992
  449   1HD2  ASN  67          1HD2      ASN  67  10.984 -12.591   9.899
  450   2HD2  ASN  67          2HD2      ASN  67   9.560 -12.181  10.801
  451    H    THR  68           H        THR  68  11.971 -16.532   6.710
  452    HA   THR  68           HA       THR  68  14.606 -15.421   7.069
  453    HB   THR  68           HB       THR  68  14.310 -17.454   4.982
  454    HG1  THR  68           1HG      THR  68  13.517 -18.060   7.664
  455   1HG2  THR  68          1HG2      THR  68  16.244 -18.287   5.892
  456   2HG2  THR  68          2HG2      THR  68  15.773 -17.872   7.540
  457   3HG2  THR  68          3HG2      THR  68  16.350 -16.616   6.445
  458    H    GLY  69           H        GLY  69  13.822 -13.325   6.105
  459   1HA   GLY  69          1HA       GLY  69  14.819 -13.152   3.412
  460   2HA   GLY  69          2HA       GLY  69  13.092 -12.841   3.522
  461    H    ASN  70           H        ASN  70  12.402 -11.129   5.011
  462    HA   ASN  70           HA       ASN  70  14.467  -9.165   5.646
  463   1HB   ASN  70          1HB       ASN  70  13.273  -8.760   3.349
  464   2HB   ASN  70          2HB       ASN  70  11.923  -8.208   4.364
  465   1HD2  ASN  70          1HD2      ASN  70  15.177  -7.557   3.307
  466   2HD2  ASN  70          2HD2      ASN  70  15.270  -5.944   3.919
  467    H    SER  71           H        SER  71  13.441  -7.311   6.944
  468    HA   SER  71           HA       SER  71  12.112  -8.451   9.187
  469   1HB   SER  71          1HB       SER  71  12.058  -5.552   9.141
  470   2HB   SER  71          2HB       SER  71  12.968  -6.646  10.210
  471    HG   SER  71           HG       SER  71  13.947  -5.119   8.303
  472    H    PHE  72           H        PHE  72  11.122  -6.709   6.350
  473    HA   PHE  72           HA       PHE  72   8.339  -6.871   7.281
  474   1HB   PHE  72          1HB       PHE  72   7.767  -5.096   5.946
  475   2HB   PHE  72          2HB       PHE  72   9.457  -4.678   6.273
  476    HD1  PHE  72           1HD      PHE  72  11.197  -5.271   4.523
  477    HD2  PHE  72           2HD      PHE  72   7.016  -5.412   3.747
  478    HE1  PHE  72           1HE      PHE  72  11.644  -5.168   2.105
  479    HE2  PHE  72           2HE      PHE  72   7.454  -5.317   1.331
  480    HZ   PHE  72           HZ       PHE  72   9.773  -5.193   0.507
  481    H    LEU  73           H        LEU  73   6.842  -8.048   6.059
  482    HA   LEU  73           HA       LEU  73   8.035 -10.245   4.638
  483   1HB   LEU  73          1HB       LEU  73   5.181  -9.560   5.344
  484   2HB   LEU  73          2HB       LEU  73   5.634 -11.011   4.419
  485    HG   LEU  73           HG       LEU  73   6.476 -10.367   7.255
  486   1HD1  LEU  73          1HD1      LEU  73   4.906 -11.877   7.990
  487   2HD1  LEU  73          2HD1      LEU  73   4.056 -11.111   6.649
  488   3HD1  LEU  73          3HD1      LEU  73   4.804 -12.695   6.432
  489   1HD2  LEU  73          1HD2      LEU  73   6.968 -13.047   6.691
  490   2HD2  LEU  73          2HD2      LEU  73   7.563 -12.173   5.280
  491   3HD2  LEU  73          3HD2      LEU  73   8.164 -11.767   6.886
  492    H    ILE  74           H        ILE  74   8.862  -9.420   2.764
  493    HA   ILE  74           HA       ILE  74   7.318  -7.901   0.908
  494    HB   ILE  74           HB       ILE  74   9.622  -7.546   0.705
  495   1HG1  ILE  74          1HG1      ILE  74  10.006  -9.252  -1.510
  496   2HG1  ILE  74          2HG1      ILE  74   8.263  -8.897  -1.452
  497   1HG2  ILE  74          1HG2      ILE  74  11.320  -9.215   0.618
  498   2HG2  ILE  74          2HG2      ILE  74  10.259  -9.597   1.972
  499   3HG2  ILE  74          3HG2      ILE  74  10.128 -10.506   0.466
  500   1HD1  ILE  74          1HD1      ILE  74   8.565  -6.682  -1.905
  501   2HD1  ILE  74          2HD1      ILE  74  10.162  -6.627  -1.157
  502   3HD1  ILE  74          3HD1      ILE  74   9.963  -7.348  -2.755
  503    H    ILE  75           H        ILE  75   5.935  -8.611  -0.569
  504    HA   ILE  75           HA       ILE  75   5.467 -11.486  -0.704
  505    HB   ILE  75           HB       ILE  75   3.483 -10.357  -2.224
  506   1HG1  ILE  75          1HG1      ILE  75   3.825  -8.524   0.151
  507   2HG1  ILE  75          2HG1      ILE  75   4.438  -8.104  -1.466
  508   1HG2  ILE  75          1HG2      ILE  75   2.217 -11.413  -0.732
  509   2HG2  ILE  75          2HG2      ILE  75   3.718 -11.816   0.103
  510   3HG2  ILE  75          3HG2      ILE  75   2.790 -10.398   0.592
  511   1HD1  ILE  75          1HD1      ILE  75   1.650  -8.221  -0.456
  512   2HD1  ILE  75          2HD1      ILE  75   2.410  -7.093  -1.579
  513   3HD1  ILE  75          3HD1      ILE  75   1.929  -8.699  -2.130
  514    H    ASN  76           H        ASN  76   5.661 -12.683  -2.510
  515    HA   ASN  76           HA       ASN  76   7.154 -11.568  -4.716
  516   1HB   ASN  76          1HB       ASN  76   7.490 -13.890  -3.680
  517   2HB   ASN  76          2HB       ASN  76   6.003 -14.361  -4.530
  518   1HD2  ASN  76          1HD2      ASN  76   6.921 -15.796  -5.912
  519   2HD2  ASN  76          2HD2      ASN  76   8.029 -15.361  -7.171
  520    H    ALA  77           H        ALA  77   3.987 -11.698  -3.882
  521    HA   ALA  77           HA       ALA  77   2.039 -11.210  -4.923
  522   1HB   ALA  77          1HB       ALA  77   4.026  -9.979  -6.543
  523   2HB   ALA  77          2HB       ALA  77   2.782 -10.654  -7.595
  524   3HB   ALA  77          3HB       ALA  77   2.337  -9.517  -6.322
  525    H    ALA  78           H        ALA  78   3.267 -13.882  -4.969
  526    HA   ALA  78           HA       ALA  78   2.781 -15.159  -7.442
  527   1HB   ALA  78          1HB       ALA  78   2.370 -17.056  -5.413
  528   2HB   ALA  78          2HB       ALA  78   3.849 -16.756  -6.322
  529   3HB   ALA  78          3HB       ALA  78   3.573 -15.927  -4.790
  530    H    ASN  79           H        ASN  79   0.795 -14.808  -4.523
  531    HA   ASN  79           HA       ASN  79  -1.576 -15.300  -6.199
  532   1HB   ASN  79          1HB       ASN  79  -1.576 -16.082  -3.294
  533   2HB   ASN  79          2HB       ASN  79  -2.609 -16.669  -4.615
  534   1HD2  ASN  79          1HD2      ASN  79   0.647 -16.826  -3.254
  535   2HD2  ASN  79          2HD2      ASN  79   1.043 -18.386  -3.908
  536    H    CYS  80           H        CYS  80  -1.481 -12.917  -6.315
  537    HA   CYS  80           HA       CYS  80  -2.448 -11.663  -3.828
  538   1HB   CYS  80          1HB       CYS  80  -0.703 -10.649  -6.053
  539   2HB   CYS  80          2HB       CYS  80  -1.708  -9.502  -5.151
  540    H    VAL  81           H        VAL  81  -4.416 -10.757  -3.828
  541    HA   VAL  81           HA       VAL  81  -5.743 -10.259  -6.395
  542    HB   VAL  81           HB       VAL  81  -7.873 -11.190  -5.248
  543   1HG1  VAL  81          1HG1      VAL  81  -7.683 -12.751  -6.809
  544   2HG1  VAL  81          2HG1      VAL  81  -6.001 -12.262  -7.022
  545   3HG1  VAL  81          3HG1      VAL  81  -6.405 -13.567  -5.906
  546   1HG2  VAL  81          1HG2      VAL  81  -7.255 -13.240  -3.845
  547   2HG2  VAL  81          2HG2      VAL  81  -5.695 -12.449  -3.613
  548   3HG2  VAL  81          3HG2      VAL  81  -7.174 -11.658  -3.066
  549    H    ALA  82           H        ALA  82  -7.646  -8.912  -6.196
  550    HA   ALA  82           HA       ALA  82  -7.922  -7.422  -3.705
  551   1HB   ALA  82          1HB       ALA  82  -6.498  -6.386  -5.889
  552   2HB   ALA  82          2HB       ALA  82  -8.075  -5.599  -5.932
  553   3HB   ALA  82          3HB       ALA  82  -7.083  -5.505  -4.478
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1  -9.355   7.147   5.051
    2   2H    ALA   1          2H        ALA   1 -10.209   7.253   6.512
    3   3H    ALA   1          3H        ALA   1 -10.607   6.053   5.383
    4    HA   ALA   1           HA       ALA   1  -7.869   5.880   6.016
    5   1HB   ALA   1          1HB       ALA   1  -8.576   6.953   8.127
    6   2HB   ALA   1          2HB       ALA   1  -9.729   5.642   8.377
    7   3HB   ALA   1          3HB       ALA   1  -7.999   5.302   8.359
    8    H    THR   2           H        THR   2  -7.319   3.782   5.717
    9    HA   THR   2           HA       THR   2  -9.509   1.858   5.419
   10    HB   THR   2           HB       THR   2  -6.744   1.029   4.767
   11    HG1  THR   2           1HG      THR   2  -6.396   2.517   3.279
   12   1HG2  THR   2          1HG2      THR   2  -8.335   0.602   2.581
   13   2HG2  THR   2          2HG2      THR   2  -9.500   0.526   3.903
   14   3HG2  THR   2          3HG2      THR   2  -8.100  -0.548   3.899
   15    H    THR   3           H        THR   3  -9.970   1.142   7.458
   16    HA   THR   3           HA       THR   3  -7.885   0.376   9.290
   17    HB   THR   3           HB       THR   3 -10.733  -0.477   9.651
   18    HG1  THR   3           1HG      THR   3 -10.029   2.104  10.489
   19   1HG2  THR   3          1HG2      THR   3 -10.246  -0.003  11.992
   20   2HG2  THR   3          2HG2      THR   3  -8.675   0.668  11.552
   21   3HG2  THR   3          3HG2      THR   3  -8.995  -1.052  11.324
   22    H    ILE   4           H        ILE   4  -6.975  -1.568   9.475
   23    HA   ILE   4           HA       ILE   4  -7.823  -3.595   7.549
   24    HB   ILE   4           HB       ILE   4  -5.284  -3.567   9.175
   25   1HG1  ILE   4          1HG1      ILE   4  -5.676  -2.572   6.340
   26   2HG1  ILE   4          2HG1      ILE   4  -5.572  -1.509   7.764
   27   1HG2  ILE   4          1HG2      ILE   4  -4.573  -5.313   7.899
   28   2HG2  ILE   4          2HG2      ILE   4  -6.306  -5.634   7.884
   29   3HG2  ILE   4          3HG2      ILE   4  -5.545  -4.838   6.507
   30   1HD1  ILE   4          1HD1      ILE   4  -3.397  -3.396   6.841
   31   2HD1  ILE   4          2HD1      ILE   4  -3.444  -1.660   6.526
   32   3HD1  ILE   4          3HD1      ILE   4  -3.302  -2.253   8.180
   33    H    GLY   5           H        GLY   5  -9.140  -5.103   8.251
   34   1HA   GLY   5          1HA       GLY   5  -8.353  -6.645  10.605
   35   2HA   GLY   5          2HA       GLY   5  -9.985  -5.985  10.588
   36    HA   PRO   6           HA       PRO   6  -9.968 -10.175   8.478
   37   1HB   PRO   6          1HB       PRO   6 -12.063 -11.230   9.897
   38   2HB   PRO   6          2HB       PRO   6 -10.359 -11.277  10.457
   39   1HG   PRO   6          1HG       PRO   6 -12.504  -9.336  11.197
   40   2HG   PRO   6          2HG       PRO   6 -11.399 -10.243  12.280
   41   1HD   PRO   6          1HD       PRO   6 -10.948  -7.663  11.595
   42   2HD   PRO   6          2HD       PRO   6  -9.598  -8.830  11.738
   43    H    ASN   7           H        ASN   7 -12.355  -7.758   9.223
   44    HA   ASN   7           HA       ASN   7 -14.262  -8.747   7.284
   45   1HB   ASN   7          1HB       ASN   7 -14.188  -6.555   9.299
   46   2HB   ASN   7          2HB       ASN   7 -15.220  -6.298   7.875
   47   1HD2  ASN   7          1HD2      ASN   7 -15.669  -6.939  10.838
   48   2HD2  ASN   7          2HD2      ASN   7 -16.817  -8.235  10.808
   49    H    THR   8           H        THR   8 -11.491  -6.847   7.271
   50    HA   THR   8           HA       THR   8 -12.185  -5.191   5.019
   51    HB   THR   8           HB       THR   8  -9.388  -5.721   5.989
   52    HG1  THR   8           1HG      THR   8 -10.921  -3.636   7.092
   53   1HG2  THR   8          1HG2      THR   8  -8.820  -3.836   4.879
   54   2HG2  THR   8          2HG2      THR   8 -10.326  -3.017   5.287
   55   3HG2  THR   8          3HG2      THR   8 -10.288  -4.176   3.958
   56    H    CYS   9           H        CYS   9  -9.948  -7.919   5.577
   57    HA   CYS   9           HA       CYS   9 -10.372  -8.830   2.861
   58   1HB   CYS   9          1HB       CYS   9  -8.325  -7.047   3.265
   59   2HB   CYS   9          2HB       CYS   9  -7.498  -8.599   3.475
   60    H    SER  10           H        SER  10 -10.979 -10.822   3.425
   61    HA   SER  10           HA       SER  10  -8.901 -12.596   4.359
   62   1HB   SER  10          1HB       SER  10 -11.541 -12.316   5.832
   63   2HB   SER  10          2HB       SER  10 -10.427 -13.689   6.038
   64    HG   SER  10           HG       SER  10  -9.066 -11.376   6.289
   65    H    ILE  11           H        ILE  11  -9.194 -13.013   2.055
   66    HA   ILE  11           HA       ILE  11 -11.616 -14.498   1.355
   67    HB   ILE  11           HB       ILE  11  -9.495 -14.272  -0.677
   68   1HG1  ILE  11          1HG1      ILE  11 -10.991 -11.805   0.260
   69   2HG1  ILE  11          2HG1      ILE  11  -9.253 -12.105   0.501
   70   1HG2  ILE  11          1HG2      ILE  11 -11.245 -14.518  -2.041
   71   2HG2  ILE  11          2HG2      ILE  11 -12.221 -14.782  -0.596
   72   3HG2  ILE  11          3HG2      ILE  11 -12.105 -13.170  -1.297
   73   1HD1  ILE  11          1HD1      ILE  11  -8.757 -11.753  -1.725
   74   2HD1  ILE  11          2HD1      ILE  11 -10.390 -12.140  -2.265
   75   3HD1  ILE  11          3HD1      ILE  11 -10.069 -10.599  -1.470
   76    H    ASP  12           H        ASP  12 -10.089 -16.047  -0.692
   77    HA   ASP  12           HA       ASP  12  -9.720 -18.378   0.862
   78   1HB   ASP  12          1HB       ASP  12 -10.342 -18.108  -1.662
   79   2HB   ASP  12          2HB       ASP  12  -8.582 -18.114  -1.901
   80    H    ASP  13           H        ASP  13  -8.192 -18.170   2.376
   81    HA   ASP  13           HA       ASP  13  -6.169 -18.027   3.382
   82   1HB   ASP  13          1HB       ASP  13  -5.942 -19.882   1.404
   83   2HB   ASP  13          2HB       ASP  13  -4.626 -18.767   0.976
   84    H    TYR  14           H        TYR  14  -7.110 -15.651   2.305
   85    HA   TYR  14           HA       TYR  14  -4.691 -14.365   1.232
   86   1HB   TYR  14          1HB       TYR  14  -7.611 -13.960   0.773
   87   2HB   TYR  14          2HB       TYR  14  -6.558 -12.536   0.710
   88    HD1  TYR  14           1HD      TYR  14  -4.173 -13.366  -0.603
   89    HD2  TYR  14           2HD      TYR  14  -8.155 -14.651  -1.367
   90    HE1  TYR  14           1HE      TYR  14  -3.545 -13.898  -2.913
   91    HE2  TYR  14           2HE      TYR  14  -7.542 -15.183  -3.689
   92    HH   TYR  14           HH       TYR  14  -5.256 -15.812  -4.901
   93    H    LYS  15           H        LYS  15  -3.657 -13.026   2.516
   94    HA   LYS  15           HA       LYS  15  -5.053 -11.990   4.881
   95   1HB   LYS  15          1HB       LYS  15  -2.466 -11.406   5.397
   96   2HB   LYS  15          2HB       LYS  15  -3.248 -12.933   5.870
   97   1HG   LYS  15          1HG       LYS  15  -2.060 -12.899   3.162
   98   2HG   LYS  15          2HG       LYS  15  -0.907 -12.763   4.510
   99   1HD   LYS  15          1HD       LYS  15  -1.821 -14.789   5.523
  100   2HD   LYS  15          2HD       LYS  15  -3.027 -14.914   4.220
  101   1HE   LYS  15          1HE       LYS  15  -1.493 -16.294   3.294
  102   2HE   LYS  15          2HE       LYS  15  -0.757 -14.769   2.754
  103   1HZ   LYS  15          1HZ       LYS  15   0.924 -14.938   4.250
  104   2HZ   LYS  15          2HZ       LYS  15   0.611 -16.591   4.029
  105   3HZ   LYS  15          3HZ       LYS  15   0.001 -15.796   5.394
  106    HA   PRO  16           HA       PRO  16  -4.858  -7.949   3.199
  107   1HB   PRO  16          1HB       PRO  16  -4.865  -6.698   5.818
  108   2HB   PRO  16          2HB       PRO  16  -6.227  -6.975   4.684
  109   1HG   PRO  16          1HG       PRO  16  -5.919  -8.214   7.111
  110   2HG   PRO  16          2HG       PRO  16  -6.959  -8.805   5.774
  111   1HD   PRO  16          1HD       PRO  16  -4.219  -9.680   6.667
  112   2HD   PRO  16          2HD       PRO  16  -5.559 -10.640   5.970
  113    H    TYR  17           H        TYR  17  -3.378  -6.538   2.572
  114    HA   TYR  17           HA       TYR  17  -0.932  -6.215   4.176
  115   1HB   TYR  17          1HB       TYR  17  -1.294  -6.767   1.254
  116   2HB   TYR  17          2HB       TYR  17   0.069  -5.757   1.768
  117    HD1  TYR  17           1HD      TYR  17  -1.523  -9.070   2.424
  118    HD2  TYR  17           2HD      TYR  17   2.051  -6.764   2.473
  119    HE1  TYR  17           1HE      TYR  17  -0.246 -11.088   2.972
  120    HE2  TYR  17           2HE      TYR  17   3.348  -8.781   3.006
  121    HH   TYR  17           HH       TYR  17   1.850 -11.976   3.151
  122    H    CYS  18           H        CYS  18  -0.077  -4.166   4.274
  123    HA   CYS  18           HA       CYS  18  -1.789  -2.025   3.251
  124   1HB   CYS  18          1HB       CYS  18  -1.158  -1.988   5.654
  125   2HB   CYS  18          2HB       CYS  18   0.547  -1.898   5.182
  126    H    CYS  19           H        CYS  19  -1.273  -1.301   1.287
  127    HA   CYS  19           HA       CYS  19   1.458  -0.574   0.712
  128   1HB   CYS  19          1HB       CYS  19   0.812  -3.104   0.031
  129   2HB   CYS  19          2HB       CYS  19   0.236  -2.257  -1.413
  130    H    GLN  20           H        GLN  20   1.601   1.056  -0.771
  131    HA   GLN  20           HA       GLN  20  -0.929   1.900  -2.010
  132   1HB   GLN  20          1HB       GLN  20  -0.025   4.194  -2.048
  133   2HB   GLN  20          2HB       GLN  20  -0.155   3.541  -0.397
  134   1HG   GLN  20          1HG       GLN  20   2.436   3.466  -1.932
  135   2HG   GLN  20          2HG       GLN  20   1.930   4.902  -1.015
  136   1HE2  GLN  20          1HE2      GLN  20   1.713   4.731   1.254
  137   2HE2  GLN  20          2HE2      GLN  20   2.537   3.490   2.137
  138    H    SER  21           H        SER  21  -1.027   1.476  -4.071
  139    HA   SER  21           HA       SER  21   1.395   0.988  -5.597
  140   1HB   SER  21          1HB       SER  21  -1.103   0.855  -7.099
  141   2HB   SER  21          2HB       SER  21   0.109  -0.414  -6.799
  142    HG   SER  21           HG       SER  21  -2.080   0.362  -5.147
  143    H    MET  22           H        MET  22   2.182   3.147  -5.640
  144    HA   MET  22           HA       MET  22   0.588   5.065  -7.192
  145   1HB   MET  22          1HB       MET  22   3.169   5.853  -5.917
  146   2HB   MET  22          2HB       MET  22   1.663   6.781  -6.112
  147   1HG   MET  22          1HG       MET  22   1.313   4.494  -4.347
  148   2HG   MET  22          2HG       MET  22   2.605   5.568  -3.787
  149   1HE   MET  22          1HE       MET  22  -1.889   6.400  -3.886
  150   2HE   MET  22          2HE       MET  22  -1.080   5.779  -5.324
  151   3HE   MET  22          3HE       MET  22  -1.070   4.839  -3.835
  152    H    SER  23           H        SER  23   3.423   6.371  -7.488
  153    HA   SER  23           HA       SER  23   3.885   5.372 -10.136
  154   1HB   SER  23          1HB       SER  23   5.821   7.208  -8.789
  155   2HB   SER  23          2HB       SER  23   5.187   7.246 -10.452
  156    HG   SER  23           HG       SER  23   3.365   8.222  -9.758
  157    H    GLY  24           H        GLY  24   5.777   4.388 -10.898
  158   1HA   GLY  24          1HA       GLY  24   8.016   3.677  -9.399
  159   2HA   GLY  24          2HA       GLY  24   6.839   2.387  -9.195
  160    HA   PRO  25           HA       PRO  25   8.836   0.864 -12.906
  161   1HB   PRO  25          1HB       PRO  25   7.092  -1.488 -12.650
  162   2HB   PRO  25          2HB       PRO  25   8.863  -1.332 -12.411
  163   1HG   PRO  25          1HG       PRO  25   7.104  -1.789 -10.402
  164   2HG   PRO  25          2HG       PRO  25   8.701  -1.004 -10.174
  165   1HD   PRO  25          1HD       PRO  25   5.931   0.187 -10.340
  166   2HD   PRO  25          2HD       PRO  25   7.323   0.665  -9.322
  167    H    ALA  26           H        ALA  26   7.818   2.425 -14.264
  168    HA   ALA  26           HA       ALA  26   5.756   1.244 -15.945
  169   1HB   ALA  26          1HB       ALA  26   5.412   3.771 -14.394
  170   2HB   ALA  26          2HB       ALA  26   4.674   3.627 -15.988
  171   3HB   ALA  26          3HB       ALA  26   4.250   2.484 -14.713
  172    H    GLY  27           H        GLY  27   7.469   1.020 -17.431
  173   1HA   GLY  27          1HA       GLY  27   8.810   1.659 -19.185
  174   2HA   GLY  27          2HA       GLY  27   7.877   3.149 -19.226
  175    H    SER  28           H        SER  28   9.910   1.833 -16.668
  176    HA   SER  28           HA       SER  28  11.055   4.333 -16.053
  177   1HB   SER  28          1HB       SER  28  12.647   2.126 -15.097
  178   2HB   SER  28          2HB       SER  28  11.584   3.220 -14.180
  179    HG   SER  28           HG       SER  28  11.019   0.703 -15.338
  180    HA   PRO  29           HA       PRO  29  14.279   4.398 -19.144
  181   1HB   PRO  29          1HB       PRO  29  15.497   6.571 -17.559
  182   2HB   PRO  29          2HB       PRO  29  14.726   6.606 -19.178
  183   1HG   PRO  29          1HG       PRO  29  13.624   7.731 -16.994
  184   2HG   PRO  29          2HG       PRO  29  12.660   7.110 -18.374
  185   1HD   PRO  29          1HD       PRO  29  13.214   5.902 -15.659
  186   2HD   PRO  29          2HD       PRO  29  11.718   5.868 -16.642
  187    H    GLY  30           H        GLY  30  14.712   2.302 -17.609
  188   1HA   GLY  30          1HA       GLY  30  17.558   2.245 -17.342
  189   2HA   GLY  30          2HA       GLY  30  16.759   2.209 -15.773
  190    H    LEU  31           H        LEU  31  15.593   0.788 -18.783
  191    HA   LEU  31           HA       LEU  31  15.220  -1.738 -17.396
  192   1HB   LEU  31          1HB       LEU  31  14.327  -2.302 -19.854
  193   2HB   LEU  31          2HB       LEU  31  13.340  -1.471 -18.627
  194    HG   LEU  31           HG       LEU  31  14.632   0.604 -19.924
  195   1HD1  LEU  31          1HD1      LEU  31  15.059  -1.479 -21.601
  196   2HD1  LEU  31          2HD1      LEU  31  13.519  -0.867 -22.204
  197   3HD1  LEU  31          3HD1      LEU  31  14.917   0.204 -22.112
  198   1HD2  LEU  31          1HD2      LEU  31  11.926  -0.592 -19.901
  199   2HD2  LEU  31          2HD2      LEU  31  12.454   1.035 -19.471
  200   3HD2  LEU  31          3HD2      LEU  31  12.268   0.588 -21.166
  201    H    LEU  32           H        LEU  32  17.440  -0.298 -19.567
  202    HA   LEU  32           HA       LEU  32  18.574  -2.875 -20.328
  203   1HB   LEU  32          1HB       LEU  32  20.019  -1.698 -21.800
  204   2HB   LEU  32          2HB       LEU  32  18.403  -0.970 -21.959
  205    HG   LEU  32           HG       LEU  32  19.586   0.622 -20.054
  206   1HD1  LEU  32          1HD1      LEU  32  21.680  -0.007 -22.130
  207   2HD1  LEU  32          2HD1      LEU  32  21.784   1.213 -20.861
  208   3HD1  LEU  32          3HD1      LEU  32  21.752  -0.499 -20.438
  209   1HD2  LEU  32          1HD2      LEU  32  20.001   2.118 -22.149
  210   2HD2  LEU  32          2HD2      LEU  32  19.179   0.813 -23.004
  211   3HD2  LEU  32          3HD2      LEU  32  18.358   1.667 -21.696
  212    H    ASN  33           H        ASN  33  18.887  -0.545 -17.889
  213    HA   ASN  33           HA       ASN  33  21.693  -0.948 -17.368
  214   1HB   ASN  33          1HB       ASN  33  19.481   0.568 -16.010
  215   2HB   ASN  33          2HB       ASN  33  21.016   0.283 -15.163
  216   1HD2  ASN  33          1HD2      ASN  33  22.993   0.968 -16.318
  217   2HD2  ASN  33          2HD2      ASN  33  22.915   2.391 -17.308
  218    H    LEU  34           H        LEU  34  18.708  -2.355 -16.379
  219    HA   LEU  34           HA       LEU  34  20.192  -4.181 -14.614
  220   1HB   LEU  34          1HB       LEU  34  17.577  -2.797 -14.234
  221   2HB   LEU  34          2HB       LEU  34  17.727  -4.467 -13.636
  222    HG   LEU  34           HG       LEU  34  19.988  -3.275 -12.626
  223   1HD1  LEU  34          1HD1      LEU  34  19.627  -1.124 -11.947
  224   2HD1  LEU  34          2HD1      LEU  34  18.785  -1.101 -13.496
  225   3HD1  LEU  34          3HD1      LEU  34  17.872  -1.282 -11.999
  226   1HD2  LEU  34          1HD2      LEU  34  18.721  -3.258 -10.484
  227   2HD2  LEU  34          2HD2      LEU  34  17.252  -3.600 -11.402
  228   3HD2  LEU  34          3HD2      LEU  34  18.577  -4.763 -11.391
  229    H    ILE  35           H        ILE  35  18.707  -6.281 -14.332
  230    HA   ILE  35           HA       ILE  35  17.763  -6.984 -17.036
  231    HB   ILE  35           HB       ILE  35  18.792  -8.883 -14.917
  232   1HG1  ILE  35          1HG1      ILE  35  20.580  -7.443 -15.822
  233   2HG1  ILE  35          2HG1      ILE  35  20.777  -9.146 -16.299
  234   1HG2  ILE  35          1HG2      ILE  35  17.450  -9.243 -17.502
  235   2HG2  ILE  35          2HG2      ILE  35  18.904 -10.217 -17.280
  236   3HG2  ILE  35          3HG2      ILE  35  17.577 -10.336 -16.123
  237   1HD1  ILE  35          1HD1      ILE  35  21.018  -8.407 -18.387
  238   2HD1  ILE  35          2HD1      ILE  35  19.300  -8.011 -18.367
  239   3HD1  ILE  35          3HD1      ILE  35  20.492  -6.781 -17.951
  240    HA   PRO  36           HA       PRO  36  13.962  -7.035 -14.613
  241   1HB   PRO  36          1HB       PRO  36  12.574  -6.932 -17.196
  242   2HB   PRO  36          2HB       PRO  36  12.674  -5.705 -15.891
  243   1HG   PRO  36          1HG       PRO  36  13.851  -5.434 -18.324
  244   2HG   PRO  36          2HG       PRO  36  14.410  -4.597 -16.839
  245   1HD   PRO  36          1HD       PRO  36  15.486  -7.043 -18.242
  246   2HD   PRO  36          2HD       PRO  36  16.361  -5.735 -17.388
  247    H    VAL  37           H        VAL  37  13.283  -8.930 -13.868
  248    HA   VAL  37           HA       VAL  37  13.210 -11.320 -15.417
  249    HB   VAL  37           HB       VAL  37  11.658 -10.892 -12.873
  250   1HG1  VAL  37          1HG1      VAL  37  12.801 -13.372 -12.793
  251   2HG1  VAL  37          2HG1      VAL  37  11.160 -13.026 -13.338
  252   3HG1  VAL  37          3HG1      VAL  37  12.469 -13.172 -14.513
  253   1HG2  VAL  37          1HG2      VAL  37  13.710 -10.119 -12.148
  254   2HG2  VAL  37          2HG2      VAL  37  13.842 -11.848 -11.825
  255   3HG2  VAL  37          3HG2      VAL  37  14.610 -11.157 -13.255
  256    H    ASP  38           H        ASP  38  10.671  -9.353 -13.984
  257    HA   ASP  38           HA       ASP  38   9.128  -9.327 -16.392
  258   1HB   ASP  38          1HB       ASP  38   8.491 -11.544 -15.378
  259   2HB   ASP  38          2HB       ASP  38   7.896 -10.659 -13.956
  260    H    LEU  39           H        LEU  39   7.181  -7.939 -16.110
  261    HA   LEU  39           HA       LEU  39   7.792  -5.743 -14.349
  262   1HB   LEU  39          1HB       LEU  39   6.133  -6.215 -16.683
  263   2HB   LEU  39          2HB       LEU  39   5.244  -5.323 -15.425
  264    HG   LEU  39           HG       LEU  39   7.976  -4.365 -16.129
  265   1HD1  LEU  39          1HD1      LEU  39   7.221  -3.159 -18.053
  266   2HD1  LEU  39          2HD1      LEU  39   6.883  -4.872 -18.306
  267   3HD1  LEU  39          3HD1      LEU  39   5.579  -3.772 -17.857
  268   1HD2  LEU  39          1HD2      LEU  39   5.697  -2.534 -15.945
  269   2HD2  LEU  39          2HD2      LEU  39   5.998  -3.480 -14.487
  270   3HD2  LEU  39          3HD2      LEU  39   7.275  -2.470 -15.160
  271    H    SER  40           H        SER  40   5.340  -8.258 -14.590
  272    HA   SER  40           HA       SER  40   3.961  -7.294 -12.227
  273   1HB   SER  40          1HB       SER  40   2.850  -9.749 -12.906
  274   2HB   SER  40          2HB       SER  40   2.258  -8.152 -13.421
  275    HG   SER  40           HG       SER  40   4.194  -9.733 -14.820
  276    H    ALA  41           H        ALA  41   6.328  -7.775 -11.274
  277    HA   ALA  41           HA       ALA  41   5.962 -10.100  -9.594
  278   1HB   ALA  41          1HB       ALA  41   7.289 -11.495 -10.701
  279   2HB   ALA  41          2HB       ALA  41   7.678 -10.246 -11.884
  280   3HB   ALA  41          3HB       ALA  41   8.632 -10.392 -10.409
  281    H    SER  42           H        SER  42   5.825  -7.602  -8.711
  282    HA   SER  42           HA       SER  42   8.203  -7.362  -7.068
  283   1HB   SER  42          1HB       SER  42   7.206  -4.934  -8.575
  284   2HB   SER  42          2HB       SER  42   8.682  -5.083  -7.591
  285    HG   SER  42           HG       SER  42   8.895  -6.953  -9.397
  286    H    LEU  43           H        LEU  43   6.898  -7.882  -5.311
  287    HA   LEU  43           HA       LEU  43   5.234  -5.621  -4.434
  288   1HB   LEU  43          1HB       LEU  43   4.343  -8.305  -4.910
  289   2HB   LEU  43          2HB       LEU  43   4.250  -7.963  -3.166
  290    HG   LEU  43           HG       LEU  43   2.125  -7.460  -4.150
  291   1HD1  LEU  43          1HD1      LEU  43   1.788  -5.473  -3.128
  292   2HD1  LEU  43          2HD1      LEU  43   3.440  -5.740  -2.574
  293   3HD1  LEU  43          3HD1      LEU  43   3.133  -4.692  -3.958
  294   1HD2  LEU  43          1HD2      LEU  43   3.772  -6.140  -6.236
  295   2HD2  LEU  43          2HD2      LEU  43   2.322  -7.135  -6.392
  296   3HD2  LEU  43          3HD2      LEU  43   2.188  -5.456  -5.874
  297    H    GLY  44           H        GLY  44   6.593  -4.744  -3.001
  298   1HA   GLY  44          1HA       GLY  44   7.476  -6.493  -0.793
  299   2HA   GLY  44          2HA       GLY  44   8.433  -5.134  -1.373
  300    H    CYS  45           H        CYS  45   5.899  -6.150   0.676
  301    HA   CYS  45           HA       CYS  45   5.706  -3.529   1.850
  302   1HB   CYS  45          1HB       CYS  45   3.650  -4.578   0.046
  303   2HB   CYS  45          2HB       CYS  45   3.011  -4.127   1.635
  304    H    VAL  46           H        VAL  46   3.570  -3.887   3.538
  305    HA   VAL  46           HA       VAL  46   4.575  -6.178   5.101
  306    HB   VAL  46           HB       VAL  46   3.874  -4.696   7.105
  307   1HG1  VAL  46          1HG1      VAL  46   6.135  -5.225   6.892
  308   2HG1  VAL  46          2HG1      VAL  46   6.308  -4.301   5.399
  309   3HG1  VAL  46          3HG1      VAL  46   6.111  -3.463   6.938
  310   1HG2  VAL  46          1HG2      VAL  46   3.130  -2.991   5.044
  311   2HG2  VAL  46          2HG2      VAL  46   3.254  -2.586   6.757
  312   3HG2  VAL  46          3HG2      VAL  46   4.620  -2.293   5.679
  313    H    VAL  47           H        VAL  47   3.160  -7.164   6.569
  314    HA   VAL  47           HA       VAL  47   0.538  -7.584   5.604
  315    HB   VAL  47           HB       VAL  47   0.305  -8.709   7.972
  316   1HG1  VAL  47          1HG1      VAL  47   0.385  -9.977   5.943
  317   2HG1  VAL  47          2HG1      VAL  47   2.126  -9.724   5.798
  318   3HG1  VAL  47          3HG1      VAL  47   1.484 -10.713   7.109
  319   1HG2  VAL  47          1HG2      VAL  47   2.049  -8.237   9.300
  320   2HG2  VAL  47          2HG2      VAL  47   2.895  -9.465   8.358
  321   3HG2  VAL  47          3HG2      VAL  47   3.074  -7.759   7.947
  322    H    GLY  48           H        GLY  48  -1.430  -6.946   6.407
  323   1HA   GLY  48          1HA       GLY  48  -1.418  -4.512   8.000
  324   2HA   GLY  48          2HA       GLY  48  -2.802  -5.223   7.177
  325    H    VAL  49           H        VAL  49  -0.936  -5.122  10.075
  326    HA   VAL  49           HA       VAL  49  -2.072  -7.319  11.415
  327    HB   VAL  49           HB       VAL  49  -1.492  -5.777  13.501
  328   1HG1  VAL  49          1HG1      VAL  49   0.271  -7.140  13.687
  329   2HG1  VAL  49          2HG1      VAL  49  -0.274  -7.826  12.156
  330   3HG1  VAL  49          3HG1      VAL  49   0.978  -6.584  12.170
  331   1HG2  VAL  49          1HG2      VAL  49  -0.039  -4.484  11.199
  332   2HG2  VAL  49          2HG2      VAL  49  -1.095  -3.716  12.386
  333   3HG2  VAL  49          3HG2      VAL  49   0.481  -4.335  12.878
  334    H    ILE  50           H        ILE  50  -3.962  -7.611  12.369
  335    HA   ILE  50           HA       ILE  50  -6.136  -6.010  11.695
  336    HB   ILE  50           HB       ILE  50  -5.796  -8.256  13.661
  337   1HG1  ILE  50          1HG1      ILE  50  -7.767  -8.898  11.849
  338   2HG1  ILE  50          2HG1      ILE  50  -6.670  -7.881  10.885
  339   1HG2  ILE  50          1HG2      ILE  50  -7.635  -6.383  14.206
  340   2HG2  ILE  50          2HG2      ILE  50  -8.549  -7.367  13.065
  341   3HG2  ILE  50          3HG2      ILE  50  -7.883  -8.100  14.524
  342   1HD1  ILE  50          1HD1      ILE  50  -5.763  -9.950  10.522
  343   2HD1  ILE  50          2HD1      ILE  50  -4.835  -9.451  11.934
  344   3HD1  ILE  50          3HD1      ILE  50  -6.198 -10.556  12.121
  345    H    GLY  51           H        GLY  51  -6.867  -4.188  12.461
  346   1HA   GLY  51          1HA       GLY  51  -7.737  -2.961  14.381
  347   2HA   GLY  51          2HA       GLY  51  -6.332  -3.504  15.286
  348    H    SER  52           H        SER  52  -5.034  -2.892  12.429
  349    HA   SER  52           HA       SER  52  -4.292  -0.164  13.202
  350   1HB   SER  52          1HB       SER  52  -2.972  -1.779  11.025
  351   2HB   SER  52          2HB       SER  52  -2.285  -0.474  12.022
  352    HG   SER  52           HG       SER  52  -2.848  -3.162  12.738
  353    H    GLN  53           H        GLN  53  -4.153   1.501  11.560
  354    HA   GLN  53           HA       GLN  53  -5.943   1.011   9.269
  355   1HB   GLN  53          1HB       GLN  53  -6.657   3.331   9.364
  356   2HB   GLN  53          2HB       GLN  53  -6.953   2.541  10.931
  357   1HG   GLN  53          1HG       GLN  53  -4.455   4.149  10.430
  358   2HG   GLN  53          2HG       GLN  53  -5.979   4.929  10.908
  359   1HE2  GLN  53          1HE2      GLN  53  -7.062   3.511  12.762
  360   2HE2  GLN  53          2HE2      GLN  53  -6.018   3.219  14.113
  361    H    CYS  54           H        CYS  54  -5.443   2.156   7.333
  362    HA   CYS  54           HA       CYS  54  -2.695   3.171   7.190
  363   1HB   CYS  54          1HB       CYS  54  -3.929   0.919   5.668
  364   2HB   CYS  54          2HB       CYS  54  -2.805   1.983   4.808
  365    H    GLY  55           H        GLY  55  -2.348   4.826   5.749
  366   1HA   GLY  55          1HA       GLY  55  -4.682   6.072   4.546
  367   2HA   GLY  55          2HA       GLY  55  -3.028   6.681   4.505
  368    H    ALA  56           H        ALA  56  -2.457   3.727   3.731
  369    HA   ALA  56           HA       ALA  56  -2.597   4.132   0.862
  370   1HB   ALA  56          1HB       ALA  56  -0.528   3.306   2.031
  371   2HB   ALA  56          2HB       ALA  56  -1.395   1.805   2.350
  372   3HB   ALA  56          3HB       ALA  56  -1.078   2.306   0.687
  373    H    SER  57           H        SER  57  -2.879   1.682  -0.183
  374    HA   SER  57           HA       SER  57  -5.675   1.110   0.416
  375   1HB   SER  57          1HB       SER  57  -4.148  -0.142  -1.853
  376   2HB   SER  57          2HB       SER  57  -5.870   0.302  -1.762
  377    HG   SER  57           HG       SER  57  -4.843   2.575  -1.537
  378    H    VAL  58           H        VAL  58  -6.393  -1.157   0.458
  379    HA   VAL  58           HA       VAL  58  -4.423  -2.815   1.853
  380    HB   VAL  58           HB       VAL  58  -6.552  -4.203   2.398
  381   1HG1  VAL  58          1HG1      VAL  58  -5.835  -1.543   3.597
  382   2HG1  VAL  58          2HG1      VAL  58  -7.058  -2.594   4.309
  383   3HG1  VAL  58          3HG1      VAL  58  -5.393  -3.157   4.153
  384   1HG2  VAL  58          1HG2      VAL  58  -8.049  -1.655   2.266
  385   2HG2  VAL  58          2HG2      VAL  58  -7.813  -2.510   0.741
  386   3HG2  VAL  58          3HG2      VAL  58  -8.618  -3.316   2.088
  387    H    LYS  59           H        LYS  59  -3.647  -4.584   0.965
  388    HA   LYS  59           HA       LYS  59  -4.956  -5.609  -1.469
  389   1HB   LYS  59          1HB       LYS  59  -2.077  -6.087  -0.677
  390   2HB   LYS  59          2HB       LYS  59  -2.837  -6.341  -2.266
  391   1HG   LYS  59          1HG       LYS  59  -3.211  -3.620  -1.663
  392   2HG   LYS  59          2HG       LYS  59  -1.534  -3.997  -1.200
  393   1HD   LYS  59          1HD       LYS  59  -0.975  -3.838  -3.355
  394   2HD   LYS  59          2HD       LYS  59  -1.948  -5.297  -3.660
  395   1HE   LYS  59          1HE       LYS  59  -3.883  -3.998  -4.188
  396   2HE   LYS  59          2HE       LYS  59  -3.116  -2.503  -3.608
  397   1HZ   LYS  59          1HZ       LYS  59  -1.403  -2.952  -5.434
  398   2HZ   LYS  59          2HZ       LYS  59  -2.936  -2.404  -5.917
  399   3HZ   LYS  59          3HZ       LYS  59  -2.535  -4.043  -6.070
  400    H    CYS  60           H        CYS  60  -5.076  -7.890  -1.732
  401    HA   CYS  60           HA       CYS  60  -4.780  -9.403   0.783
  402   1HB   CYS  60          1HB       CYS  60  -6.903  -9.258  -1.200
  403   2HB   CYS  60          2HB       CYS  60  -6.323 -10.920  -1.007
  404    H    CYS  61           H        CYS  61  -2.894 -10.483   0.726
  405    HA   CYS  61           HA       CYS  61  -2.097 -11.636  -1.861
  406   1HB   CYS  61          1HB       CYS  61  -0.760  -9.657  -0.367
  407   2HB   CYS  61          2HB       CYS  61   0.171 -11.146  -0.142
  408    H    LYS  62           H        LYS  62  -1.086 -13.575  -1.883
  409    HA   LYS  62           HA       LYS  62  -0.731 -15.041   0.618
  410   1HB   LYS  62          1HB       LYS  62  -2.945 -15.655  -0.334
  411   2HB   LYS  62          2HB       LYS  62  -2.128 -16.144  -1.838
  412   1HG   LYS  62          1HG       LYS  62  -0.782 -17.551   0.143
  413   2HG   LYS  62          2HG       LYS  62  -2.485 -17.598   0.660
  414   1HD   LYS  62          1HD       LYS  62  -3.152 -18.472  -1.513
  415   2HD   LYS  62          2HD       LYS  62  -1.476 -18.350  -2.100
  416   1HE   LYS  62          1HE       LYS  62  -1.426 -20.537  -1.491
  417   2HE   LYS  62          2HE       LYS  62  -1.059 -19.839   0.101
  418   1HZ   LYS  62          1HZ       LYS  62  -3.041 -20.456   0.917
  419   2HZ   LYS  62          2HZ       LYS  62  -3.055 -21.563  -0.369
  420   3HZ   LYS  62          3HZ       LYS  62  -3.884 -20.097  -0.511
  421    H    ASP  63           H        ASP  63   0.904 -16.503   0.557
  422    HA   ASP  63           HA       ASP  63   2.909 -17.400  -0.022
  423   1HB   ASP  63          1HB       ASP  63   1.723 -17.151  -2.584
  424   2HB   ASP  63          2HB       ASP  63   3.352 -16.452  -2.706
  425    H    ASP  64           H        ASP  64   3.611 -15.865   1.464
  426    HA   ASP  64           HA       ASP  64   4.546 -13.303   0.418
  427   1HB   ASP  64          1HB       ASP  64   4.952 -13.439   3.224
  428   2HB   ASP  64          2HB       ASP  64   3.746 -12.483   2.334
  429    H    VAL  65           H        VAL  65   6.035 -14.295   3.307
  430    HA   VAL  65           HA       VAL  65   8.567 -14.614   1.849
  431    HB   VAL  65           HB       VAL  65   9.095 -14.171   4.599
  432   1HG1  VAL  65          1HG1      VAL  65  10.707 -12.983   3.647
  433   2HG1  VAL  65          2HG1      VAL  65   9.949 -13.268   2.080
  434   3HG1  VAL  65          3HG1      VAL  65   9.537 -11.826   3.011
  435   1HG2  VAL  65          1HG2      VAL  65   6.669 -12.884   3.820
  436   2HG2  VAL  65          2HG2      VAL  65   7.522 -12.800   5.361
  437   3HG2  VAL  65          3HG2      VAL  65   7.911 -11.658   4.075
  438    H    THR  66           H        THR  66   9.751 -16.399   2.078
  439    HA   THR  66           HA       THR  66   8.767 -18.598   3.642
  440    HB   THR  66           HB       THR  66  11.262 -19.321   2.714
  441    HG1  THR  66           1HG      THR  66  10.254 -18.161   0.424
  442   1HG2  THR  66          1HG2      THR  66  10.065 -20.881   1.641
  443   2HG2  THR  66          2HG2      THR  66   9.146 -19.680   0.735
  444   3HG2  THR  66          3HG2      THR  66   8.655 -20.118   2.371
  445    H    ASN  67           H        ASN  67  11.831 -16.960   3.409
  446    HA   ASN  67           HA       ASN  67  12.297 -17.427   6.282
  447   1HB   ASN  67          1HB       ASN  67  13.863 -18.479   4.468
  448   2HB   ASN  67          2HB       ASN  67  14.503 -16.828   4.320
  449   1HD2  ASN  67          1HD2      ASN  67  15.446 -19.533   5.453
  450   2HD2  ASN  67          2HD2      ASN  67  16.160 -19.100   6.971
  451    H    THR  68           H        THR  68  12.833 -15.689   7.550
  452    HA   THR  68           HA       THR  68  12.303 -13.080   6.454
  453    HB   THR  68           HB       THR  68  13.343 -13.263   9.207
  454    HG1  THR  68           1HG      THR  68  10.736 -14.153   9.092
  455   1HG2  THR  68          1HG2      THR  68  10.626 -12.267   8.534
  456   2HG2  THR  68          2HG2      THR  68  11.995 -11.392   7.846
  457   3HG2  THR  68          3HG2      THR  68  11.857 -11.577   9.594
  458    H    GLY  69           H        GLY  69  14.458 -13.923   5.124
  459   1HA   GLY  69          1HA       GLY  69  16.875 -12.917   6.414
  460   2HA   GLY  69          2HA       GLY  69  16.772 -13.652   4.818
  461    H    ASN  70           H        ASN  70  14.942 -10.981   6.187
  462    HA   ASN  70           HA       ASN  70  16.226  -9.055   4.432
  463   1HB   ASN  70          1HB       ASN  70  13.732  -8.328   3.838
  464   2HB   ASN  70          2HB       ASN  70  14.624  -9.505   2.851
  465   1HD2  ASN  70          1HD2      ASN  70  13.191 -10.946   2.174
  466   2HD2  ASN  70          2HD2      ASN  70  12.036 -11.773   3.159
  467    H    SER  71           H        SER  71  15.397  -6.830   4.884
  468    HA   SER  71           HA       SER  71  15.195  -6.415   7.701
  469   1HB   SER  71          1HB       SER  71  14.635  -3.987   6.504
  470   2HB   SER  71          2HB       SER  71  16.259  -4.587   6.914
  471    HG   SER  71           HG       SER  71  16.506  -4.307   4.807
  472    H    PHE  72           H        PHE  72  13.079  -5.534   4.985
  473    HA   PHE  72           HA       PHE  72  10.808  -5.432   6.841
  474   1HB   PHE  72          1HB       PHE  72   9.761  -3.907   5.425
  475   2HB   PHE  72          2HB       PHE  72  11.468  -3.445   5.318
  476    HD1  PHE  72           1HD      PHE  72   8.633  -3.813   3.446
  477    HD2  PHE  72           2HD      PHE  72  12.733  -4.942   3.380
  478    HE1  PHE  72           1HE      PHE  72   8.519  -4.054   1.000
  479    HE2  PHE  72           2HE      PHE  72  12.630  -5.187   0.937
  480    HZ   PHE  72           HZ       PHE  72  10.522  -4.742  -0.254
  481    H    LEU  73           H        LEU  73   8.673  -6.085   5.719
  482    HA   LEU  73           HA       LEU  73   8.909  -8.843   5.069
  483   1HB   LEU  73          1HB       LEU  73   6.950  -7.274   6.135
  484   2HB   LEU  73          2HB       LEU  73   6.342  -7.521   4.480
  485    HG   LEU  73           HG       LEU  73   7.229 -10.018   5.644
  486   1HD1  LEU  73          1HD1      LEU  73   6.471  -9.885   7.722
  487   2HD1  LEU  73          2HD1      LEU  73   5.934  -8.227   7.456
  488   3HD1  LEU  73          3HD1      LEU  73   4.855  -9.573   7.088
  489   1HD2  LEU  73          1HD2      LEU  73   4.444  -9.192   4.890
  490   2HD2  LEU  73          2HD2      LEU  73   5.683  -9.539   3.683
  491   3HD2  LEU  73          3HD2      LEU  73   5.177 -10.793   4.814
  492    H    ILE  74           H        ILE  74   8.969  -9.826   3.154
  493    HA   ILE  74           HA       ILE  74   8.448  -8.217   0.742
  494    HB   ILE  74           HB       ILE  74  10.453 -10.454   1.112
  495   1HG1  ILE  74          1HG1      ILE  74  10.694  -7.483   0.590
  496   2HG1  ILE  74          2HG1      ILE  74  11.293  -8.395   1.997
  497   1HG2  ILE  74          1HG2      ILE  74   9.528  -9.031  -1.376
  498   2HG2  ILE  74          2HG2      ILE  74  11.073  -9.877  -1.282
  499   3HG2  ILE  74          3HG2      ILE  74   9.565 -10.764  -1.058
  500   1HD1  ILE  74          1HD1      ILE  74  12.327  -9.075  -0.718
  501   2HD1  ILE  74          2HD1      ILE  74  12.921  -7.627   0.093
  502   3HD1  ILE  74          3HD1      ILE  74  13.113  -9.207   0.857
  503    H    ILE  75           H        ILE  75   7.012  -9.015  -0.705
  504    HA   ILE  75           HA       ILE  75   5.748 -11.571  -0.010
  505    HB   ILE  75           HB       ILE  75   4.441  -9.822  -2.008
  506   1HG1  ILE  75          1HG1      ILE  75   4.259  -9.097   0.919
  507   2HG1  ILE  75          2HG1      ILE  75   5.420  -8.302  -0.170
  508   1HG2  ILE  75          1HG2      ILE  75   2.857 -11.307  -1.502
  509   2HG2  ILE  75          2HG2      ILE  75   3.771 -11.893  -0.112
  510   3HG2  ILE  75          3HG2      ILE  75   2.702 -10.502   0.060
  511   1HD1  ILE  75          1HD1      ILE  75   2.611  -8.382  -1.089
  512   2HD1  ILE  75          2HD1      ILE  75   2.951  -7.365   0.311
  513   3HD1  ILE  75          3HD1      ILE  75   3.813  -7.094  -1.202
  514    H    ASN  76           H        ASN  76   5.449 -13.169  -1.538
  515    HA   ASN  76           HA       ASN  76   7.381 -13.111  -3.714
  516   1HB   ASN  76          1HB       ASN  76   6.090 -15.139  -2.061
  517   2HB   ASN  76          2HB       ASN  76   6.051 -15.565  -3.786
  518   1HD2  ASN  76          1HD2      ASN  76   8.031 -15.048  -1.000
  519   2HD2  ASN  76          2HD2      ASN  76   9.503 -15.668  -1.671
  520    H    ALA  77           H        ALA  77   4.489 -11.894  -3.513
  521    HA   ALA  77           HA       ALA  77   2.717 -11.477  -4.856
  522   1HB   ALA  77          1HB       ALA  77   4.479 -12.460  -7.099
  523   2HB   ALA  77          2HB       ALA  77   3.069 -11.410  -7.233
  524   3HB   ALA  77          3HB       ALA  77   4.528 -10.828  -6.430
  525    H    ALA  78           H        ALA  78   2.841 -13.441  -7.442
  526    HA   ALA  78           HA       ALA  78   1.939 -15.408  -8.092
  527   1HB   ALA  78          1HB       ALA  78   2.459 -17.259  -6.929
  528   2HB   ALA  78          2HB       ALA  78   3.350 -16.140  -5.898
  529   3HB   ALA  78          3HB       ALA  78   1.726 -16.658  -5.440
  530    H    ASN  79           H        ASN  79   0.537 -14.967  -4.814
  531    HA   ASN  79           HA       ASN  79  -2.099 -14.893  -6.153
  532   1HB   ASN  79          1HB       ASN  79  -1.762 -15.632  -3.257
  533   2HB   ASN  79          2HB       ASN  79  -3.089 -16.032  -4.370
  534   1HD2  ASN  79          1HD2      ASN  79   0.163 -16.827  -3.362
  535   2HD2  ASN  79          2HD2      ASN  79   0.216 -18.391  -4.113
  536    H    CYS  80           H        CYS  80  -2.476 -12.727  -6.319
  537    HA   CYS  80           HA       CYS  80  -2.848 -11.351  -3.786
  538   1HB   CYS  80          1HB       CYS  80  -0.533 -10.861  -5.186
  539   2HB   CYS  80          2HB       CYS  80  -1.610  -9.594  -5.795
  540    H    VAL  81           H        VAL  81  -4.660 -10.234  -3.757
  541    HA   VAL  81           HA       VAL  81  -5.807  -9.283  -6.285
  542    HB   VAL  81           HB       VAL  81  -8.096  -9.867  -5.125
  543   1HG1  VAL  81          1HG1      VAL  81  -8.282 -11.228  -6.869
  544   2HG1  VAL  81          2HG1      VAL  81  -6.551 -11.018  -7.144
  545   3HG1  VAL  81          3HG1      VAL  81  -7.132 -12.369  -6.171
  546   1HG2  VAL  81          1HG2      VAL  81  -6.580 -12.243  -4.148
  547   2HG2  VAL  81          2HG2      VAL  81  -6.672 -10.801  -3.134
  548   3HG2  VAL  81          3HG2      VAL  81  -8.150 -11.619  -3.639
  549    H    ALA  82           H        ALA  82  -7.423  -7.569  -5.954
  550    HA   ALA  82           HA       ALA  82  -7.332  -6.298  -3.318
  551   1HB   ALA  82          1HB       ALA  82  -7.106  -4.475  -5.643
  552   2HB   ALA  82          2HB       ALA  82  -6.452  -4.322  -4.012
  553   3HB   ALA  82          3HB       ALA  82  -5.660  -5.373  -5.183
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  -7.279   8.035   5.683
    2   2H    ALA   1          2H        ALA   1  -8.820   7.406   6.011
    3   3H    ALA   1          3H        ALA   1  -7.973   6.897   4.634
    4    HA   ALA   1           HA       ALA   1  -6.278   5.895   6.018
    5   1HB   ALA   1          1HB       ALA   1  -7.789   5.814   8.466
    6   2HB   ALA   1          2HB       ALA   1  -6.119   6.313   8.198
    7   3HB   ALA   1          3HB       ALA   1  -7.428   7.479   8.015
    8    H    THR   2           H        THR   2  -6.443   3.742   5.880
    9    HA   THR   2           HA       THR   2  -9.155   2.622   5.709
   10    HB   THR   2           HB       THR   2  -6.937   0.993   4.673
   11    HG1  THR   2           1HG      THR   2  -6.271   2.344   3.123
   12   1HG2  THR   2          1HG2      THR   2  -9.554   1.950   3.505
   13   2HG2  THR   2          2HG2      THR   2  -9.268   0.401   4.298
   14   3HG2  THR   2          3HG2      THR   2  -8.481   0.765   2.760
   15    H    THR   3           H        THR   3  -9.704   1.674   7.581
   16    HA   THR   3           HA       THR   3  -7.768   0.408   9.292
   17    HB   THR   3           HB       THR   3 -10.504  -0.349   9.848
   18    HG1  THR   3           1HG      THR   3 -10.138   2.458   9.941
   19   1HG2  THR   3          1HG2      THR   3  -8.254   1.045  11.203
   20   2HG2  THR   3          2HG2      THR   3  -9.189  -0.357  11.722
   21   3HG2  THR   3          3HG2      THR   3  -9.874   1.261  11.866
   22    H    ILE   4           H        ILE   4  -7.041  -1.596   9.045
   23    HA   ILE   4           HA       ILE   4  -8.221  -3.297   7.022
   24    HB   ILE   4           HB       ILE   4  -5.788  -3.762   8.759
   25   1HG1  ILE   4          1HG1      ILE   4  -6.198  -2.485   6.062
   26   2HG1  ILE   4          2HG1      ILE   4  -5.296  -1.866   7.466
   27   1HG2  ILE   4          1HG2      ILE   4  -6.216  -5.111   6.141
   28   2HG2  ILE   4          2HG2      ILE   4  -5.334  -5.661   7.565
   29   3HG2  ILE   4          3HG2      ILE   4  -7.097  -5.709   7.547
   30   1HD1  ILE   4          1HD1      ILE   4  -4.383  -4.323   6.008
   31   2HD1  ILE   4          2HD1      ILE   4  -3.979  -2.710   5.415
   32   3HD1  ILE   4          3HD1      ILE   4  -3.456  -3.218   7.022
   33    H    GLY   5           H        GLY   5  -9.536  -4.960   7.391
   34   1HA   GLY   5          1HA       GLY   5 -10.134  -5.672  10.167
   35   2HA   GLY   5          2HA       GLY   5 -11.117  -6.068   8.762
   36    HA   PRO   6           HA       PRO   6  -8.485  -9.775  10.224
   37   1HB   PRO   6          1HB       PRO   6 -11.206 -11.025  10.162
   38   2HB   PRO   6          2HB       PRO   6  -9.879 -11.163  11.361
   39   1HG   PRO   6          1HG       PRO   6 -12.064  -9.739  11.858
   40   2HG   PRO   6          2HG       PRO   6 -10.456  -9.251  12.485
   41   1HD   PRO   6          1HD       PRO   6 -12.092  -8.158  10.201
   42   2HD   PRO   6          2HD       PRO   6 -11.006  -7.307  11.342
   43    H    ASN   7           H        ASN   7 -11.138  -9.315   7.955
   44    HA   ASN   7           HA       ASN   7  -9.535 -10.616   5.904
   45   1HB   ASN   7          1HB       ASN   7 -11.836 -11.670   5.091
   46   2HB   ASN   7          2HB       ASN   7 -10.772 -12.526   6.229
   47   1HD2  ASN   7          1HD2      ASN   7 -11.457 -12.895   8.278
   48   2HD2  ASN   7          2HD2      ASN   7 -13.034 -12.496   8.865
   49    H    THR   8           H        THR   8  -9.254  -8.524   5.126
   50    HA   THR   8           HA       THR   8 -11.289  -6.712   4.477
   51    HB   THR   8           HB       THR   8  -8.957  -6.808   2.666
   52    HG1  THR   8           1HG      THR   8  -7.467  -6.734   4.188
   53   1HG2  THR   8          1HG2      THR   8  -9.228  -4.581   2.656
   54   2HG2  THR   8          2HG2      THR   8  -9.392  -4.495   4.411
   55   3HG2  THR   8          3HG2      THR   8 -10.783  -4.921   3.411
   56    H    CYS   9           H        CYS   9  -9.916  -9.407   2.722
   57    HA   CYS   9           HA       CYS   9 -11.697  -8.896   0.452
   58   1HB   CYS   9          1HB       CYS   9 -10.257 -10.648  -0.667
   59   2HB   CYS   9          2HB       CYS   9  -9.429  -9.142  -0.237
   60    H    SER  10           H        SER  10 -12.899 -10.715  -0.427
   61    HA   SER  10           HA       SER  10 -13.839 -12.476   1.708
   62   1HB   SER  10          1HB       SER  10 -15.194 -12.651  -0.894
   63   2HB   SER  10          2HB       SER  10 -15.871 -12.370   0.728
   64    HG   SER  10           HG       SER  10 -14.555 -10.419  -0.895
   65    H    ILE  11           H        ILE  11 -11.405 -13.262   1.028
   66    HA   ILE  11           HA       ILE  11 -11.873 -15.677  -0.592
   67    HB   ILE  11           HB       ILE  11  -9.062 -15.022  -0.393
   68   1HG1  ILE  11          1HG1      ILE  11 -10.315 -12.701  -0.471
   69   2HG1  ILE  11          2HG1      ILE  11  -8.858 -12.995  -1.451
   70   1HG2  ILE  11          1HG2      ILE  11  -9.266 -16.421  -2.109
   71   2HG2  ILE  11          2HG2      ILE  11 -10.983 -16.057  -2.302
   72   3HG2  ILE  11          3HG2      ILE  11  -9.773 -15.021  -3.059
   73   1HD1  ILE  11          1HD1      ILE  11 -11.732 -12.966  -2.365
   74   2HD1  ILE  11          2HD1      ILE  11 -10.421 -11.887  -2.843
   75   3HD1  ILE  11          3HD1      ILE  11 -10.405 -13.574  -3.359
   76    H    ASP  12           H        ASP  12 -10.739 -17.572   0.118
   77    HA   ASP  12           HA       ASP  12 -10.842 -17.758   2.972
   78   1HB   ASP  12          1HB       ASP  12 -11.270 -19.523   0.930
   79   2HB   ASP  12          2HB       ASP  12  -9.677 -20.040   1.521
   80    H    ASP  13           H        ASP  13  -9.286 -17.142   4.246
   81    HA   ASP  13           HA       ASP  13  -7.275 -16.938   5.269
   82   1HB   ASP  13          1HB       ASP  13  -7.400 -19.554   4.230
   83   2HB   ASP  13          2HB       ASP  13  -5.760 -18.965   3.880
   84    H    TYR  14           H        TYR  14  -7.134 -14.910   3.952
   85    HA   TYR  14           HA       TYR  14  -4.678 -15.004   2.336
   86   1HB   TYR  14          1HB       TYR  14  -7.303 -13.771   1.738
   87   2HB   TYR  14          2HB       TYR  14  -5.896 -12.742   1.421
   88    HD1  TYR  14           1HD      TYR  14  -7.492 -15.977   0.581
   89    HD2  TYR  14           2HD      TYR  14  -4.444 -13.187  -0.419
   90    HE1  TYR  14           1HE      TYR  14  -7.084 -17.183  -1.519
   91    HE2  TYR  14           2HE      TYR  14  -4.031 -14.384  -2.524
   92    HH   TYR  14           HH       TYR  14  -5.405 -15.936  -4.077
   93    H    LYS  15           H        LYS  15  -3.170 -13.407   2.715
   94    HA   LYS  15           HA       LYS  15  -3.500 -12.031   5.262
   95   1HB   LYS  15          1HB       LYS  15  -0.987 -11.889   3.635
   96   2HB   LYS  15          2HB       LYS  15  -1.193 -11.889   5.403
   97   1HG   LYS  15          1HG       LYS  15  -1.847 -14.303   5.249
   98   2HG   LYS  15          2HG       LYS  15  -1.413 -14.253   3.524
   99   1HD   LYS  15          1HD       LYS  15   0.447 -13.639   5.845
  100   2HD   LYS  15          2HD       LYS  15   0.424 -15.145   4.898
  101   1HE   LYS  15          1HE       LYS  15   0.691 -13.418   2.877
  102   2HE   LYS  15          2HE       LYS  15   1.418 -12.426   4.160
  103   1HZ   LYS  15          1HZ       LYS  15   3.108 -13.958   4.495
  104   2HZ   LYS  15          2HZ       LYS  15   2.922 -13.968   2.804
  105   3HZ   LYS  15          3HZ       LYS  15   2.275 -15.227   3.739
  106    HA   PRO  16           HA       PRO  16  -4.287  -8.208   3.082
  107   1HB   PRO  16          1HB       PRO  16  -4.419  -6.929   5.709
  108   2HB   PRO  16          2HB       PRO  16  -5.736  -7.317   4.555
  109   1HG   PRO  16          1HG       PRO  16  -5.402  -8.532   6.968
  110   2HG   PRO  16          2HG       PRO  16  -6.288  -9.254   5.585
  111   1HD   PRO  16          1HD       PRO  16  -3.492  -9.756   6.607
  112   2HD   PRO  16          2HD       PRO  16  -4.677 -10.899   5.904
  113    H    TYR  17           H        TYR  17  -2.982  -6.595   2.432
  114    HA   TYR  17           HA       TYR  17  -0.541  -6.055   4.001
  115   1HB   TYR  17          1HB       TYR  17  -0.892  -6.601   1.066
  116   2HB   TYR  17          2HB       TYR  17   0.436  -5.567   1.618
  117    HD1  TYR  17           1HD      TYR  17   2.452  -6.538   2.262
  118    HD2  TYR  17           2HD      TYR  17  -1.047  -8.951   2.161
  119    HE1  TYR  17           1HE      TYR  17   3.827  -8.532   2.672
  120    HE2  TYR  17           2HE      TYR  17   0.315 -10.957   2.581
  121    HH   TYR  17           HH       TYR  17   3.208 -11.377   2.054
  122    H    CYS  18           H        CYS  18   0.076  -3.917   4.144
  123    HA   CYS  18           HA       CYS  18  -1.736  -1.930   2.998
  124   1HB   CYS  18          1HB       CYS  18   0.692  -1.385   4.723
  125   2HB   CYS  18          2HB       CYS  18  -0.683  -0.311   4.415
  126    H    CYS  19           H        CYS  19  -1.306  -1.318   0.957
  127    HA   CYS  19           HA       CYS  19   1.519  -1.049   0.195
  128   1HB   CYS  19          1HB       CYS  19  -0.859  -1.832  -1.502
  129   2HB   CYS  19          2HB       CYS  19   0.744  -1.458  -2.157
  130    H    GLN  20           H        GLN  20   2.178   0.932  -0.285
  131    HA   GLN  20           HA       GLN  20   0.158   2.985  -0.851
  132   1HB   GLN  20          1HB       GLN  20   3.099   3.458  -0.365
  133   2HB   GLN  20          2HB       GLN  20   1.755   4.616  -0.219
  134   1HG   GLN  20          1HG       GLN  20   1.164   2.487   1.525
  135   2HG   GLN  20          2HG       GLN  20   2.887   2.854   1.753
  136   1HE2  GLN  20          1HE2      GLN  20   1.442   5.620   0.664
  137   2HE2  GLN  20          2HE2      GLN  20   1.116   6.383   2.182
  138    H    SER  21           H        SER  21  -0.285   3.103  -2.912
  139    HA   SER  21           HA       SER  21   1.870   2.632  -4.853
  140   1HB   SER  21          1HB       SER  21  -1.050   2.563  -5.571
  141   2HB   SER  21          2HB       SER  21   0.317   1.712  -6.330
  142    HG   SER  21           HG       SER  21   0.475   0.535  -4.258
  143    H    MET  22           H        MET  22  -0.100   5.076  -3.582
  144    HA   MET  22           HA       MET  22  -0.010   6.681  -6.009
  145   1HB   MET  22          1HB       MET  22  -1.964   6.659  -4.367
  146   2HB   MET  22          2HB       MET  22  -0.915   7.626  -3.303
  147   1HG   MET  22          1HG       MET  22  -2.629   8.746  -4.991
  148   2HG   MET  22          2HG       MET  22  -1.066   9.485  -4.606
  149   1HE   MET  22          1HE       MET  22  -3.079   7.852  -7.929
  150   2HE   MET  22          2HE       MET  22  -3.403   9.222  -6.868
  151   3HE   MET  22          3HE       MET  22  -2.625   9.482  -8.430
  152    H    SER  23           H        SER  23   2.215   6.758  -6.160
  153    HA   SER  23           HA       SER  23   3.672   8.314  -4.187
  154   1HB   SER  23          1HB       SER  23   5.268   7.720  -6.492
  155   2HB   SER  23          2HB       SER  23   5.406   7.053  -4.847
  156    HG   SER  23           HG       SER  23   4.809   5.243  -5.770
  157    H    GLY  24           H        GLY  24   1.858   8.801  -6.941
  158   1HA   GLY  24          1HA       GLY  24   1.739  11.405  -7.213
  159   2HA   GLY  24          2HA       GLY  24   3.357  11.137  -7.852
  160    HA   PRO  25           HA       PRO  25  -0.288  10.259 -10.964
  161   1HB   PRO  25          1HB       PRO  25   0.335  13.003 -11.975
  162   2HB   PRO  25          2HB       PRO  25  -1.237  12.176 -11.723
  163   1HG   PRO  25          1HG       PRO  25  -0.395  14.114 -10.107
  164   2HG   PRO  25          2HG       PRO  25  -1.380  12.740  -9.507
  165   1HD   PRO  25          1HD       PRO  25   1.576  13.299  -9.260
  166   2HD   PRO  25          2HD       PRO  25   0.457  12.526  -8.097
  167    H    ALA  26           H        ALA  26   0.566   9.008 -12.469
  168    HA   ALA  26           HA       ALA  26   3.105   9.840 -13.720
  169   1HB   ALA  26          1HB       ALA  26   2.257   7.305 -12.542
  170   2HB   ALA  26          2HB       ALA  26   2.960   7.139 -14.151
  171   3HB   ALA  26          3HB       ALA  26   3.878   7.921 -12.864
  172    H    GLY  27           H        GLY  27   0.555  10.657 -14.666
  173   1HA   GLY  27          1HA       GLY  27   0.196   9.064 -17.112
  174   2HA   GLY  27          2HA       GLY  27  -0.911  10.294 -16.511
  175    H    SER  28           H        SER  28   2.498  10.840 -16.543
  176    HA   SER  28           HA       SER  28   2.281  13.250 -17.990
  177   1HB   SER  28          1HB       SER  28   4.969  12.217 -18.007
  178   2HB   SER  28          2HB       SER  28   4.290  13.547 -17.039
  179    HG   SER  28           HG       SER  28   4.851  12.110 -15.511
  180    HA   PRO  29           HA       PRO  29   2.409  11.459 -22.090
  181   1HB   PRO  29          1HB       PRO  29   2.416  14.189 -23.138
  182   2HB   PRO  29          2HB       PRO  29   1.098  12.972 -23.112
  183   1HG   PRO  29          1HG       PRO  29   1.096  15.267 -21.647
  184   2HG   PRO  29          2HG       PRO  29   0.152  13.800 -21.229
  185   1HD   PRO  29          1HD       PRO  29   2.760  14.841 -20.122
  186   2HD   PRO  29          2HD       PRO  29   1.411  14.013 -19.286
  187    H    GLY  30           H        GLY  30   4.906  11.754 -20.694
  188   1HA   GLY  30          1HA       GLY  30   6.654  12.935 -22.750
  189   2HA   GLY  30          2HA       GLY  30   7.124  12.598 -21.088
  190    H    LEU  31           H        LEU  31   5.237  10.260 -22.744
  191    HA   LEU  31           HA       LEU  31   7.454   8.386 -22.617
  192   1HB   LEU  31          1HB       LEU  31   4.970   8.014 -21.856
  193   2HB   LEU  31          2HB       LEU  31   4.712   7.656 -23.580
  194    HG   LEU  31           HG       LEU  31   6.820   6.056 -23.116
  195   1HD1  LEU  31          1HD1      LEU  31   5.711   5.121 -20.725
  196   2HD1  LEU  31          2HD1      LEU  31   7.302   5.845 -20.960
  197   3HD1  LEU  31          3HD1      LEU  31   5.931   6.855 -20.501
  198   1HD2  LEU  31          1HD2      LEU  31   5.353   4.385 -23.482
  199   2HD2  LEU  31          2HD2      LEU  31   4.275   4.903 -22.185
  200   3HD2  LEU  31          3HD2      LEU  31   4.224   5.714 -23.750
  201    H    LEU  32           H        LEU  32   8.632   9.389 -24.356
  202    HA   LEU  32           HA       LEU  32   7.576   8.929 -27.041
  203   1HB   LEU  32          1HB       LEU  32   9.644   9.989 -27.830
  204   2HB   LEU  32          2HB       LEU  32   8.781  11.017 -26.661
  205    HG   LEU  32           HG       LEU  32  10.814   9.313 -25.423
  206   1HD1  LEU  32          1HD1      LEU  32  12.579  11.058 -26.329
  207   2HD1  LEU  32          2HD1      LEU  32  12.256   9.545 -27.178
  208   3HD1  LEU  32          3HD1      LEU  32  11.512  11.043 -27.734
  209   1HD2  LEU  32          1HD2      LEU  32  11.308  11.304 -24.230
  210   2HD2  LEU  32          2HD2      LEU  32  10.518  12.308 -25.446
  211   3HD2  LEU  32          3HD2      LEU  32   9.556  11.248 -24.417
  212    H    ASN  33           H        ASN  33   9.315   7.393 -24.629
  213    HA   ASN  33           HA       ASN  33  10.338   5.371 -26.510
  214   1HB   ASN  33          1HB       ASN  33  11.985   6.418 -24.920
  215   2HB   ASN  33          2HB       ASN  33  11.036   5.739 -23.580
  216   1HD2  ASN  33          1HD2      ASN  33  13.030   4.688 -23.016
  217   2HD2  ASN  33          2HD2      ASN  33  13.465   3.196 -23.792
  218    H    LEU  34           H        LEU  34   9.356   3.423 -26.532
  219    HA   LEU  34           HA       LEU  34   6.897   3.188 -25.073
  220   1HB   LEU  34          1HB       LEU  34   7.580   2.398 -27.507
  221   2HB   LEU  34          2HB       LEU  34   7.998   0.904 -26.634
  222    HG   LEU  34           HG       LEU  34   5.684   0.777 -25.787
  223   1HD1  LEU  34          1HD1      LEU  34   4.531   2.683 -25.709
  224   2HD1  LEU  34          2HD1      LEU  34   5.571   3.458 -26.903
  225   3HD1  LEU  34          3HD1      LEU  34   4.230   2.442 -27.430
  226   1HD2  LEU  34          1HD2      LEU  34   6.588   0.354 -28.426
  227   2HD2  LEU  34          2HD2      LEU  34   5.281  -0.469 -27.576
  228   3HD2  LEU  34          3HD2      LEU  34   4.940   0.973 -28.530
  229    H    ILE  35           H        ILE  35   7.689   3.090 -22.913
  230    HA   ILE  35           HA       ILE  35   8.516   0.353 -22.192
  231    HB   ILE  35           HB       ILE  35   8.908   2.260 -20.045
  232   1HG1  ILE  35          1HG1      ILE  35  11.050   2.668 -22.020
  233   2HG1  ILE  35          2HG1      ILE  35   9.492   3.397 -22.477
  234   1HG2  ILE  35          1HG2      ILE  35   9.960   0.254 -19.719
  235   2HG2  ILE  35          2HG2      ILE  35  10.430   0.099 -21.412
  236   3HG2  ILE  35          3HG2      ILE  35  11.298   1.213 -20.355
  237   1HD1  ILE  35          1HD1      ILE  35   9.463   4.522 -20.243
  238   2HD1  ILE  35          2HD1      ILE  35  11.100   3.924 -19.979
  239   3HD1  ILE  35          3HD1      ILE  35  10.773   5.041 -21.304
  240    HA   PRO  36           HA       PRO  36   4.192   0.739 -20.756
  241   1HB   PRO  36          1HB       PRO  36   4.550  -2.207 -20.448
  242   2HB   PRO  36          2HB       PRO  36   3.307  -1.264 -21.334
  243   1HG   PRO  36          1HG       PRO  36   5.235  -2.617 -22.589
  244   2HG   PRO  36          2HG       PRO  36   4.544  -1.097 -23.247
  245   1HD   PRO  36          1HD       PRO  36   7.166  -1.625 -21.855
  246   2HD   PRO  36          2HD       PRO  36   6.780  -0.474 -23.170
  247    H    VAL  37           H        VAL  37   3.756   1.273 -18.735
  248    HA   VAL  37           HA       VAL  37   5.597   0.494 -16.635
  249    HB   VAL  37           HB       VAL  37   5.039   2.797 -16.606
  250   1HG1  VAL  37          1HG1      VAL  37   2.425   1.890 -17.382
  251   2HG1  VAL  37          2HG1      VAL  37   2.319   3.015 -16.028
  252   3HG1  VAL  37          3HG1      VAL  37   3.140   3.496 -17.511
  253   1HG2  VAL  37          1HG2      VAL  37   4.076   3.122 -14.402
  254   2HG2  VAL  37          2HG2      VAL  37   3.424   1.484 -14.428
  255   3HG2  VAL  37          3HG2      VAL  37   5.169   1.737 -14.401
  256    H    ASP  38           H        ASP  38   5.309  -1.277 -15.505
  257    HA   ASP  38           HA       ASP  38   2.620  -1.924 -14.548
  258   1HB   ASP  38          1HB       ASP  38   2.521  -3.963 -15.488
  259   2HB   ASP  38          2HB       ASP  38   3.849  -3.415 -16.534
  260    H    LEU  39           H        LEU  39   2.546  -2.934 -12.535
  261    HA   LEU  39           HA       LEU  39   5.105  -3.089 -11.085
  262   1HB   LEU  39          1HB       LEU  39   3.146  -1.119 -10.716
  263   2HB   LEU  39          2HB       LEU  39   2.906  -2.268  -9.378
  264    HG   LEU  39           HG       LEU  39   5.687  -1.763  -9.556
  265   1HD1  LEU  39          1HD1      LEU  39   5.690   0.689  -9.150
  266   2HD1  LEU  39          2HD1      LEU  39   5.273   0.241 -10.803
  267   3HD1  LEU  39          3HD1      LEU  39   4.009   0.736  -9.676
  268   1HD2  LEU  39          1HD2      LEU  39   5.434  -1.609  -7.341
  269   2HD2  LEU  39          2HD2      LEU  39   4.205  -0.350  -7.474
  270   3HD2  LEU  39          3HD2      LEU  39   3.754  -2.047  -7.644
  271    H    SER  40           H        SER  40   3.219  -5.044 -12.336
  272    HA   SER  40           HA       SER  40   1.840  -6.298 -10.133
  273   1HB   SER  40          1HB       SER  40   1.975  -7.960 -12.484
  274   2HB   SER  40          2HB       SER  40   0.569  -7.128 -11.778
  275    HG   SER  40           HG       SER  40   2.469  -6.071 -13.639
  276    H    ALA  41           H        ALA  41   4.940  -6.522 -11.558
  277    HA   ALA  41           HA       ALA  41   5.374  -9.189 -10.405
  278   1HB   ALA  41          1HB       ALA  41   7.089  -7.647 -12.354
  279   2HB   ALA  41          2HB       ALA  41   7.393  -9.288 -11.779
  280   3HB   ALA  41          3HB       ALA  41   5.968  -8.948 -12.764
  281    H    SER  42           H        SER  42   5.488  -6.192  -9.320
  282    HA   SER  42           HA       SER  42   7.889  -6.664  -7.694
  283   1HB   SER  42          1HB       SER  42   7.154  -3.881  -8.568
  284   2HB   SER  42          2HB       SER  42   8.722  -4.502  -7.998
  285    HG   SER  42           HG       SER  42   8.956  -5.605  -9.959
  286    H    LEU  43           H        LEU  43   6.706  -7.260  -5.887
  287    HA   LEU  43           HA       LEU  43   4.851  -5.210  -4.876
  288   1HB   LEU  43          1HB       LEU  43   4.478  -8.054  -5.262
  289   2HB   LEU  43          2HB       LEU  43   4.229  -7.599  -3.560
  290    HG   LEU  43           HG       LEU  43   2.129  -7.575  -4.846
  291   1HD1  LEU  43          1HD1      LEU  43   3.211  -5.019  -3.725
  292   2HD1  LEU  43          2HD1      LEU  43   1.573  -5.094  -4.379
  293   3HD1  LEU  43          3HD1      LEU  43   2.034  -6.133  -3.031
  294   1HD2  LEU  43          1HD2      LEU  43   3.746  -5.864  -6.642
  295   2HD2  LEU  43          2HD2      LEU  43   2.458  -7.012  -7.019
  296   3HD2  LEU  43          3HD2      LEU  43   2.057  -5.407  -6.410
  297    H    GLY  44           H        GLY  44   6.009  -4.099  -3.477
  298   1HA   GLY  44          1HA       GLY  44   7.329  -5.610  -1.310
  299   2HA   GLY  44          2HA       GLY  44   7.912  -4.060  -1.902
  300    H    CYS  45           H        CYS  45   5.629  -5.672   0.114
  301    HA   CYS  45           HA       CYS  45   4.793  -3.083   1.183
  302   1HB   CYS  45          1HB       CYS  45   2.923  -5.372   0.533
  303   2HB   CYS  45          2HB       CYS  45   2.467  -3.893   1.393
  304    H    VAL  46           H        VAL  46   3.390  -3.561   3.252
  305    HA   VAL  46           HA       VAL  46   4.726  -5.708   4.761
  306    HB   VAL  46           HB       VAL  46   4.072  -4.135   6.775
  307   1HG1  VAL  46          1HG1      VAL  46   6.278  -4.356   6.904
  308   2HG1  VAL  46          2HG1      VAL  46   6.430  -4.489   5.153
  309   3HG1  VAL  46          3HG1      VAL  46   6.411  -2.899   5.917
  310   1HG2  VAL  46          1HG2      VAL  46   3.601  -1.992   6.352
  311   2HG2  VAL  46          2HG2      VAL  46   4.869  -1.864   5.131
  312   3HG2  VAL  46          3HG2      VAL  46   3.284  -2.507   4.694
  313    H    VAL  47           H        VAL  47   3.460  -6.814   6.292
  314    HA   VAL  47           HA       VAL  47   0.801  -7.286   5.471
  315    HB   VAL  47           HB       VAL  47   1.267  -8.186   8.184
  316   1HG1  VAL  47          1HG1      VAL  47  -0.076  -9.726   7.309
  317   2HG1  VAL  47          2HG1      VAL  47   0.244  -9.141   5.673
  318   3HG1  VAL  47          3HG1      VAL  47   1.307 -10.344   6.404
  319   1HG2  VAL  47          1HG2      VAL  47   3.621  -8.029   6.665
  320   2HG2  VAL  47          2HG2      VAL  47   3.371  -8.898   8.178
  321   3HG2  VAL  47          3HG2      VAL  47   3.131  -9.723   6.638
  322    H    GLY  48           H        GLY  48  -1.138  -6.726   6.356
  323   1HA   GLY  48          1HA       GLY  48  -1.096  -4.279   7.916
  324   2HA   GLY  48          2HA       GLY  48  -2.499  -5.007   7.146
  325    H    VAL  49           H        VAL  49  -1.707  -4.042   9.971
  326    HA   VAL  49           HA       VAL  49  -2.115  -6.412  11.572
  327    HB   VAL  49           HB       VAL  49  -2.292  -3.530  12.470
  328   1HG1  VAL  49          1HG1      VAL  49  -1.439  -5.854  14.150
  329   2HG1  VAL  49          2HG1      VAL  49  -2.099  -4.294  14.649
  330   3HG1  VAL  49          3HG1      VAL  49  -3.149  -5.501  13.906
  331   1HG2  VAL  49          1HG2      VAL  49   0.176  -4.999  13.050
  332   2HG2  VAL  49          2HG2      VAL  49  -0.071  -4.636  11.340
  333   3HG2  VAL  49          3HG2      VAL  49  -0.058  -3.330  12.527
  334    H    ILE  50           H        ILE  50  -4.044  -7.324  11.754
  335    HA   ILE  50           HA       ILE  50  -6.402  -6.130  10.766
  336    HB   ILE  50           HB       ILE  50  -7.591  -8.069  11.773
  337   1HG1  ILE  50          1HG1      ILE  50  -4.860  -9.047  12.623
  338   2HG1  ILE  50          2HG1      ILE  50  -5.979  -8.237  13.747
  339   1HG2  ILE  50          1HG2      ILE  50  -5.203  -9.229  10.459
  340   2HG2  ILE  50          2HG2      ILE  50  -6.915  -9.456  10.108
  341   3HG2  ILE  50          3HG2      ILE  50  -6.097  -7.983   9.587
  342   1HD1  ILE  50          1HD1      ILE  50  -5.858 -10.906  13.402
  343   2HD1  ILE  50          2HD1      ILE  50  -7.311 -10.049  13.914
  344   3HD1  ILE  50          3HD1      ILE  50  -7.106 -10.500  12.222
  345    H    GLY  51           H        GLY  51  -7.536  -4.578  11.633
  346   1HA   GLY  51          1HA       GLY  51  -8.956  -3.802  13.430
  347   2HA   GLY  51          2HA       GLY  51  -7.773  -4.425  14.571
  348    H    SER  52           H        SER  52  -5.779  -3.230  12.440
  349    HA   SER  52           HA       SER  52  -5.732  -0.590  13.720
  350   1HB   SER  52          1HB       SER  52  -3.554  -2.151  12.302
  351   2HB   SER  52          2HB       SER  52  -3.352  -0.525  12.997
  352    HG   SER  52           HG       SER  52  -4.402  -2.528  14.651
  353    H    GLN  53           H        GLN  53  -4.681   1.150  12.252
  354    HA   GLN  53           HA       GLN  53  -6.161   1.066   9.710
  355   1HB   GLN  53          1HB       GLN  53  -5.124   3.669  10.637
  356   2HB   GLN  53          2HB       GLN  53  -6.707   3.247   9.942
  357   1HG   GLN  53          1HG       GLN  53  -7.665   3.073  11.950
  358   2HG   GLN  53          2HG       GLN  53  -6.299   2.159  12.624
  359   1HE2  GLN  53          1HE2      GLN  53  -4.437   3.376  13.328
  360   2HE2  GLN  53          2HE2      GLN  53  -4.632   4.998  13.901
  361    H    CYS  54           H        CYS  54  -5.192   1.484   7.829
  362    HA   CYS  54           HA       CYS  54  -2.336   2.209   7.862
  363   1HB   CYS  54          1HB       CYS  54  -3.699  -0.092   6.611
  364   2HB   CYS  54          2HB       CYS  54  -2.634   0.804   5.516
  365    H    GLY  55           H        GLY  55  -1.981   4.060   6.810
  366   1HA   GLY  55          1HA       GLY  55  -4.036   5.286   5.210
  367   2HA   GLY  55          2HA       GLY  55  -2.435   5.937   5.534
  368    H    ALA  56           H        ALA  56  -3.676   3.031   3.920
  369    HA   ALA  56           HA       ALA  56  -2.440   3.802   1.415
  370   1HB   ALA  56          1HB       ALA  56  -1.395   1.597   3.150
  371   2HB   ALA  56          2HB       ALA  56  -1.250   1.504   1.396
  372   3HB   ALA  56          3HB       ALA  56  -0.504   2.839   2.271
  373    H    SER  57           H        SER  57  -2.680   1.782  -0.129
  374    HA   SER  57           HA       SER  57  -5.461   0.977   0.045
  375   1HB   SER  57          1HB       SER  57  -3.544   0.226  -2.160
  376   2HB   SER  57          2HB       SER  57  -5.310   0.441  -2.243
  377    HG   SER  57           HG       SER  57  -4.677   2.741  -1.553
  378    H    VAL  58           H        VAL  58  -6.104  -0.945   0.758
  379    HA   VAL  58           HA       VAL  58  -4.104  -2.816   1.675
  380    HB   VAL  58           HB       VAL  58  -7.085  -3.212   1.862
  381   1HG1  VAL  58          1HG1      VAL  58  -6.319  -4.357   4.018
  382   2HG1  VAL  58          2HG1      VAL  58  -5.958  -5.167   2.495
  383   3HG1  VAL  58          3HG1      VAL  58  -4.694  -4.274   3.335
  384   1HG2  VAL  58          1HG2      VAL  58  -7.205  -1.345   3.085
  385   2HG2  VAL  58          2HG2      VAL  58  -6.262  -2.200   4.306
  386   3HG2  VAL  58          3HG2      VAL  58  -5.453  -1.168   3.125
  387    H    LYS  59           H        LYS  59  -3.511  -4.631   0.730
  388    HA   LYS  59           HA       LYS  59  -5.198  -5.711  -1.432
  389   1HB   LYS  59          1HB       LYS  59  -2.243  -6.229  -1.291
  390   2HB   LYS  59          2HB       LYS  59  -3.329  -6.284  -2.700
  391   1HG   LYS  59          1HG       LYS  59  -3.323  -3.619  -1.673
  392   2HG   LYS  59          2HG       LYS  59  -1.637  -4.165  -1.834
  393   1HD   LYS  59          1HD       LYS  59  -1.866  -3.528  -3.986
  394   2HD   LYS  59          2HD       LYS  59  -2.722  -5.077  -4.172
  395   1HE   LYS  59          1HE       LYS  59  -4.853  -4.029  -3.957
  396   2HE   LYS  59          2HE       LYS  59  -4.124  -2.504  -3.409
  397   1HZ   LYS  59          1HZ       LYS  59  -3.284  -2.073  -5.551
  398   2HZ   LYS  59          2HZ       LYS  59  -4.883  -2.585  -5.793
  399   3HZ   LYS  59          3HZ       LYS  59  -3.601  -3.649  -6.100
  400    H    CYS  60           H        CYS  60  -4.919  -8.088  -1.727
  401    HA   CYS  60           HA       CYS  60  -4.377  -9.401   0.860
  402   1HB   CYS  60          1HB       CYS  60  -6.626  -9.660  -1.074
  403   2HB   CYS  60          2HB       CYS  60  -6.044 -11.153  -0.319
  404    H    CYS  61           H        CYS  61  -2.653 -10.704   0.764
  405    HA   CYS  61           HA       CYS  61  -2.071 -11.971  -1.825
  406   1HB   CYS  61          1HB       CYS  61  -0.174 -10.557   0.045
  407   2HB   CYS  61          2HB       CYS  61   0.389 -11.727  -1.159
  408    H    LYS  62           H        LYS  62  -1.767 -14.050  -1.795
  409    HA   LYS  62           HA       LYS  62  -1.153 -15.416   0.736
  410   1HB   LYS  62          1HB       LYS  62  -3.164 -16.008  -0.927
  411   2HB   LYS  62          2HB       LYS  62  -1.873 -16.924  -1.741
  412   1HG   LYS  62          1HG       LYS  62  -1.513 -18.291   0.160
  413   2HG   LYS  62          2HG       LYS  62  -2.496 -17.231   1.199
  414   1HD   LYS  62          1HD       LYS  62  -3.747 -19.240   0.622
  415   2HD   LYS  62          2HD       LYS  62  -4.496 -17.811  -0.130
  416   1HE   LYS  62          1HE       LYS  62  -2.883 -18.506  -2.141
  417   2HE   LYS  62          2HE       LYS  62  -3.047 -20.105  -1.382
  418   1HZ   LYS  62          1HZ       LYS  62  -4.768 -19.996  -2.926
  419   2HZ   LYS  62          2HZ       LYS  62  -5.167 -18.393  -2.545
  420   3HZ   LYS  62          3HZ       LYS  62  -5.540 -19.638  -1.457
  421    H    ASP  63           H        ASP  63   0.864 -15.989   0.992
  422    HA   ASP  63           HA       ASP  63   2.567 -17.066  -0.986
  423   1HB   ASP  63          1HB       ASP  63   3.917 -15.303  -1.613
  424   2HB   ASP  63          2HB       ASP  63   2.359 -14.461  -1.461
  425    H    ASP  64           H        ASP  64   4.946 -17.004  -0.071
  426    HA   ASP  64           HA       ASP  64   4.804 -17.110   2.860
  427   1HB   ASP  64          1HB       ASP  64   4.972 -19.364   1.525
  428   2HB   ASP  64          2HB       ASP  64   6.680 -18.904   1.360
  429    H    VAL  65           H        VAL  65   5.851 -15.385   3.511
  430    HA   VAL  65           HA       VAL  65   7.970 -14.149   2.066
  431    HB   VAL  65           HB       VAL  65   7.424 -13.728   4.989
  432   1HG1  VAL  65          1HG1      VAL  65   8.518 -11.989   2.788
  433   2HG1  VAL  65          2HG1      VAL  65   8.094 -11.391   4.394
  434   3HG1  VAL  65          3HG1      VAL  65   9.369 -12.596   4.208
  435   1HG2  VAL  65          1HG2      VAL  65   5.500 -12.610   4.628
  436   2HG2  VAL  65          2HG2      VAL  65   6.050 -11.952   3.086
  437   3HG2  VAL  65          3HG2      VAL  65   5.420 -13.597   3.168
  438    H    THR  66           H        THR  66   9.946 -14.924   1.921
  439    HA   THR  66           HA       THR  66  10.978 -16.627   4.057
  440    HB   THR  66           HB       THR  66  12.820 -16.517   1.915
  441    HG1  THR  66           1HG      THR  66  10.106 -16.883   1.072
  442   1HG2  THR  66          1HG2      THR  66  11.460 -18.888   1.654
  443   2HG2  THR  66          2HG2      THR  66  11.109 -18.431   3.323
  444   3HG2  THR  66          3HG2      THR  66  12.782 -18.595   2.782
  445    H    ASN  67           H        ASN  67  11.644 -15.209   5.593
  446    HA   ASN  67           HA       ASN  67  13.237 -12.903   4.941
  447   1HB   ASN  67          1HB       ASN  67  13.407 -12.665   7.455
  448   2HB   ASN  67          2HB       ASN  67  11.760 -12.629   6.789
  449   1HD2  ASN  67          1HD2      ASN  67  13.528 -13.755   9.272
  450   2HD2  ASN  67          2HD2      ASN  67  12.609 -15.165   9.694
  451    H    THR  68           H        THR  68  15.022 -13.796   3.911
  452    HA   THR  68           HA       THR  68  16.939 -15.078   5.733
  453    HB   THR  68           HB       THR  68  16.255 -16.761   4.165
  454    HG1  THR  68           1HG      THR  68  18.807 -15.633   3.627
  455   1HG2  THR  68          1HG2      THR  68  16.102 -14.576   2.325
  456   2HG2  THR  68          2HG2      THR  68  15.498 -16.223   2.145
  457   3HG2  THR  68          3HG2      THR  68  17.146 -15.830   1.656
  458    H    GLY  69           H        GLY  69  16.943 -12.450   5.778
  459   1HA   GLY  69          1HA       GLY  69  19.102 -11.221   5.712
  460   2HA   GLY  69          2HA       GLY  69  19.189 -11.672   4.017
  461    H    ASN  70           H        ASN  70  16.224 -10.639   5.589
  462    HA   ASN  70           HA       ASN  70  16.461  -8.013   4.332
  463   1HB   ASN  70          1HB       ASN  70  15.189  -9.836   2.905
  464   2HB   ASN  70          2HB       ASN  70  13.862  -9.477   4.030
  465   1HD2  ASN  70          1HD2      ASN  70  15.271  -8.618   1.155
  466   2HD2  ASN  70          2HD2      ASN  70  14.593  -7.043   0.976
  467    H    SER  71           H        SER  71  15.164  -6.408   5.257
  468    HA   SER  71           HA       SER  71  14.332  -7.049   7.988
  469   1HB   SER  71          1HB       SER  71  14.297  -4.230   7.068
  470   2HB   SER  71          2HB       SER  71  14.935  -4.934   8.573
  471    HG   SER  71           HG       SER  71  16.179  -5.192   6.014
  472    H    PHE  72           H        PHE  72  12.983  -6.398   4.920
  473    HA   PHE  72           HA       PHE  72  10.388  -5.813   6.181
  474   1HB   PHE  72          1HB       PHE  72   9.978  -4.173   4.709
  475   2HB   PHE  72          2HB       PHE  72  11.709  -4.244   4.339
  476    HD1  PHE  72           1HD      PHE  72  12.467  -5.622   2.362
  477    HD2  PHE  72           2HD      PHE  72   8.369  -4.731   3.092
  478    HE1  PHE  72           1HE      PHE  72  11.940  -6.142   0.019
  479    HE2  PHE  72           2HE      PHE  72   7.836  -5.257   0.752
  480    HZ   PHE  72           HZ       PHE  72   9.621  -5.961  -0.792
  481    H    LEU  73           H        LEU  73   8.502  -6.731   5.124
  482    HA   LEU  73           HA       LEU  73   9.030  -9.489   4.456
  483   1HB   LEU  73          1HB       LEU  73   6.440  -7.969   4.818
  484   2HB   LEU  73          2HB       LEU  73   6.565  -9.725   4.559
  485    HG   LEU  73           HG       LEU  73   8.233  -9.161   6.745
  486   1HD1  LEU  73          1HD1      LEU  73   7.121  -6.971   6.916
  487   2HD1  LEU  73          2HD1      LEU  73   5.569  -7.793   7.066
  488   3HD1  LEU  73          3HD1      LEU  73   6.800  -8.004   8.309
  489   1HD2  LEU  73          1HD2      LEU  73   7.076 -10.865   7.645
  490   2HD2  LEU  73          2HD2      LEU  73   5.517 -10.102   7.335
  491   3HD2  LEU  73          3HD2      LEU  73   6.343 -10.977   6.047
  492    H    ILE  74           H        ILE  74   9.866  -9.506   2.398
  493    HA   ILE  74           HA       ILE  74   8.595  -8.175   0.213
  494    HB   ILE  74           HB       ILE  74  10.943  -8.576   0.023
  495   1HG1  ILE  74          1HG1      ILE  74  11.016 -10.073  -2.070
  496   2HG1  ILE  74          2HG1      ILE  74   9.258 -10.236  -1.845
  497   1HG2  ILE  74          1HG2      ILE  74  11.420 -11.241  -0.348
  498   2HG2  ILE  74          2HG2      ILE  74  11.744 -10.339   1.133
  499   3HG2  ILE  74          3HG2      ILE  74  10.242 -11.248   0.967
  500   1HD1  ILE  74          1HD1      ILE  74  10.696  -8.149  -3.128
  501   2HD1  ILE  74          2HD1      ILE  74   8.954  -8.314  -2.910
  502   3HD1  ILE  74          3HD1      ILE  74   9.918  -7.473  -1.696
  503    H    ILE  75           H        ILE  75   7.061  -8.905  -1.138
  504    HA   ILE  75           HA       ILE  75   5.727 -11.375  -0.359
  505    HB   ILE  75           HB       ILE  75   4.664  -9.518  -2.456
  506   1HG1  ILE  75          1HG1      ILE  75   4.191  -9.056   0.486
  507   2HG1  ILE  75          2HG1      ILE  75   5.496  -8.230  -0.399
  508   1HG2  ILE  75          1HG2      ILE  75   2.788 -10.693  -2.201
  509   2HG2  ILE  75          2HG2      ILE  75   3.709 -11.808  -1.197
  510   3HG2  ILE  75          3HG2      ILE  75   2.819 -10.482  -0.450
  511   1HD1  ILE  75          1HD1      ILE  75   3.904  -7.167  -1.850
  512   2HD1  ILE  75          2HD1      ILE  75   2.575  -8.094  -1.153
  513   3HD1  ILE  75          3HD1      ILE  75   3.416  -6.890  -0.178
  514    H    ASN  76           H        ASN  76   5.617 -13.142  -1.593
  515    HA   ASN  76           HA       ASN  76   7.322 -13.473  -3.828
  516   1HB   ASN  76          1HB       ASN  76   6.061 -15.187  -2.146
  517   2HB   ASN  76          2HB       ASN  76   5.016 -15.324  -3.577
  518   1HD2  ASN  76          1HD2      ASN  76   6.939 -14.985  -5.585
  519   2HD2  ASN  76          2HD2      ASN  76   8.019 -16.339  -5.560
  520    H    ALA  77           H        ALA  77   4.197 -12.180  -3.519
  521    HA   ALA  77           HA       ALA  77   2.605 -11.455  -4.962
  522   1HB   ALA  77          1HB       ALA  77   5.096 -11.262  -6.614
  523   2HB   ALA  77          2HB       ALA  77   3.526 -10.844  -7.303
  524   3HB   ALA  77          3HB       ALA  77   4.128  -9.974  -5.891
  525    H    ALA  78           H        ALA  78   2.776 -14.231  -4.625
  526    HA   ALA  78           HA       ALA  78   2.470 -15.458  -7.231
  527   1HB   ALA  78          1HB       ALA  78   2.441 -17.520  -6.123
  528   2HB   ALA  78          2HB       ALA  78   3.569 -16.537  -5.189
  529   3HB   ALA  78          3HB       ALA  78   1.927 -16.796  -4.599
  530    H    ASN  79           H        ASN  79   0.435 -15.009  -4.335
  531    HA   ASN  79           HA       ASN  79  -1.926 -15.163  -6.104
  532   1HB   ASN  79          1HB       ASN  79  -1.881 -15.965  -3.185
  533   2HB   ASN  79          2HB       ASN  79  -3.168 -16.252  -4.377
  534   1HD2  ASN  79          1HD2      ASN  79  -0.074 -17.279  -3.176
  535   2HD2  ASN  79          2HD2      ASN  79  -0.018 -18.793  -4.034
  536    H    CYS  80           H        CYS  80  -1.775 -12.803  -6.274
  537    HA   CYS  80           HA       CYS  80  -2.560 -11.482  -3.756
  538   1HB   CYS  80          1HB       CYS  80  -0.879 -10.475  -6.050
  539   2HB   CYS  80          2HB       CYS  80  -1.617  -9.380  -4.870
  540    H    VAL  81           H        VAL  81  -4.413 -10.444  -3.690
  541    HA   VAL  81           HA       VAL  81  -5.826  -9.806  -6.191
  542    HB   VAL  81           HB       VAL  81  -7.944 -10.482  -4.759
  543   1HG1  VAL  81          1HG1      VAL  81  -6.535 -12.835  -5.884
  544   2HG1  VAL  81          2HG1      VAL  81  -8.183 -12.266  -6.146
  545   3HG1  VAL  81          3HG1      VAL  81  -6.835 -11.465  -6.951
  546   1HG2  VAL  81          1HG2      VAL  81  -6.358 -11.121  -2.834
  547   2HG2  VAL  81          2HG2      VAL  81  -7.688 -12.210  -3.228
  548   3HG2  VAL  81          3HG2      VAL  81  -6.053 -12.583  -3.773
  549    H    ALA  82           H        ALA  82  -7.582  -8.242  -5.863
  550    HA   ALA  82           HA       ALA  82  -7.165  -6.561  -3.485
  551   1HB   ALA  82          1HB       ALA  82  -8.004  -5.023  -5.773
  552   2HB   ALA  82          2HB       ALA  82  -6.607  -4.800  -4.720
  553   3HB   ALA  82          3HB       ALA  82  -6.499  -5.881  -6.109
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1  -8.793   6.766   8.671
    2   2H    ALA   1          2H        ALA   1  -8.926   7.588   7.199
    3   3H    ALA   1          3H        ALA   1  -7.624   7.918   8.237
    4    HA   ALA   1           HA       ALA   1  -7.220   6.440   6.212
    5   1HB   ALA   1          1HB       ALA   1  -6.202   6.359   8.920
    6   2HB   ALA   1          2HB       ALA   1  -6.031   4.801   8.111
    7   3HB   ALA   1          3HB       ALA   1  -5.333   6.252   7.388
    8    H    THR   2           H        THR   2  -7.071   4.095   5.710
    9    HA   THR   2           HA       THR   2  -9.628   2.854   6.177
   10    HB   THR   2           HB       THR   2  -7.255   1.636   4.761
   11    HG1  THR   2           1HG      THR   2  -7.762   3.697   3.864
   12   1HG2  THR   2          1HG2      THR   2  -8.860   0.289   3.625
   13   2HG2  THR   2          2HG2      THR   2 -10.204   1.218   4.286
   14   3HG2  THR   2          3HG2      THR   2  -9.235   0.191   5.343
   15    H    THR   3           H        THR   3 -10.066   1.702   7.897
   16    HA   THR   3           HA       THR   3  -7.950   0.461   9.455
   17    HB   THR   3           HB       THR   3 -10.826   0.052  10.127
   18    HG1  THR   3           1HG      THR   3 -10.737   2.261   9.506
   19   1HG2  THR   3          1HG2      THR   3  -9.715  -0.720  11.926
   20   2HG2  THR   3          2HG2      THR   3  -9.499   0.980  12.342
   21   3HG2  THR   3          3HG2      THR   3  -8.228   0.116  11.476
   22    H    ILE   4           H        ILE   4  -7.280  -1.508   8.959
   23    HA   ILE   4           HA       ILE   4  -8.614  -3.135   7.052
   24    HB   ILE   4           HB       ILE   4  -6.341  -3.881   8.897
   25   1HG1  ILE   4          1HG1      ILE   4  -5.764  -3.318   6.074
   26   2HG1  ILE   4          2HG1      ILE   4  -6.351  -1.905   6.984
   27   1HG2  ILE   4          1HG2      ILE   4  -7.256  -5.867   8.012
   28   2HG2  ILE   4          2HG2      ILE   4  -7.443  -5.157   6.409
   29   3HG2  ILE   4          3HG2      ILE   4  -5.832  -5.507   7.038
   30   1HD1  ILE   4          1HD1      ILE   4  -4.470  -1.776   8.243
   31   2HD1  ILE   4          2HD1      ILE   4  -4.224  -3.523   8.258
   32   3HD1  ILE   4          3HD1      ILE   4  -3.768  -2.582   6.838
   33    H    GLY   5           H        GLY   5 -10.446  -4.170   7.501
   34   1HA   GLY   5          1HA       GLY   5 -11.137  -5.052  10.134
   35   2HA   GLY   5          2HA       GLY   5 -12.032  -5.380   8.657
   36    HA   PRO   6           HA       PRO   6  -9.332  -9.048  10.399
   37   1HB   PRO   6          1HB       PRO   6 -11.507 -10.538  11.344
   38   2HB   PRO   6          2HB       PRO   6 -10.421  -9.510  12.335
   39   1HG   PRO   6          1HG       PRO   6 -13.090  -8.849  11.193
   40   2HG   PRO   6          2HG       PRO   6 -12.451  -8.505  12.834
   41   1HD   PRO   6          1HD       PRO   6 -12.558  -6.600  10.943
   42   2HD   PRO   6          2HD       PRO   6 -11.131  -6.729  12.016
   43    H    ASN   7           H        ASN   7 -12.536  -8.941   8.917
   44    HA   ASN   7           HA       ASN   7 -11.701 -11.068   7.067
   45   1HB   ASN   7          1HB       ASN   7 -14.324 -10.868   6.539
   46   2HB   ASN   7          2HB       ASN   7 -13.676 -11.923   7.813
   47   1HD2  ASN   7          1HD2      ASN   7 -15.218 -11.874   9.324
   48   2HD2  ASN   7          2HD2      ASN   7 -15.849 -10.435  10.062
   49    H    THR   8           H        THR   8 -10.433  -9.415   5.979
   50    HA   THR   8           HA       THR   8 -11.714  -7.175   4.741
   51    HB   THR   8           HB       THR   8  -9.197  -8.046   3.535
   52    HG1  THR   8           1HG      THR   8  -9.297  -7.555   6.355
   53   1HG2  THR   8          1HG2      THR   8  -9.727  -5.814   3.198
   54   2HG2  THR   8          2HG2      THR   8  -8.578  -5.728   4.532
   55   3HG2  THR   8          3HG2      THR   8 -10.306  -5.596   4.851
   56    H    CYS   9           H        CYS   9 -10.610 -10.347   3.656
   57    HA   CYS   9           HA       CYS   9 -12.238 -10.013   1.226
   58   1HB   CYS   9          1HB       CYS   9  -9.622 -11.531   1.419
   59   2HB   CYS   9          2HB       CYS   9 -10.603 -11.295  -0.037
   60    H    SER  10           H        SER  10 -13.371 -11.838   0.533
   61    HA   SER  10           HA       SER  10 -13.737 -13.846   2.634
   62   1HB   SER  10          1HB       SER  10 -15.492 -13.305   0.221
   63   2HB   SER  10          2HB       SER  10 -15.896 -14.300   1.640
   64    HG   SER  10           HG       SER  10 -15.558 -11.476   1.494
   65    H    ILE  11           H        ILE  11 -11.618 -14.721   1.847
   66    HA   ILE  11           HA       ILE  11 -12.154 -16.783  -0.171
   67    HB   ILE  11           HB       ILE  11  -9.355 -16.029  -0.202
   68   1HG1  ILE  11          1HG1      ILE  11 -11.052 -13.963  -1.542
   69   2HG1  ILE  11          2HG1      ILE  11 -10.731 -13.791   0.200
   70   1HG2  ILE  11          1HG2      ILE  11 -11.547 -16.590  -2.126
   71   2HG2  ILE  11          2HG2      ILE  11 -10.120 -15.740  -2.721
   72   3HG2  ILE  11          3HG2      ILE  11  -9.952 -17.329  -1.975
   73   1HD1  ILE  11          1HD1      ILE  11  -8.404 -13.608  -0.155
   74   2HD1  ILE  11          2HD1      ILE  11  -8.534 -14.156  -1.826
   75   3HD1  ILE  11          3HD1      ILE  11  -9.162 -12.574  -1.367
   76    H    ASP  12           H        ASP  12  -9.265 -17.566   0.134
   77    HA   ASP  12           HA       ASP  12  -9.616 -19.285   2.420
   78   1HB   ASP  12          1HB       ASP  12  -8.384 -19.670   0.069
   79   2HB   ASP  12          2HB       ASP  12  -6.990 -19.098   1.010
   80    H    ASP  13           H        ASP  13  -7.041 -19.509   3.407
   81    HA   ASP  13           HA       ASP  13  -6.855 -17.349   5.225
   82   1HB   ASP  13          1HB       ASP  13  -5.998 -19.364   6.048
   83   2HB   ASP  13          2HB       ASP  13  -5.102 -19.700   4.550
   84    H    TYR  14           H        TYR  14  -6.579 -15.402   4.319
   85    HA   TYR  14           HA       TYR  14  -4.137 -14.985   2.733
   86   1HB   TYR  14          1HB       TYR  14  -6.947 -14.130   2.222
   87   2HB   TYR  14          2HB       TYR  14  -5.669 -12.958   1.854
   88    HD1  TYR  14           1HD      TYR  14  -4.004 -13.448   0.110
   89    HD2  TYR  14           2HD      TYR  14  -7.207 -16.136   0.897
   90    HE1  TYR  14           1HE      TYR  14  -3.564 -14.584  -2.023
   91    HE2  TYR  14           2HE      TYR  14  -6.783 -17.277  -1.241
   92    HH   TYR  14           HH       TYR  14  -5.684 -17.154  -3.217
   93    H    LYS  15           H        LYS  15  -2.984 -13.128   3.162
   94    HA   LYS  15           HA       LYS  15  -3.744 -11.772   5.645
   95   1HB   LYS  15          1HB       LYS  15  -1.089 -11.530   4.238
   96   2HB   LYS  15          2HB       LYS  15  -1.476 -11.180   5.940
   97   1HG   LYS  15          1HG       LYS  15  -0.989 -13.260   6.550
   98   2HG   LYS  15          2HG       LYS  15  -2.053 -13.941   5.296
   99   1HD   LYS  15          1HD       LYS  15  -0.342 -14.306   3.860
  100   2HD   LYS  15          2HD       LYS  15   0.488 -12.796   4.305
  101   1HE   LYS  15          1HE       LYS  15   1.920 -14.510   5.045
  102   2HE   LYS  15          2HE       LYS  15   1.074 -13.960   6.508
  103   1HZ   LYS  15          1HZ       LYS  15   0.620 -16.113   6.802
  104   2HZ   LYS  15          2HZ       LYS  15   1.009 -16.527   5.203
  105   3HZ   LYS  15          3HZ       LYS  15  -0.535 -15.937   5.572
  106    HA   PRO  16           HA       PRO  16  -4.615  -8.099   3.235
  107   1HB   PRO  16          1HB       PRO  16  -4.994  -6.426   5.384
  108   2HB   PRO  16          2HB       PRO  16  -6.218  -7.602   4.805
  109   1HG   PRO  16          1HG       PRO  16  -4.315  -7.849   7.075
  110   2HG   PRO  16          2HG       PRO  16  -6.050  -8.300   7.004
  111   1HD   PRO  16          1HD       PRO  16  -3.986 -10.095   6.771
  112   2HD   PRO  16          2HD       PRO  16  -5.558 -10.308   5.942
  113    H    TYR  17           H        TYR  17  -3.163  -6.723   2.403
  114    HA   TYR  17           HA       TYR  17  -0.669  -6.295   3.918
  115   1HB   TYR  17          1HB       TYR  17  -1.215  -6.832   1.023
  116   2HB   TYR  17          2HB       TYR  17   0.200  -5.861   1.465
  117    HD1  TYR  17           1HD      TYR  17   2.164  -7.071   1.487
  118    HD2  TYR  17           2HD      TYR  17  -1.410  -8.992   2.748
  119    HE1  TYR  17           1HE      TYR  17   3.431  -9.134   1.912
  120    HE2  TYR  17           2HE      TYR  17  -0.164 -11.059   3.178
  121    HH   TYR  17           HH       TYR  17   3.291 -11.316   2.401
  122    H    CYS  18           H        CYS  18   0.133  -4.290   4.113
  123    HA   CYS  18           HA       CYS  18  -1.506  -2.086   3.109
  124   1HB   CYS  18          1HB       CYS  18  -0.571  -2.334   5.553
  125   2HB   CYS  18          2HB       CYS  18   0.938  -1.745   4.838
  126    H    CYS  19           H        CYS  19  -0.980  -1.317   1.174
  127    HA   CYS  19           HA       CYS  19   1.825  -0.939   0.486
  128   1HB   CYS  19          1HB       CYS  19   0.849  -3.256  -0.294
  129   2HB   CYS  19          2HB       CYS  19   0.068  -2.277  -1.546
  130    H    GLN  20           H        GLN  20   2.110   0.461  -1.371
  131    HA   GLN  20           HA       GLN  20  -0.299   1.805  -2.322
  132   1HB   GLN  20          1HB       GLN  20   0.851   4.035  -2.065
  133   2HB   GLN  20          2HB       GLN  20   0.335   3.262  -0.548
  134   1HG   GLN  20          1HG       GLN  20   2.515   2.750   0.083
  135   2HG   GLN  20          2HG       GLN  20   3.136   2.902  -1.575
  136   1HE2  GLN  20          1HE2      GLN  20   2.600   4.471   1.386
  137   2HE2  GLN  20          2HE2      GLN  20   3.095   6.062   0.916
  138    H    SER  21           H        SER  21  -0.176   1.288  -4.390
  139    HA   SER  21           HA       SER  21   2.323   1.251  -5.828
  140   1HB   SER  21          1HB       SER  21  -0.177   1.188  -7.394
  141   2HB   SER  21          2HB       SER  21   1.193   0.051  -7.387
  142    HG   SER  21           HG       SER  21   0.151  -1.166  -6.008
  143    H    MET  22           H        MET  22   2.762   3.523  -5.253
  144    HA   MET  22           HA       MET  22   1.354   5.401  -7.031
  145   1HB   MET  22          1HB       MET  22   1.616   5.517  -4.261
  146   2HB   MET  22          2HB       MET  22   2.851   6.647  -4.865
  147   1HG   MET  22          1HG       MET  22   1.146   7.833  -6.158
  148   2HG   MET  22          2HG       MET  22  -0.089   6.695  -5.595
  149   1HE   MET  22          1HE       MET  22  -0.083  10.511  -4.019
  150   2HE   MET  22          2HE       MET  22   0.195   9.810  -5.613
  151   3HE   MET  22          3HE       MET  22  -1.294   9.451  -4.739
  152    H    SER  23           H        SER  23   2.581   6.963  -8.097
  153    HA   SER  23           HA       SER  23   5.244   6.129  -8.775
  154   1HB   SER  23          1HB       SER  23   4.483   8.705  -9.852
  155   2HB   SER  23          2HB       SER  23   4.748   7.165 -10.704
  156    HG   SER  23           HG       SER  23   2.575   7.962 -10.914
  157    H    GLY  24           H        GLY  24   6.881   8.077  -9.069
  158   1HA   GLY  24          1HA       GLY  24   7.041   9.360  -6.416
  159   2HA   GLY  24          2HA       GLY  24   8.429   8.893  -7.386
  160    HA   PRO  25           HA       PRO  25   8.265  13.151  -8.630
  161   1HB   PRO  25          1HB       PRO  25  10.679  13.288  -9.812
  162   2HB   PRO  25          2HB       PRO  25  10.501  13.005  -8.049
  163   1HG   PRO  25          1HG       PRO  25  11.097  11.051 -10.207
  164   2HG   PRO  25          2HG       PRO  25  11.811  11.173  -8.566
  165   1HD   PRO  25          1HD       PRO  25   9.748   9.437  -9.371
  166   2HD   PRO  25          2HD       PRO  25  10.112   9.904  -7.682
  167    H    ALA  26           H        ALA  26   6.486  12.041 -10.163
  168    HA   ALA  26           HA       ALA  26   7.353  12.006 -12.943
  169   1HB   ALA  26          1HB       ALA  26   4.532  11.889 -12.768
  170   2HB   ALA  26          2HB       ALA  26   5.660  10.592 -13.164
  171   3HB   ALA  26          3HB       ALA  26   5.189  10.868 -11.488
  172    H    GLY  27           H        GLY  27   7.994  14.157 -13.193
  173   1HA   GLY  27          1HA       GLY  27   6.322  15.915 -14.388
  174   2HA   GLY  27          2HA       GLY  27   6.142  16.309 -12.683
  175    H    SER  28           H        SER  28   7.805  17.315 -11.595
  176    HA   SER  28           HA       SER  28   9.568  18.902 -13.118
  177   1HB   SER  28          1HB       SER  28  10.116  18.426 -10.222
  178   2HB   SER  28          2HB       SER  28  10.037  19.955 -11.130
  179    HG   SER  28           HG       SER  28   8.225  19.815  -9.796
  180    HA   PRO  29           HA       PRO  29  12.969  16.172 -13.760
  181   1HB   PRO  29          1HB       PRO  29  15.004  18.013 -13.982
  182   2HB   PRO  29          2HB       PRO  29  13.764  17.715 -15.244
  183   1HG   PRO  29          1HG       PRO  29  13.830  19.856 -13.168
  184   2HG   PRO  29          2HG       PRO  29  13.488  20.008 -14.922
  185   1HD   PRO  29          1HD       PRO  29  11.520  19.958 -13.059
  186   2HD   PRO  29          2HD       PRO  29  11.319  19.149 -14.643
  187    H    GLY  30           H        GLY  30  13.827  14.920 -12.257
  188   1HA   GLY  30          1HA       GLY  30  14.712  15.981  -9.710
  189   2HA   GLY  30          2HA       GLY  30  14.723  14.292 -10.202
  190    H    LEU  31           H        LEU  31  16.072  15.904 -12.669
  191    HA   LEU  31           HA       LEU  31  18.152  16.206 -13.491
  192   1HB   LEU  31          1HB       LEU  31  18.746  16.799 -10.589
  193   2HB   LEU  31          2HB       LEU  31  19.908  17.045 -11.915
  194    HG   LEU  31           HG       LEU  31  17.230  18.336 -12.134
  195   1HD1  LEU  31          1HD1      LEU  31  19.209  19.985 -10.768
  196   2HD1  LEU  31          2HD1      LEU  31  17.478  19.814 -10.479
  197   3HD1  LEU  31          3HD1      LEU  31  18.607  18.646  -9.791
  198   1HD2  LEU  31          1HD2      LEU  31  18.510  18.769 -13.989
  199   2HD2  LEU  31          2HD2      LEU  31  18.896  20.160 -12.977
  200   3HD2  LEU  31          3HD2      LEU  31  20.021  18.803 -13.078
  201    H    LEU  32           H        LEU  32  17.500  13.655 -13.292
  202    HA   LEU  32           HA       LEU  32  18.377  11.599 -13.551
  203   1HB   LEU  32          1HB       LEU  32  20.524  13.309 -14.018
  204   2HB   LEU  32          2HB       LEU  32  21.151  12.113 -12.858
  205    HG   LEU  32           HG       LEU  32  19.835  10.556 -14.731
  206   1HD1  LEU  32          1HD1      LEU  32  19.507  12.331 -16.281
  207   2HD1  LEU  32          2HD1      LEU  32  21.177  12.875 -16.101
  208   3HD1  LEU  32          3HD1      LEU  32  20.831  11.335 -16.890
  209   1HD2  LEU  32          1HD2      LEU  32  21.945  10.008 -13.710
  210   2HD2  LEU  32          2HD2      LEU  32  22.127   9.973 -15.465
  211   3HD2  LEU  32          3HD2      LEU  32  22.736  11.348 -14.542
  212    H    ASN  33           H        ASN  33  20.026  10.016 -12.372
  213    HA   ASN  33           HA       ASN  33  19.918  10.368  -9.478
  214   1HB   ASN  33          1HB       ASN  33  17.929   8.969 -10.661
  215   2HB   ASN  33          2HB       ASN  33  19.146   7.682 -10.520
  216   1HD2  ASN  33          1HD2      ASN  33  16.589   9.090  -9.024
  217   2HD2  ASN  33          2HD2      ASN  33  16.926   8.633  -7.383
  218    H    LEU  34           H        LEU  34  20.945   8.018  -8.646
  219    HA   LEU  34           HA       LEU  34  23.559   7.951  -9.892
  220   1HB   LEU  34          1HB       LEU  34  23.833   6.059  -8.063
  221   2HB   LEU  34          2HB       LEU  34  23.887   7.786  -7.635
  222    HG   LEU  34           HG       LEU  34  21.181   6.770  -7.500
  223   1HD1  LEU  34          1HD1      LEU  34  21.373   4.842  -6.425
  224   2HD1  LEU  34          2HD1      LEU  34  23.106   4.873  -6.749
  225   3HD1  LEU  34          3HD1      LEU  34  22.476   5.558  -5.250
  226   1HD2  LEU  34          1HD2      LEU  34  21.643   7.538  -5.053
  227   2HD2  LEU  34          2HD2      LEU  34  23.137   8.179  -5.739
  228   3HD2  LEU  34          3HD2      LEU  34  21.576   8.729  -6.353
  229    H    ILE  35           H        ILE  35  21.726   5.158  -8.726
  230    HA   ILE  35           HA       ILE  35  21.880   3.997 -11.422
  231    HB   ILE  35           HB       ILE  35  22.359   2.481  -8.845
  232   1HG1  ILE  35          1HG1      ILE  35  24.315   3.035 -11.087
  233   2HG1  ILE  35          2HG1      ILE  35  24.217   4.017  -9.605
  234   1HG2  ILE  35          1HG2      ILE  35  21.203   1.310 -10.815
  235   2HG2  ILE  35          2HG2      ILE  35  22.759   1.436 -11.632
  236   3HG2  ILE  35          3HG2      ILE  35  22.627   0.536 -10.121
  237   1HD1  ILE  35          1HD1      ILE  35  24.830   2.118  -8.255
  238   2HD1  ILE  35          2HD1      ILE  35  24.773   1.048  -9.656
  239   3HD1  ILE  35          3HD1      ILE  35  26.013   2.300  -9.554
  240    HA   PRO  36           HA       PRO  36  17.493   3.778 -10.446
  241   1HB   PRO  36          1HB       PRO  36  17.258   2.748 -13.211
  242   2HB   PRO  36          2HB       PRO  36  16.603   4.244 -12.467
  243   1HG   PRO  36          1HG       PRO  36  18.595   4.254 -14.275
  244   2HG   PRO  36          2HG       PRO  36  18.412   5.513 -13.010
  245   1HD   PRO  36          1HD       PRO  36  20.279   3.144 -13.172
  246   2HD   PRO  36          2HD       PRO  36  20.568   4.785 -12.519
  247    H    VAL  37           H        VAL  37  16.679   2.127  -9.355
  248    HA   VAL  37           HA       VAL  37  17.355  -0.612 -10.187
  249    HB   VAL  37           HB       VAL  37  16.007   0.139  -7.596
  250   1HG1  VAL  37          1HG1      VAL  37  16.647  -2.300  -8.811
  251   2HG1  VAL  37          2HG1      VAL  37  17.821  -2.091  -7.510
  252   3HG1  VAL  37          3HG1      VAL  37  16.094  -2.035  -7.156
  253   1HG2  VAL  37          1HG2      VAL  37  17.886   1.300  -7.125
  254   2HG2  VAL  37          2HG2      VAL  37  18.546  -0.306  -6.819
  255   3HG2  VAL  37          3HG2      VAL  37  18.835   0.484  -8.369
  256    H    ASP  38           H        ASP  38  15.884  -1.593 -11.387
  257    HA   ASP  38           HA       ASP  38  13.205  -0.494 -11.595
  258   1HB   ASP  38          1HB       ASP  38  15.006  -1.898 -13.299
  259   2HB   ASP  38          2HB       ASP  38  13.529  -2.873 -13.148
  260    H    LEU  39           H        LEU  39  13.857  -1.786  -9.116
  261    HA   LEU  39           HA       LEU  39  12.821  -4.471  -9.160
  262   1HB   LEU  39          1HB       LEU  39  14.537  -3.091  -7.521
  263   2HB   LEU  39          2HB       LEU  39  13.051  -3.168  -6.545
  264    HG   LEU  39           HG       LEU  39  13.613  -5.750  -7.691
  265   1HD1  LEU  39          1HD1      LEU  39  15.953  -4.692  -7.612
  266   2HD1  LEU  39          2HD1      LEU  39  15.791  -4.827  -5.859
  267   3HD1  LEU  39          3HD1      LEU  39  15.717  -6.273  -6.866
  268   1HD2  LEU  39          1HD2      LEU  39  13.083  -6.477  -5.593
  269   2HD2  LEU  39          2HD2      LEU  39  13.908  -5.136  -4.797
  270   3HD2  LEU  39          3HD2      LEU  39  12.335  -4.880  -5.555
  271    H    SER  40           H        SER  40  11.364  -1.483  -9.174
  272    HA   SER  40           HA       SER  40   9.195  -2.058  -7.376
  273   1HB   SER  40          1HB       SER  40   9.069   0.065  -9.505
  274   2HB   SER  40          2HB       SER  40   8.401   0.083  -7.855
  275    HG   SER  40           HG       SER  40  10.956   0.716  -8.768
  276    H    ALA  41           H        ALA  41   9.938  -3.595 -10.019
  277    HA   ALA  41           HA       ALA  41   7.441  -3.589 -11.440
  278   1HB   ALA  41          1HB       ALA  41   9.009  -4.272 -12.915
  279   2HB   ALA  41          2HB       ALA  41  10.031  -4.984 -11.667
  280   3HB   ALA  41          3HB       ALA  41   8.622  -5.862 -12.261
  281    H    SER  42           H        SER  42   8.764  -5.173  -8.688
  282    HA   SER  42           HA       SER  42   6.511  -7.059  -8.644
  283   1HB   SER  42          1HB       SER  42   8.946  -7.203  -6.859
  284   2HB   SER  42          2HB       SER  42   7.782  -8.492  -7.251
  285    HG   SER  42           HG       SER  42   8.925  -7.493  -9.499
  286    H    LEU  43           H        LEU  43   6.510  -7.588  -5.887
  287    HA   LEU  43           HA       LEU  43   5.390  -5.040  -4.935
  288   1HB   LEU  43          1HB       LEU  43   4.449  -7.821  -4.901
  289   2HB   LEU  43          2HB       LEU  43   4.280  -6.978  -3.342
  290    HG   LEU  43           HG       LEU  43   2.236  -6.850  -4.688
  291   1HD1  LEU  43          1HD1      LEU  43   1.819  -4.869  -3.789
  292   2HD1  LEU  43          2HD1      LEU  43   3.537  -4.756  -3.400
  293   3HD1  LEU  43          3HD1      LEU  43   2.925  -4.061  -4.901
  294   1HD2  LEU  43          1HD2      LEU  43   3.007  -4.940  -6.647
  295   2HD2  LEU  43          2HD2      LEU  43   4.040  -6.362  -6.812
  296   3HD2  LEU  43          3HD2      LEU  43   2.286  -6.534  -6.878
  297    H    GLY  44           H        GLY  44   6.296  -4.117  -3.204
  298   1HA   GLY  44          1HA       GLY  44   7.881  -5.839  -1.398
  299   2HA   GLY  44          2HA       GLY  44   8.460  -4.267  -1.931
  300    H    CYS  45           H        CYS  45   5.640  -5.743  -0.347
  301    HA   CYS  45           HA       CYS  45   5.615  -3.478   1.496
  302   1HB   CYS  45          1HB       CYS  45   3.279  -4.529  -0.095
  303   2HB   CYS  45          2HB       CYS  45   3.074  -3.548   1.365
  304    H    VAL  46           H        VAL  46   3.893  -3.981   3.315
  305    HA   VAL  46           HA       VAL  46   4.607  -6.687   4.238
  306    HB   VAL  46           HB       VAL  46   5.791  -4.594   5.241
  307   1HG1  VAL  46          1HG1      VAL  46   3.192  -3.850   5.801
  308   2HG1  VAL  46          2HG1      VAL  46   3.806  -4.435   7.348
  309   3HG1  VAL  46          3HG1      VAL  46   4.656  -3.149   6.491
  310   1HG2  VAL  46          1HG2      VAL  46   4.587  -6.778   6.925
  311   2HG2  VAL  46          2HG2      VAL  46   6.158  -6.776   6.125
  312   3HG2  VAL  46          3HG2      VAL  46   5.858  -5.688   7.480
  313    H    VAL  47           H        VAL  47   3.240  -7.450   6.093
  314    HA   VAL  47           HA       VAL  47   0.504  -7.444   5.334
  315    HB   VAL  47           HB       VAL  47   1.693  -8.472   7.921
  316   1HG1  VAL  47          1HG1      VAL  47  -0.414 -10.100   7.013
  317   2HG1  VAL  47          2HG1      VAL  47  -0.386  -9.045   8.426
  318   3HG1  VAL  47          3HG1      VAL  47  -0.971  -8.432   6.878
  319   1HG2  VAL  47          1HG2      VAL  47   1.571 -10.699   6.596
  320   2HG2  VAL  47          2HG2      VAL  47   1.625  -9.655   5.175
  321   3HG2  VAL  47          3HG2      VAL  47   2.943  -9.618   6.349
  322    H    GLY  48           H        GLY  48  -1.200  -6.365   6.145
  323   1HA   GLY  48          1HA       GLY  48  -0.647  -4.224   8.073
  324   2HA   GLY  48          2HA       GLY  48  -2.061  -4.347   7.032
  325    H    VAL  49           H        VAL  49  -1.449  -4.212  10.086
  326    HA   VAL  49           HA       VAL  49  -2.526  -6.635  11.135
  327    HB   VAL  49           HB       VAL  49  -2.854  -4.791  13.152
  328   1HG1  VAL  49          1HG1      VAL  49  -1.450  -6.186  14.171
  329   2HG1  VAL  49          2HG1      VAL  49  -1.348  -7.047  12.635
  330   3HG1  VAL  49          3HG1      VAL  49  -0.145  -5.824  13.044
  331   1HG2  VAL  49          1HG2      VAL  49  -0.458  -3.683  12.977
  332   2HG2  VAL  49          2HG2      VAL  49  -0.787  -3.802  11.248
  333   3HG2  VAL  49          3HG2      VAL  49  -1.885  -2.902  12.295
  334    H    ILE  50           H        ILE  50  -4.558  -7.136  11.741
  335    HA   ILE  50           HA       ILE  50  -6.699  -5.600  10.622
  336    HB   ILE  50           HB       ILE  50  -8.189  -7.299  11.639
  337   1HG1  ILE  50          1HG1      ILE  50  -6.170  -9.211  12.381
  338   2HG1  ILE  50          2HG1      ILE  50  -5.967  -7.723  13.337
  339   1HG2  ILE  50          1HG2      ILE  50  -5.846  -8.159   9.982
  340   2HG2  ILE  50          2HG2      ILE  50  -7.144  -9.281  10.395
  341   3HG2  ILE  50          3HG2      ILE  50  -7.502  -7.819   9.476
  342   1HD1  ILE  50          1HD1      ILE  50  -8.004  -9.795  13.513
  343   2HD1  ILE  50          2HD1      ILE  50  -7.519  -8.574  14.690
  344   3HD1  ILE  50          3HD1      ILE  50  -8.685  -8.170  13.431
  345    H    GLY  51           H        GLY  51  -8.392  -4.569  11.708
  346   1HA   GLY  51          1HA       GLY  51  -9.370  -3.325  13.394
  347   2HA   GLY  51          2HA       GLY  51  -8.374  -4.200  14.551
  348    H    SER  52           H        SER  52  -6.598  -2.852  12.015
  349    HA   SER  52           HA       SER  52  -5.907  -0.511  13.648
  350   1HB   SER  52          1HB       SER  52  -3.771  -1.840  12.037
  351   2HB   SER  52          2HB       SER  52  -3.651  -0.958  13.579
  352    HG   SER  52           HG       SER  52  -5.067  -3.390  13.506
  353    H    GLN  53           H        GLN  53  -5.079   1.293  12.470
  354    HA   GLN  53           HA       GLN  53  -6.327   1.502   9.853
  355   1HB   GLN  53          1HB       GLN  53  -4.868   3.717  11.279
  356   2HB   GLN  53          2HB       GLN  53  -6.179   3.836  10.081
  357   1HG   GLN  53          1HG       GLN  53  -7.815   3.212  11.639
  358   2HG   GLN  53          2HG       GLN  53  -6.611   2.575  12.781
  359   1HE2  GLN  53          1HE2      GLN  53  -4.915   4.367  13.360
  360   2HE2  GLN  53          2HE2      GLN  53  -5.621   5.867  13.864
  361    H    CYS  54           H        CYS  54  -5.293   2.033   7.975
  362    HA   CYS  54           HA       CYS  54  -2.377   2.313   8.026
  363   1HB   CYS  54          1HB       CYS  54  -3.668  -0.034   7.233
  364   2HB   CYS  54          2HB       CYS  54  -3.299   0.798   5.713
  365    H    GLY  55           H        GLY  55  -1.769   4.043   6.872
  366   1HA   GLY  55          1HA       GLY  55  -3.757   5.461   5.319
  367   2HA   GLY  55          2HA       GLY  55  -2.140   6.023   5.710
  368    H    ALA  56           H        ALA  56  -3.454   3.232   3.956
  369    HA   ALA  56           HA       ALA  56  -2.368   4.132   1.455
  370   1HB   ALA  56          1HB       ALA  56  -0.309   3.277   2.104
  371   2HB   ALA  56          2HB       ALA  56  -1.031   1.949   3.012
  372   3HB   ALA  56          3HB       ALA  56  -1.029   1.912   1.248
  373    H    SER  57           H        SER  57  -2.355   1.658   0.139
  374    HA   SER  57           HA       SER  57  -5.194   1.005   0.210
  375   1HB   SER  57          1HB       SER  57  -3.478  -0.387  -1.750
  376   2HB   SER  57          2HB       SER  57  -4.991   0.517  -2.000
  377    HG   SER  57           HG       SER  57  -3.718   2.456  -1.783
  378    H    VAL  58           H        VAL  58  -5.956  -1.134   0.463
  379    HA   VAL  58           HA       VAL  58  -4.046  -2.902   1.843
  380    HB   VAL  58           HB       VAL  58  -7.039  -3.017   2.167
  381   1HG1  VAL  58          1HG1      VAL  58  -6.514  -4.874   3.274
  382   2HG1  VAL  58          2HG1      VAL  58  -4.787  -4.534   3.145
  383   3HG1  VAL  58          3HG1      VAL  58  -5.725  -3.855   4.477
  384   1HG2  VAL  58          1HG2      VAL  58  -5.662  -1.887   4.436
  385   2HG2  VAL  58          2HG2      VAL  58  -5.426  -0.896   2.997
  386   3HG2  VAL  58          3HG2      VAL  58  -7.058  -1.273   3.551
  387    H    LYS  59           H        LYS  59  -3.512  -4.664   0.810
  388    HA   LYS  59           HA       LYS  59  -5.338  -5.737  -1.242
  389   1HB   LYS  59          1HB       LYS  59  -2.480  -6.605  -1.035
  390   2HB   LYS  59          2HB       LYS  59  -3.525  -6.476  -2.470
  391   1HG   LYS  59          1HG       LYS  59  -3.279  -3.853  -1.594
  392   2HG   LYS  59          2HG       LYS  59  -1.662  -4.547  -1.325
  393   1HD   LYS  59          1HD       LYS  59  -1.537  -3.777  -3.521
  394   2HD   LYS  59          2HD       LYS  59  -1.929  -5.501  -3.726
  395   1HE   LYS  59          1HE       LYS  59  -4.425  -4.395  -3.552
  396   2HE   LYS  59          2HE       LYS  59  -3.523  -3.094  -4.358
  397   1HZ   LYS  59          1HZ       LYS  59  -4.540  -5.420  -5.493
  398   2HZ   LYS  59          2HZ       LYS  59  -2.849  -5.585  -5.521
  399   3HZ   LYS  59          3HZ       LYS  59  -3.579  -4.237  -6.241
  400    H    CYS  60           H        CYS  60  -5.158  -8.171  -1.489
  401    HA   CYS  60           HA       CYS  60  -4.761  -9.456   1.139
  402   1HB   CYS  60          1HB       CYS  60  -6.911  -9.779  -0.923
  403   2HB   CYS  60          2HB       CYS  60  -6.404 -11.211  -0.012
  404    H    CYS  61           H        CYS  61  -2.875 -10.514   1.031
  405    HA   CYS  61           HA       CYS  61  -2.270 -11.917  -1.480
  406   1HB   CYS  61          1HB       CYS  61  -0.472 -10.085   0.099
  407   2HB   CYS  61          2HB       CYS  61   0.161 -11.272  -1.052
  408    H    LYS  62           H        LYS  62  -1.476 -13.875  -1.320
  409    HA   LYS  62           HA       LYS  62  -0.334 -14.763   1.241
  410   1HB   LYS  62          1HB       LYS  62  -2.399 -15.984   0.813
  411   2HB   LYS  62          2HB       LYS  62  -1.860 -16.364  -0.840
  412   1HG   LYS  62          1HG       LYS  62  -1.144 -18.302   0.003
  413   2HG   LYS  62          2HG       LYS  62   0.183 -17.363   0.727
  414   1HD   LYS  62          1HD       LYS  62  -0.864 -17.258   2.814
  415   2HD   LYS  62          2HD       LYS  62  -2.465 -17.641   2.136
  416   1HE   LYS  62          1HE       LYS  62  -1.117 -19.871   1.433
  417   2HE   LYS  62          2HE       LYS  62  -0.231 -19.434   2.911
  418   1HZ   LYS  62          1HZ       LYS  62  -2.585 -19.204   3.916
  419   2HZ   LYS  62          2HZ       LYS  62  -1.933 -20.749   3.694
  420   3HZ   LYS  62          3HZ       LYS  62  -3.084 -20.155   2.597
  421    H    ASP  63           H        ASP  63   1.780 -15.133   1.078
  422    HA   ASP  63           HA       ASP  63   2.865 -15.976  -1.501
  423   1HB   ASP  63          1HB       ASP  63   3.031 -13.378  -0.835
  424   2HB   ASP  63          2HB       ASP  63   4.477 -13.981   0.003
  425    H    ASP  64           H        ASP  64   5.300 -16.440  -1.225
  426    HA   ASP  64           HA       ASP  64   5.447 -18.298   1.045
  427   1HB   ASP  64          1HB       ASP  64   5.696 -18.823  -1.601
  428   2HB   ASP  64          2HB       ASP  64   7.394 -18.509  -1.182
  429    H    VAL  65           H        VAL  65   6.018 -16.108   2.137
  430    HA   VAL  65           HA       VAL  65   8.836 -15.443   1.823
  431    HB   VAL  65           HB       VAL  65   7.314 -14.233   4.054
  432   1HG1  VAL  65          1HG1      VAL  65   8.607 -12.487   2.126
  433   2HG1  VAL  65          2HG1      VAL  65   8.880 -12.660   3.859
  434   3HG1  VAL  65          3HG1      VAL  65   9.686 -13.747   2.727
  435   1HG2  VAL  65          1HG2      VAL  65   5.585 -13.446   2.895
  436   2HG2  VAL  65          2HG2      VAL  65   6.685 -12.707   1.731
  437   3HG2  VAL  65          3HG2      VAL  65   6.120 -14.360   1.486
  438    H    THR  66           H        THR  66  10.179 -16.838   2.729
  439    HA   THR  66           HA       THR  66   9.481 -18.123   5.250
  440    HB   THR  66           HB       THR  66  11.986 -19.034   4.487
  441    HG1  THR  66           1HG      THR  66  11.806 -19.397   2.257
  442   1HG2  THR  66          1HG2      THR  66  10.832 -21.075   3.946
  443   2HG2  THR  66          2HG2      THR  66   9.323 -20.203   3.675
  444   3HG2  THR  66          3HG2      THR  66   9.998 -20.312   5.301
  445    H    ASN  67           H        ASN  67  11.396 -18.419   6.781
  446    HA   ASN  67           HA       ASN  67  12.430 -15.773   7.407
  447   1HB   ASN  67          1HB       ASN  67  11.580 -17.997   8.914
  448   2HB   ASN  67          2HB       ASN  67  13.328 -17.858   9.203
  449   1HD2  ASN  67          1HD2      ASN  67  11.665 -17.472  11.276
  450   2HD2  ASN  67          2HD2      ASN  67  11.629 -15.795  11.726
  451    H    THR  68           H        THR  68  13.591 -16.541   5.144
  452    HA   THR  68           HA       THR  68  16.005 -18.038   5.527
  453    HB   THR  68           HB       THR  68  16.106 -16.509   3.125
  454    HG1  THR  68           1HG      THR  68  13.995 -17.347   2.292
  455   1HG2  THR  68          1HG2      THR  68  16.472 -19.121   3.966
  456   2HG2  THR  68          2HG2      THR  68  16.636 -18.526   2.315
  457   3HG2  THR  68          3HG2      THR  68  15.111 -19.228   2.851
  458    H    GLY  69           H        GLY  69  15.099 -14.861   6.094
  459   1HA   GLY  69          1HA       GLY  69  16.831 -13.566   7.340
  460   2HA   GLY  69          2HA       GLY  69  17.905 -13.945   5.997
  461    H    ASN  70           H        ASN  70  15.330 -11.945   7.131
  462    HA   ASN  70           HA       ASN  70  15.775 -10.099   4.954
  463   1HB   ASN  70          1HB       ASN  70  13.290  -9.920   4.478
  464   2HB   ASN  70          2HB       ASN  70  14.097 -11.379   3.865
  465   1HD2  ASN  70          1HD2      ASN  70  13.075 -13.208   4.223
  466   2HD2  ASN  70          2HD2      ASN  70  11.926 -13.518   5.473
  467    H    SER  71           H        SER  71  15.005  -8.007   5.377
  468    HA   SER  71           HA       SER  71  14.649  -7.338   8.147
  469   1HB   SER  71          1HB       SER  71  14.013  -5.151   6.378
  470   2HB   SER  71          2HB       SER  71  15.444  -5.361   7.416
  471    HG   SER  71           HG       SER  71  16.401  -6.587   5.733
  472    H    PHE  72           H        PHE  72  12.670  -7.207   5.215
  473    HA   PHE  72           HA       PHE  72  10.282  -7.486   6.877
  474   1HB   PHE  72          1HB       PHE  72   9.127  -5.729   5.933
  475   2HB   PHE  72          2HB       PHE  72  10.768  -5.062   5.962
  476    HD1  PHE  72           1HD      PHE  72   7.926  -5.508   3.998
  477    HD2  PHE  72           2HD      PHE  72  12.175  -5.602   3.745
  478    HE1  PHE  72           1HE      PHE  72   7.787  -5.106   1.579
  479    HE2  PHE  72           2HE      PHE  72  12.043  -5.201   1.322
  480    HZ   PHE  72           HZ       PHE  72   9.845  -4.952   0.235
  481    H    LEU  73           H        LEU  73   8.396  -8.251   5.513
  482    HA   LEU  73           HA       LEU  73   9.357 -10.450   3.923
  483   1HB   LEU  73          1HB       LEU  73   6.791 -10.861   3.726
  484   2HB   LEU  73          2HB       LEU  73   7.631 -11.151   5.268
  485    HG   LEU  73           HG       LEU  73   6.762  -8.474   5.345
  486   1HD1  LEU  73          1HD1      LEU  73   4.274  -9.944   4.935
  487   2HD1  LEU  73          2HD1      LEU  73   4.724  -8.312   4.441
  488   3HD1  LEU  73          3HD1      LEU  73   5.209  -9.697   3.462
  489   1HD2  LEU  73          1HD2      LEU  73   5.572 -10.935   6.619
  490   2HD2  LEU  73          2HD2      LEU  73   6.967 -10.042   7.225
  491   3HD2  LEU  73          3HD2      LEU  73   5.380  -9.273   7.177
  492    H    ILE  74           H        ILE  74   9.614 -10.417   1.812
  493    HA   ILE  74           HA       ILE  74   8.435  -8.271   0.246
  494    HB   ILE  74           HB       ILE  74  10.868  -8.965   0.013
  495   1HG1  ILE  74          1HG1      ILE  74  10.100  -9.248  -2.721
  496   2HG1  ILE  74          2HG1      ILE  74   8.938  -8.161  -1.924
  497   1HG2  ILE  74          1HG2      ILE  74   9.544 -11.408  -1.073
  498   2HG2  ILE  74          2HG2      ILE  74  11.075 -10.873  -1.767
  499   3HG2  ILE  74          3HG2      ILE  74  10.971 -11.259  -0.048
  500   1HD1  ILE  74          1HD1      ILE  74  11.907  -7.836  -2.241
  501   2HD1  ILE  74          2HD1      ILE  74  10.613  -6.741  -2.731
  502   3HD1  ILE  74          3HD1      ILE  74  11.003  -6.937  -1.023
  503    H    ILE  75           H        ILE  75   7.076  -8.628  -1.544
  504    HA   ILE  75           HA       ILE  75   5.655 -11.197  -1.415
  505    HB   ILE  75           HB       ILE  75   4.107  -9.244  -2.808
  506   1HG1  ILE  75          1HG1      ILE  75   4.915  -8.374  -0.018
  507   2HG1  ILE  75          2HG1      ILE  75   5.503  -7.612  -1.516
  508   1HG2  ILE  75          1HG2      ILE  75   2.481 -10.273  -1.672
  509   2HG2  ILE  75          2HG2      ILE  75   3.742 -11.326  -1.034
  510   3HG2  ILE  75          3HG2      ILE  75   3.228  -9.908  -0.117
  511   1HD1  ILE  75          1HD1      ILE  75   2.938  -7.346  -2.009
  512   2HD1  ILE  75          2HD1      ILE  75   2.799  -7.505  -0.257
  513   3HD1  ILE  75          3HD1      ILE  75   3.775  -6.209  -0.949
  514    H    ASN  76           H        ASN  76   5.737 -12.472  -3.109
  515    HA   ASN  76           HA       ASN  76   7.066 -11.580  -5.523
  516   1HB   ASN  76          1HB       ASN  76   5.970 -14.274  -4.668
  517   2HB   ASN  76          2HB       ASN  76   6.798 -13.983  -6.213
  518   1HD2  ASN  76          1HD2      ASN  76   7.140 -14.642  -2.900
  519   2HD2  ASN  76          2HD2      ASN  76   8.876 -14.563  -2.820
  520    H    ALA  77           H        ALA  77   4.017 -11.430  -4.385
  521    HA   ALA  77           HA       ALA  77   1.938 -11.162  -5.240
  522   1HB   ALA  77          1HB       ALA  77   3.127  -9.596  -6.791
  523   2HB   ALA  77          2HB       ALA  77   3.249 -10.920  -7.948
  524   3HB   ALA  77          3HB       ALA  77   1.664 -10.315  -7.465
  525    H    ALA  78           H        ALA  78   3.122 -13.726  -4.903
  526    HA   ALA  78           HA       ALA  78   2.543 -15.482  -7.031
  527   1HB   ALA  78          1HB       ALA  78   3.642 -15.690  -4.481
  528   2HB   ALA  78          2HB       ALA  78   2.211 -16.726  -4.448
  529   3HB   ALA  78          3HB       ALA  78   3.458 -16.979  -5.668
  530    H    ASN  79           H        ASN  79   0.714 -14.812  -4.050
  531    HA   ASN  79           HA       ASN  79  -1.755 -15.404  -5.548
  532   1HB   ASN  79          1HB       ASN  79  -1.365 -15.940  -2.589
  533   2HB   ASN  79          2HB       ASN  79  -2.736 -16.426  -3.609
  534   1HD2  ASN  79          1HD2      ASN  79   0.724 -16.954  -3.056
  535   2HD2  ASN  79          2HD2      ASN  79   0.746 -18.579  -3.660
  536    H    CYS  80           H        CYS  80  -1.748 -13.071  -5.938
  537    HA   CYS  80           HA       CYS  80  -2.488 -11.526  -3.540
  538   1HB   CYS  80          1HB       CYS  80  -0.831 -10.823  -5.932
  539   2HB   CYS  80          2HB       CYS  80  -1.777  -9.547  -5.147
  540    H    VAL  81           H        VAL  81  -4.413 -10.622  -3.488
  541    HA   VAL  81           HA       VAL  81  -5.883 -10.188  -5.990
  542    HB   VAL  81           HB       VAL  81  -7.923 -10.794  -4.286
  543   1HG1  VAL  81          1HG1      VAL  81  -6.463 -12.384  -6.351
  544   2HG1  VAL  81          2HG1      VAL  81  -7.823 -13.099  -5.483
  545   3HG1  VAL  81          3HG1      VAL  81  -8.056 -11.631  -6.430
  546   1HG2  VAL  81          1HG2      VAL  81  -7.418 -12.276  -2.696
  547   2HG2  VAL  81          2HG2      VAL  81  -6.386 -13.211  -3.778
  548   3HG2  VAL  81          3HG2      VAL  81  -5.737 -11.803  -2.937
  549    H    ALA  82           H        ALA  82  -7.657  -8.675  -5.762
  550    HA   ALA  82           HA       ALA  82  -8.730  -6.820  -5.020
  551   1HB   ALA  82          1HB       ALA  82  -8.073  -7.979  -2.622
  552   2HB   ALA  82          2HB       ALA  82  -7.328  -6.385  -2.497
  553   3HB   ALA  82          3HB       ALA  82  -9.053  -6.528  -2.831
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1  -8.523   8.035   7.353
    2   2H    ALA   1          2H        ALA   1  -9.781   6.975   7.767
    3   3H    ALA   1          3H        ALA   1  -9.579   7.467   6.158
    4    HA   ALA   1           HA       ALA   1  -7.736   6.175   5.814
    5   1HB   ALA   1          1HB       ALA   1  -6.283   5.362   7.484
    6   2HB   ALA   1          2HB       ALA   1  -6.669   7.015   7.962
    7   3HB   ALA   1          3HB       ALA   1  -7.457   5.658   8.767
    8    H    THR   2           H        THR   2  -7.593   3.868   5.670
    9    HA   THR   2           HA       THR   2 -10.115   2.556   6.262
   10    HB   THR   2           HB       THR   2  -7.743   1.288   4.909
   11    HG1  THR   2           1HG      THR   2  -9.815   2.701   3.548
   12   1HG2  THR   2          1HG2      THR   2 -10.646   0.828   4.294
   13   2HG2  THR   2          2HG2      THR   2  -9.874   0.014   5.653
   14   3HG2  THR   2          3HG2      THR   2  -9.265  -0.238   4.019
   15    H    THR   3           H        THR   3 -10.308   1.817   8.269
   16    HA   THR   3           HA       THR   3  -8.064   0.784   9.755
   17    HB   THR   3           HB       THR   3 -10.850   0.256  10.668
   18    HG1  THR   3           1HG      THR   3 -11.160   2.340   9.939
   19   1HG2  THR   3          1HG2      THR   3  -9.939   0.714  12.815
   20   2HG2  THR   3          2HG2      THR   3  -8.526   1.509  12.123
   21   3HG2  THR   3          3HG2      THR   3  -8.723  -0.238  11.964
   22    H    ILE   4           H        ILE   4  -7.262  -1.163   9.371
   23    HA   ILE   4           HA       ILE   4  -8.655  -3.105   7.823
   24    HB   ILE   4           HB       ILE   4  -6.099  -3.443   9.405
   25   1HG1  ILE   4          1HG1      ILE   4  -6.287  -3.023   6.433
   26   2HG1  ILE   4          2HG1      ILE   4  -6.298  -1.627   7.537
   27   1HG2  ILE   4          1HG2      ILE   4  -6.077  -5.561   8.735
   28   2HG2  ILE   4          2HG2      ILE   4  -7.704  -5.336   8.093
   29   3HG2  ILE   4          3HG2      ILE   4  -6.304  -5.069   7.056
   30   1HD1  ILE   4          1HD1      ILE   4  -4.130  -3.720   7.571
   31   2HD1  ILE   4          2HD1      ILE   4  -4.049  -2.269   6.572
   32   3HD1  ILE   4          3HD1      ILE   4  -4.122  -2.129   8.329
   33    H    GLY   5           H        GLY   5 -10.327  -4.174   8.619
   34   1HA   GLY   5          1HA       GLY   5 -10.286  -5.020  11.428
   35   2HA   GLY   5          2HA       GLY   5 -11.703  -4.966  10.388
   36    HA   PRO   6           HA       PRO   6 -10.017  -9.301  10.574
   37   1HB   PRO   6          1HB       PRO   6 -11.991 -10.549  11.901
   38   2HB   PRO   6          2HB       PRO   6 -10.818  -9.485  12.745
   39   1HG   PRO   6          1HG       PRO   6 -13.592  -8.853  11.843
   40   2HG   PRO   6          2HG       PRO   6 -12.831  -8.522  13.433
   41   1HD   PRO   6          1HD       PRO   6 -13.070  -6.684  11.368
   42   2HD   PRO   6          2HD       PRO   6 -11.783  -6.629  12.610
   43    H    ASN   7           H        ASN   7 -12.321  -7.761   8.849
   44    HA   ASN   7           HA       ASN   7 -13.027 -10.227   7.398
   45   1HB   ASN   7          1HB       ASN   7 -14.822  -8.345   8.695
   46   2HB   ASN   7          2HB       ASN   7 -15.141  -8.436   6.949
   47   1HD2  ASN   7          1HD2      ASN   7 -14.528 -10.551   9.735
   48   2HD2  ASN   7          2HD2      ASN   7 -15.659 -11.778   9.282
   49    H    THR   8           H        THR   8 -10.891  -8.484   6.900
   50    HA   THR   8           HA       THR   8 -11.502  -6.476   4.989
   51    HB   THR   8           HB       THR   8  -8.858  -7.332   4.588
   52    HG1  THR   8           1HG      THR   8  -9.216  -7.154   7.373
   53   1HG2  THR   8          1HG2      THR   8  -8.962  -5.325   6.605
   54   2HG2  THR   8          2HG2      THR   8 -10.277  -5.041   5.467
   55   3HG2  THR   8          3HG2      THR   8  -8.615  -5.139   4.887
   56    H    CYS   9           H        CYS   9 -10.252  -9.774   4.749
   57    HA   CYS   9           HA       CYS   9 -10.295  -9.629   1.839
   58   1HB   CYS   9          1HB       CYS   9  -9.295 -11.776   3.725
   59   2HB   CYS   9          2HB       CYS   9  -9.176 -11.846   1.960
   60    H    SER  10           H        SER  10 -11.974 -10.328   0.703
   61    HA   SER  10           HA       SER  10 -14.008 -11.999   1.898
   62   1HB   SER  10          1HB       SER  10 -14.341 -11.657  -0.940
   63   2HB   SER  10          2HB       SER  10 -15.310 -10.975   0.388
   64    HG   SER  10           HG       SER  10 -14.021  -9.528  -1.183
   65    H    ILE  11           H        ILE  11 -11.169 -12.882   1.197
   66    HA   ILE  11           HA       ILE  11 -11.940 -15.368  -0.169
   67    HB   ILE  11           HB       ILE  11  -9.072 -14.696  -0.230
   68   1HG1  ILE  11          1HG1      ILE  11  -9.979 -13.355  -2.494
   69   2HG1  ILE  11          2HG1      ILE  11 -11.054 -12.780  -1.197
   70   1HG2  ILE  11          1HG2      ILE  11 -10.828 -16.422  -1.509
   71   2HG2  ILE  11          2HG2      ILE  11 -10.359 -15.260  -2.750
   72   3HG2  ILE  11          3HG2      ILE  11  -9.123 -16.175  -1.884
   73   1HD1  ILE  11          1HD1      ILE  11  -8.564 -12.643  -0.037
   74   2HD1  ILE  11          2HD1      ILE  11  -8.243 -12.183  -1.708
   75   3HD1  ILE  11          3HD1      ILE  11  -9.443 -11.299  -0.763
   76    H    ASP  12           H        ASP  12 -10.538 -17.242   0.522
   77    HA   ASP  12           HA       ASP  12 -10.826 -17.385   3.341
   78   1HB   ASP  12          1HB       ASP  12 -11.036 -19.230   1.452
   79   2HB   ASP  12          2HB       ASP  12  -9.334 -19.513   1.880
   80    H    ASP  13           H        ASP  13  -7.929 -18.693   1.809
   81    HA   ASP  13           HA       ASP  13  -6.451 -17.902   4.177
   82   1HB   ASP  13          1HB       ASP  13  -6.348 -20.205   2.983
   83   2HB   ASP  13          2HB       ASP  13  -5.258 -19.383   1.845
   84    H    TYR  14           H        TYR  14  -6.490 -15.642   3.746
   85    HA   TYR  14           HA       TYR  14  -4.229 -14.826   2.101
   86   1HB   TYR  14          1HB       TYR  14  -7.071 -13.964   1.711
   87   2HB   TYR  14          2HB       TYR  14  -5.777 -12.784   1.442
   88    HD1  TYR  14           1HD      TYR  14  -7.653 -15.450   0.014
   89    HD2  TYR  14           2HD      TYR  14  -3.876 -13.504  -0.170
   90    HE1  TYR  14           1HE      TYR  14  -7.291 -16.374  -2.234
   91    HE2  TYR  14           2HE      TYR  14  -3.497 -14.424  -2.416
   92    HH   TYR  14           HH       TYR  14  -5.963 -15.797  -4.262
   93    H    LYS  15           H        LYS  15  -3.096 -13.155   2.950
   94    HA   LYS  15           HA       LYS  15  -4.142 -12.040   5.464
   95   1HB   LYS  15          1HB       LYS  15  -1.489 -11.329   5.415
   96   2HB   LYS  15          2HB       LYS  15  -2.164 -12.740   6.266
   97   1HG   LYS  15          1HG       LYS  15  -1.780 -13.717   3.729
   98   2HG   LYS  15          2HG       LYS  15  -0.407 -12.601   3.920
   99   1HD   LYS  15          1HD       LYS  15  -1.127 -14.622   6.049
  100   2HD   LYS  15          2HD       LYS  15  -0.083 -15.042   4.669
  101   1HE   LYS  15          1HE       LYS  15   0.539 -12.593   6.284
  102   2HE   LYS  15          2HE       LYS  15   0.948 -14.191   6.943
  103   1HZ   LYS  15          1HZ       LYS  15   2.825 -13.894   5.776
  104   2HZ   LYS  15          2HZ       LYS  15   2.152 -12.730   4.744
  105   3HZ   LYS  15          3HZ       LYS  15   1.899 -14.378   4.437
  106    HA   PRO  16           HA       PRO  16  -4.470  -8.144   3.410
  107   1HB   PRO  16          1HB       PRO  16  -4.361  -6.837   6.049
  108   2HB   PRO  16          2HB       PRO  16  -5.730  -7.023   4.905
  109   1HG   PRO  16          1HG       PRO  16  -5.584  -8.305   7.277
  110   2HG   PRO  16          2HG       PRO  16  -6.495  -8.932   5.865
  111   1HD   PRO  16          1HD       PRO  16  -3.789  -9.703   6.960
  112   2HD   PRO  16          2HD       PRO  16  -5.061 -10.727   6.228
  113    H    TYR  17           H        TYR  17  -3.004  -6.851   2.550
  114    HA   TYR  17           HA       TYR  17  -0.566  -6.244   4.084
  115   1HB   TYR  17          1HB       TYR  17  -0.890  -7.135   1.233
  116   2HB   TYR  17          2HB       TYR  17   0.472  -6.095   1.684
  117    HD1  TYR  17           1HD      TYR  17   2.358  -6.987   2.811
  118    HD2  TYR  17           2HD      TYR  17  -1.117  -9.383   2.333
  119    HE1  TYR  17           1HE      TYR  17   3.624  -8.954   3.564
  120    HE2  TYR  17           2HE      TYR  17   0.125 -11.358   3.086
  121    HH   TYR  17           HH       TYR  17   3.566 -11.325   3.472
  122    H    CYS  18           H        CYS  18   0.031  -4.159   4.121
  123    HA   CYS  18           HA       CYS  18  -1.748  -2.260   2.802
  124   1HB   CYS  18          1HB       CYS  18   0.109  -2.180   5.123
  125   2HB   CYS  18          2HB       CYS  18  -0.042  -0.683   4.188
  126    H    CYS  19           H        CYS  19  -1.235  -1.636   0.837
  127    HA   CYS  19           HA       CYS  19   1.607  -1.537   0.099
  128   1HB   CYS  19          1HB       CYS  19  -0.836  -2.213  -1.547
  129   2HB   CYS  19          2HB       CYS  19   0.753  -1.893  -2.260
  130    H    GLN  20           H        GLN  20   2.411   0.339  -0.533
  131    HA   GLN  20           HA       GLN  20   0.652   2.638  -0.630
  132   1HB   GLN  20          1HB       GLN  20   3.666   2.486  -0.898
  133   2HB   GLN  20          2HB       GLN  20   2.703   3.967  -0.681
  134   1HG   GLN  20          1HG       GLN  20   3.193   3.709   1.490
  135   2HG   GLN  20          2HG       GLN  20   1.901   2.490   1.464
  136   1HE2  GLN  20          1HE2      GLN  20   2.484   0.742   2.518
  137   2HE2  GLN  20          2HE2      GLN  20   4.055   0.025   2.538
  138    H    SER  21           H        SER  21  -0.325   3.096  -2.469
  139    HA   SER  21           HA       SER  21   0.517   2.320  -5.039
  140   1HB   SER  21          1HB       SER  21  -1.099   4.594  -5.329
  141   2HB   SER  21          2HB       SER  21  -1.647   2.900  -5.315
  142    HG   SER  21           HG       SER  21  -2.659   4.313  -3.702
  143    H    MET  22           H        MET  22   0.721   5.327  -3.260
  144    HA   MET  22           HA       MET  22   3.082   6.088  -4.816
  145   1HB   MET  22          1HB       MET  22   1.050   7.322  -5.655
  146   2HB   MET  22          2HB       MET  22   0.895   8.035  -4.032
  147   1HG   MET  22          1HG       MET  22   2.606   9.478  -4.354
  148   2HG   MET  22          2HG       MET  22   3.555   8.316  -5.296
  149   1HE   MET  22          1HE       MET  22   1.759  11.469  -5.263
  150   2HE   MET  22          2HE       MET  22   3.332  11.512  -6.062
  151   3HE   MET  22          3HE       MET  22   1.875  11.937  -6.961
  152    H    SER  23           H        SER  23   4.724   6.684  -3.551
  153    HA   SER  23           HA       SER  23   4.372   6.638  -0.692
  154   1HB   SER  23          1HB       SER  23   6.997   7.513  -1.532
  155   2HB   SER  23          2HB       SER  23   6.524   5.998  -0.726
  156    HG   SER  23           HG       SER  23   6.812   5.039  -2.567
  157    H    GLY  24           H        GLY  24   4.240   8.973  -3.086
  158   1HA   GLY  24          1HA       GLY  24   3.377  11.156  -2.314
  159   2HA   GLY  24          2HA       GLY  24   4.659  11.121  -1.109
  160    HA   PRO  25           HA       PRO  25   6.317  13.399  -4.779
  161   1HB   PRO  25          1HB       PRO  25   7.094  15.662  -3.489
  162   2HB   PRO  25          2HB       PRO  25   5.400  15.371  -4.001
  163   1HG   PRO  25          1HG       PRO  25   6.624  14.995  -1.309
  164   2HG   PRO  25          2HG       PRO  25   5.078  15.798  -1.735
  165   1HD   PRO  25          1HD       PRO  25   5.272  13.219  -0.805
  166   2HD   PRO  25          2HD       PRO  25   3.990  13.757  -1.932
  167    H    ALA  26           H        ALA  26   7.460  11.912  -2.078
  168    HA   ALA  26           HA       ALA  26  10.235  12.778  -2.355
  169   1HB   ALA  26          1HB       ALA  26  10.638  11.503  -0.324
  170   2HB   ALA  26          2HB       ALA  26   9.276  12.602  -0.105
  171   3HB   ALA  26          3HB       ALA  26   8.987  10.884  -0.366
  172    H    GLY  27           H        GLY  27  11.817  10.795  -1.988
  173   1HA   GLY  27          1HA       GLY  27  11.731   8.282  -2.616
  174   2HA   GLY  27          2HA       GLY  27  11.210   8.916  -4.169
  175    H    SER  28           H        SER  28  13.259   7.499  -4.546
  176    HA   SER  28           HA       SER  28  15.389   7.370  -5.293
  177   1HB   SER  28          1HB       SER  28  15.023  10.369  -5.520
  178   2HB   SER  28          2HB       SER  28  16.399   9.473  -6.208
  179    HG   SER  28           HG       SER  28  13.698   8.790  -6.796
  180    HA   PRO  29           HA       PRO  29  17.279   8.503  -1.262
  181   1HB   PRO  29          1HB       PRO  29  17.861   6.018  -0.377
  182   2HB   PRO  29          2HB       PRO  29  16.199   6.689  -0.301
  183   1HG   PRO  29          1HG       PRO  29  17.359   4.795  -2.285
  184   2HG   PRO  29          2HG       PRO  29  15.766   4.726  -1.463
  185   1HD   PRO  29          1HD       PRO  29  16.219   5.690  -4.039
  186   2HD   PRO  29          2HD       PRO  29  14.840   6.176  -3.005
  187    H    GLY  30           H        GLY  30  19.442   8.771  -0.872
  188   1HA   GLY  30          1HA       GLY  30  21.325   7.288  -2.604
  189   2HA   GLY  30          2HA       GLY  30  21.506   9.012  -2.292
  190    H    LEU  31           H        LEU  31  21.352   5.866  -0.688
  191    HA   LEU  31           HA       LEU  31  22.761   7.023   1.619
  192   1HB   LEU  31          1HB       LEU  31  20.572   5.200   1.352
  193   2HB   LEU  31          2HB       LEU  31  21.927   4.359   2.144
  194    HG   LEU  31           HG       LEU  31  21.345   7.031   3.228
  195   1HD1  LEU  31          1HD1      LEU  31  19.264   6.683   4.095
  196   2HD1  LEU  31          2HD1      LEU  31  19.088   5.816   2.569
  197   3HD1  LEU  31          3HD1      LEU  31  19.419   4.926   4.056
  198   1HD2  LEU  31          1HD2      LEU  31  22.942   5.287   4.124
  199   2HD2  LEU  31          2HD2      LEU  31  21.801   5.959   5.289
  200   3HD2  LEU  31          3HD2      LEU  31  21.521   4.358   4.601
  201    H    LEU  32           H        LEU  32  22.697   4.125  -0.428
  202    HA   LEU  32           HA       LEU  32  25.582   3.828   0.038
  203   1HB   LEU  32          1HB       LEU  32  24.540   1.223  -0.275
  204   2HB   LEU  32          2HB       LEU  32  25.315   1.930   1.163
  205    HG   LEU  32           HG       LEU  32  22.647   2.827   1.171
  206   1HD1  LEU  32          1HD1      LEU  32  22.722   0.510  -0.334
  207   2HD1  LEU  32          2HD1      LEU  32  22.263  -0.036   1.278
  208   3HD1  LEU  32          3HD1      LEU  32  21.312   1.206   0.464
  209   1HD2  LEU  32          1HD2      LEU  32  23.972   0.649   2.777
  210   2HD2  LEU  32          2HD2      LEU  32  24.071   2.377   3.111
  211   3HD2  LEU  32          3HD2      LEU  32  22.522   1.545   3.232
  212    H    ASN  33           H        ASN  33  26.506   2.181  -1.535
  213    HA   ASN  33           HA       ASN  33  25.725   2.991  -4.185
  214   1HB   ASN  33          1HB       ASN  33  28.122   2.618  -3.313
  215   2HB   ASN  33          2HB       ASN  33  27.788   0.886  -3.529
  216   1HD2  ASN  33          1HD2      ASN  33  28.795   0.239  -5.285
  217   2HD2  ASN  33          2HD2      ASN  33  28.797   1.042  -6.820
  218    H    LEU  34           H        LEU  34  23.605   2.068  -4.176
  219    HA   LEU  34           HA       LEU  34  23.605  -0.826  -4.725
  220   1HB   LEU  34          1HB       LEU  34  22.249   0.544  -2.666
  221   2HB   LEU  34          2HB       LEU  34  21.019   0.122  -3.882
  222    HG   LEU  34           HG       LEU  34  21.989  -2.257  -3.744
  223   1HD1  LEU  34          1HD1      LEU  34  23.254  -0.972  -1.342
  224   2HD1  LEU  34          2HD1      LEU  34  22.928  -2.703  -1.421
  225   3HD1  LEU  34          3HD1      LEU  34  24.012  -1.957  -2.595
  226   1HD2  LEU  34          1HD2      LEU  34  20.388  -0.900  -1.604
  227   2HD2  LEU  34          2HD2      LEU  34  19.834  -1.948  -2.909
  228   3HD2  LEU  34          3HD2      LEU  34  20.715  -2.631  -1.544
  229    H    ILE  35           H        ILE  35  22.654  -1.443  -6.584
  230    HA   ILE  35           HA       ILE  35  21.405   0.675  -8.199
  231    HB   ILE  35           HB       ILE  35  21.930  -1.238 -10.029
  232   1HG1  ILE  35          1HG1      ILE  35  24.572  -1.411  -8.902
  233   2HG1  ILE  35          2HG1      ILE  35  23.389  -2.069  -7.747
  234   1HG2  ILE  35          1HG2      ILE  35  24.204   0.113 -10.254
  235   2HG2  ILE  35          2HG2      ILE  35  22.639   0.835 -10.632
  236   3HG2  ILE  35          3HG2      ILE  35  23.402   1.150  -9.073
  237   1HD1  ILE  35          1HD1      ILE  35  23.016  -3.890  -9.002
  238   2HD1  ILE  35          2HD1      ILE  35  23.011  -2.975 -10.510
  239   3HD1  ILE  35          3HD1      ILE  35  24.540  -3.467  -9.784
  240    HA   PRO  36           HA       PRO  36  17.617  -1.593  -8.125
  241   1HB   PRO  36          1HB       PRO  36  16.974  -0.656 -10.844
  242   2HB   PRO  36          2HB       PRO  36  16.260  -0.202  -9.262
  243   1HG   PRO  36          1HG       PRO  36  17.791   1.461 -10.736
  244   2HG   PRO  36          2HG       PRO  36  17.647   1.568  -8.951
  245   1HD   PRO  36          1HD       PRO  36  19.839   0.421 -10.682
  246   2HD   PRO  36          2HD       PRO  36  19.951   1.317  -9.136
  247    H    VAL  37           H        VAL  37  17.392  -3.705  -8.410
  248    HA   VAL  37           HA       VAL  37  18.303  -4.913 -10.940
  249    HB   VAL  37           HB       VAL  37  17.741  -6.446  -8.404
  250   1HG1  VAL  37          1HG1      VAL  37  19.239  -7.026 -10.944
  251   2HG1  VAL  37          2HG1      VAL  37  19.425  -8.005  -9.488
  252   3HG1  VAL  37          3HG1      VAL  37  17.849  -7.876 -10.270
  253   1HG2  VAL  37          1HG2      VAL  37  19.487  -4.634  -8.071
  254   2HG2  VAL  37          2HG2      VAL  37  19.995  -6.287  -7.721
  255   3HG2  VAL  37          3HG2      VAL  37  20.482  -5.517  -9.231
  256    H    ASP  38           H        ASP  38  15.701  -4.595  -8.662
  257    HA   ASP  38           HA       ASP  38  13.889  -5.861 -10.611
  258   1HB   ASP  38          1HB       ASP  38  14.337  -6.823  -8.106
  259   2HB   ASP  38          2HB       ASP  38  12.993  -5.704  -7.791
  260    H    LEU  39           H        LEU  39  11.756  -4.945 -10.719
  261    HA   LEU  39           HA       LEU  39  11.698  -2.118  -9.893
  262   1HB   LEU  39          1HB       LEU  39   9.963  -2.753 -12.139
  263   2HB   LEU  39          2HB       LEU  39  11.186  -1.470 -11.970
  264    HG   LEU  39           HG       LEU  39  12.699  -3.761 -12.339
  265   1HD1  LEU  39          1HD1      LEU  39  10.219  -4.571 -13.078
  266   2HD1  LEU  39          2HD1      LEU  39  10.847  -3.948 -14.605
  267   3HD1  LEU  39          3HD1      LEU  39  11.723  -5.212 -13.741
  268   1HD2  LEU  39          1HD2      LEU  39  12.575  -2.725 -14.829
  269   2HD2  LEU  39          2HD2      LEU  39  11.917  -1.387 -13.886
  270   3HD2  LEU  39          3HD2      LEU  39  13.517  -2.025 -13.512
  271    H    SER  40           H        SER  40   8.929  -1.938 -10.979
  272    HA   SER  40           HA       SER  40   7.544  -2.796  -8.617
  273   1HB   SER  40          1HB       SER  40   5.838  -1.890 -10.802
  274   2HB   SER  40          2HB       SER  40   6.095  -1.174  -9.193
  275    HG   SER  40           HG       SER  40   6.840   0.269 -10.756
  276    H    ALA  41           H        ALA  41   8.552  -5.035  -9.814
  277    HA   ALA  41           HA       ALA  41   6.335  -6.279 -11.276
  278   1HB   ALA  41          1HB       ALA  41   9.214  -7.079 -10.907
  279   2HB   ALA  41          2HB       ALA  41   8.011  -8.109 -11.682
  280   3HB   ALA  41          3HB       ALA  41   8.421  -6.547 -12.388
  281    H    SER  42           H        SER  42   8.246  -6.539  -8.335
  282    HA   SER  42           HA       SER  42   6.432  -8.659  -7.416
  283   1HB   SER  42          1HB       SER  42   8.943  -7.887  -5.953
  284   2HB   SER  42          2HB       SER  42   8.084  -9.446  -5.969
  285    HG   SER  42           HG       SER  42   9.438  -8.331  -8.218
  286    H    LEU  43           H        LEU  43   6.291  -8.468  -4.818
  287    HA   LEU  43           HA       LEU  43   5.112  -5.806  -4.452
  288   1HB   LEU  43          1HB       LEU  43   4.335  -8.548  -3.660
  289   2HB   LEU  43          2HB       LEU  43   4.019  -7.266  -2.466
  290    HG   LEU  43           HG       LEU  43   2.042  -7.661  -3.814
  291   1HD1  LEU  43          1HD1      LEU  43   2.602  -5.352  -3.077
  292   2HD1  LEU  43          2HD1      LEU  43   3.312  -5.065  -4.666
  293   3HD1  LEU  43          3HD1      LEU  43   1.591  -5.417  -4.521
  294   1HD2  LEU  43          1HD2      LEU  43   3.959  -7.830  -5.952
  295   2HD2  LEU  43          2HD2      LEU  43   2.265  -8.324  -5.924
  296   3HD2  LEU  43          3HD2      LEU  43   2.694  -6.664  -6.342
  297    H    GLY  44           H        GLY  44   5.819  -4.494  -2.915
  298   1HA   GLY  44          1HA       GLY  44   7.596  -5.618  -0.840
  299   2HA   GLY  44          2HA       GLY  44   7.882  -4.052  -1.591
  300    H    CYS  45           H        CYS  45   5.324  -5.818   0.125
  301    HA   CYS  45           HA       CYS  45   4.607  -3.299   1.445
  302   1HB   CYS  45          1HB       CYS  45   2.703  -5.568   0.875
  303   2HB   CYS  45          2HB       CYS  45   2.303  -3.945   1.462
  304    H    VAL  46           H        VAL  46   3.272  -3.749   3.496
  305    HA   VAL  46           HA       VAL  46   4.597  -5.908   5.000
  306    HB   VAL  46           HB       VAL  46   4.081  -4.345   7.018
  307   1HG1  VAL  46          1HG1      VAL  46   6.264  -3.136   6.621
  308   2HG1  VAL  46          2HG1      VAL  46   6.319  -4.894   6.499
  309   3HG1  VAL  46          3HG1      VAL  46   6.302  -3.909   5.036
  310   1HG2  VAL  46          1HG2      VAL  46   3.208  -2.350   6.571
  311   2HG2  VAL  46          2HG2      VAL  46   4.644  -1.947   5.629
  312   3HG2  VAL  46          3HG2      VAL  46   3.253  -2.694   4.841
  313    H    VAL  47           H        VAL  47   3.352  -6.729   6.831
  314    HA   VAL  47           HA       VAL  47   0.752  -7.444   5.956
  315    HB   VAL  47           HB       VAL  47   1.006  -8.110   8.702
  316   1HG1  VAL  47          1HG1      VAL  47   1.695 -10.314   7.067
  317   2HG1  VAL  47          2HG1      VAL  47   0.135  -9.936   7.798
  318   3HG1  VAL  47          3HG1      VAL  47   0.519  -9.341   6.183
  319   1HG2  VAL  47          1HG2      VAL  47   3.115  -9.102   8.933
  320   2HG2  VAL  47          2HG2      VAL  47   3.464  -8.972   7.209
  321   3HG2  VAL  47          3HG2      VAL  47   3.453  -7.526   8.218
  322    H    GLY  48           H        GLY  48  -1.133  -6.552   6.324
  323   1HA   GLY  48          1HA       GLY  48  -1.297  -4.336   8.239
  324   2HA   GLY  48          2HA       GLY  48  -2.457  -4.695   6.964
  325    H    VAL  49           H        VAL  49  -1.195  -5.849  10.051
  326    HA   VAL  49           HA       VAL  49  -3.114  -7.847  10.484
  327    HB   VAL  49           HB       VAL  49  -0.884  -7.344  11.742
  328   1HG1  VAL  49          1HG1      VAL  49  -2.378  -6.298  14.000
  329   2HG1  VAL  49          2HG1      VAL  49  -0.818  -5.801  13.345
  330   3HG1  VAL  49          3HG1      VAL  49  -2.309  -5.167  12.649
  331   1HG2  VAL  49          1HG2      VAL  49  -2.544  -8.262  13.853
  332   2HG2  VAL  49          2HG2      VAL  49  -3.181  -8.885  12.333
  333   3HG2  VAL  49          3HG2      VAL  49  -1.503  -9.197  12.780
  334    H    ILE  50           H        ILE  50  -4.945  -7.875  11.851
  335    HA   ILE  50           HA       ILE  50  -6.779  -5.827  11.438
  336    HB   ILE  50           HB       ILE  50  -6.779  -8.019  13.516
  337   1HG1  ILE  50          1HG1      ILE  50  -8.736  -8.590  11.697
  338   2HG1  ILE  50          2HG1      ILE  50  -7.511  -7.806  10.671
  339   1HG2  ILE  50          1HG2      ILE  50  -9.284  -6.681  12.640
  340   2HG2  ILE  50          2HG2      ILE  50  -8.911  -7.500  14.156
  341   3HG2  ILE  50          3HG2      ILE  50  -8.282  -5.883  13.851
  342   1HD1  ILE  50          1HD1      ILE  50  -7.350 -10.361  12.214
  343   2HD1  ILE  50          2HD1      ILE  50  -6.896 -10.020  10.544
  344   3HD1  ILE  50          3HD1      ILE  50  -5.879  -9.452  11.866
  345    H    GLY  51           H        GLY  51  -7.143  -3.939  12.393
  346   1HA   GLY  51          1HA       GLY  51  -7.425  -2.698  14.487
  347   2HA   GLY  51          2HA       GLY  51  -5.951  -3.464  15.059
  348    H    SER  52           H        SER  52  -4.769  -3.100  12.309
  349    HA   SER  52           HA       SER  52  -3.626  -0.510  12.841
  350   1HB   SER  52          1HB       SER  52  -3.026  -1.944  10.291
  351   2HB   SER  52          2HB       SER  52  -1.929  -1.100  11.410
  352    HG   SER  52           HG       SER  52  -3.054  -3.704  11.665
  353    H    GLN  53           H        GLN  53  -3.824   1.334  11.618
  354    HA   GLN  53           HA       GLN  53  -6.045   1.374   9.707
  355   1HB   GLN  53          1HB       GLN  53  -4.609   3.840  10.639
  356   2HB   GLN  53          2HB       GLN  53  -6.303   3.647  10.125
  357   1HG   GLN  53          1HG       GLN  53  -6.816   3.683  12.291
  358   2HG   GLN  53          2HG       GLN  53  -6.136   2.043  12.367
  359   1HE2  GLN  53          1HE2      GLN  53  -6.224   4.487  14.201
  360   2HE2  GLN  53          2HE2      GLN  53  -4.589   4.643  14.752
  361    H    CYS  54           H        CYS  54  -5.782   2.082   7.625
  362    HA   CYS  54           HA       CYS  54  -3.009   2.545   6.764
  363   1HB   CYS  54          1HB       CYS  54  -4.299   0.221   6.285
  364   2HB   CYS  54          2HB       CYS  54  -4.827   1.157   4.877
  365    H    GLY  55           H        GLY  55  -2.698   4.190   5.404
  366   1HA   GLY  55          1HA       GLY  55  -5.071   5.546   4.304
  367   2HA   GLY  55          2HA       GLY  55  -3.501   6.297   4.561
  368    H    ALA  56           H        ALA  56  -3.478   3.141   3.316
  369    HA   ALA  56           HA       ALA  56  -3.037   4.136   0.588
  370   1HB   ALA  56          1HB       ALA  56  -1.059   2.966   0.341
  371   2HB   ALA  56          2HB       ALA  56  -0.938   3.534   2.006
  372   3HB   ALA  56          3HB       ALA  56  -1.417   1.869   1.674
  373    H    SER  57           H        SER  57  -2.628   1.822  -0.721
  374    HA   SER  57           HA       SER  57  -5.261   0.683  -0.740
  375   1HB   SER  57          1HB       SER  57  -3.689  -0.790  -2.504
  376   2HB   SER  57          2HB       SER  57  -4.675   0.636  -2.909
  377    HG   SER  57           HG       SER  57  -1.939   0.662  -2.077
  378    H    VAL  58           H        VAL  58  -5.770  -0.814   0.733
  379    HA   VAL  58           HA       VAL  58  -3.808  -2.787   1.579
  380    HB   VAL  58           HB       VAL  58  -6.688  -2.889   2.401
  381   1HG1  VAL  58          1HG1      VAL  58  -5.943  -4.102   4.186
  382   2HG1  VAL  58          2HG1      VAL  58  -4.689  -4.510   3.013
  383   3HG1  VAL  58          3HG1      VAL  58  -4.384  -3.278   4.238
  384   1HG2  VAL  58          1HG2      VAL  58  -4.973  -1.293   4.159
  385   2HG2  VAL  58          2HG2      VAL  58  -5.345  -0.522   2.616
  386   3HG2  VAL  58          3HG2      VAL  58  -6.651  -1.045   3.680
  387    H    LYS  59           H        LYS  59  -3.624  -4.714   0.662
  388    HA   LYS  59           HA       LYS  59  -5.918  -5.805  -0.816
  389   1HB   LYS  59          1HB       LYS  59  -4.247  -6.743  -2.473
  390   2HB   LYS  59          2HB       LYS  59  -4.511  -4.984  -2.548
  391   1HG   LYS  59          1HG       LYS  59  -2.439  -4.602  -1.316
  392   2HG   LYS  59          2HG       LYS  59  -2.182  -6.358  -1.175
  393   1HD   LYS  59          1HD       LYS  59  -0.837  -5.765  -2.990
  394   2HD   LYS  59          2HD       LYS  59  -2.325  -6.362  -3.763
  395   1HE   LYS  59          1HE       LYS  59  -2.862  -4.328  -4.598
  396   2HE   LYS  59          2HE       LYS  59  -2.314  -3.471  -3.141
  397   1HZ   LYS  59          1HZ       LYS  59  -0.982  -2.953  -5.125
  398   2HZ   LYS  59          2HZ       LYS  59  -0.513  -4.577  -5.244
  399   3HZ   LYS  59          3HZ       LYS  59  -0.048  -3.659  -3.900
  400    H    CYS  60           H        CYS  60  -5.531  -8.206  -1.289
  401    HA   CYS  60           HA       CYS  60  -4.414  -9.405   1.158
  402   1HB   CYS  60          1HB       CYS  60  -6.433 -10.600  -0.763
  403   2HB   CYS  60          2HB       CYS  60  -5.937 -11.261   0.804
  404    H    CYS  61           H        CYS  61  -2.573 -10.460   0.939
  405    HA   CYS  61           HA       CYS  61  -1.944 -11.579  -1.708
  406   1HB   CYS  61          1HB       CYS  61  -0.219 -10.017   0.192
  407   2HB   CYS  61          2HB       CYS  61   0.511 -11.172  -0.936
  408    H    LYS  62           H        LYS  62  -0.642 -13.440  -1.753
  409    HA   LYS  62           HA       LYS  62  -0.092 -14.834   0.723
  410   1HB   LYS  62          1HB       LYS  62  -2.184 -15.771   0.566
  411   2HB   LYS  62          2HB       LYS  62  -2.235 -15.607  -1.206
  412   1HG   LYS  62          1HG       LYS  62  -2.052 -17.865  -1.066
  413   2HG   LYS  62          2HG       LYS  62  -0.320 -17.452  -1.045
  414   1HD   LYS  62          1HD       LYS  62  -0.265 -17.615   1.373
  415   2HD   LYS  62          2HD       LYS  62  -2.024 -17.882   1.428
  416   1HE   LYS  62          1HE       LYS  62  -0.845 -19.793  -0.361
  417   2HE   LYS  62          2HE       LYS  62   0.051 -19.812   1.174
  418   1HZ   LYS  62          1HZ       LYS  62  -2.419 -19.784   2.112
  419   2HZ   LYS  62          2HZ       LYS  62  -1.616 -21.225   1.709
  420   3HZ   LYS  62          3HZ       LYS  62  -2.726 -20.545   0.623
  421    H    ASP  63           H        ASP  63   1.652 -16.012   0.579
  422    HA   ASP  63           HA       ASP  63   2.516 -17.594  -1.523
  423   1HB   ASP  63          1HB       ASP  63   2.972 -15.144  -2.419
  424   2HB   ASP  63          2HB       ASP  63   4.387 -15.249  -1.349
  425    H    ASP  64           H        ASP  64   5.160 -17.844  -1.175
  426    HA   ASP  64           HA       ASP  64   5.265 -18.631   1.635
  427   1HB   ASP  64          1HB       ASP  64   5.842 -20.324  -0.044
  428   2HB   ASP  64          2HB       ASP  64   7.140 -19.276  -0.657
  429    H    VAL  65           H        VAL  65   5.705 -16.762   2.729
  430    HA   VAL  65           HA       VAL  65   8.244 -15.433   2.136
  431    HB   VAL  65           HB       VAL  65   6.688 -14.662   4.537
  432   1HG1  VAL  65          1HG1      VAL  65   7.894 -12.795   4.367
  433   2HG1  VAL  65          2HG1      VAL  65   8.828 -13.643   3.132
  434   3HG1  VAL  65          3HG1      VAL  65   7.490 -12.593   2.662
  435   1HG2  VAL  65          1HG2      VAL  65   5.488 -13.080   2.665
  436   2HG2  VAL  65          2HG2      VAL  65   5.545 -14.638   1.841
  437   3HG2  VAL  65          3HG2      VAL  65   4.752 -14.501   3.410
  438    H    THR  66           H        THR  66   9.837 -16.729   2.782
  439    HA   THR  66           HA       THR  66   9.618 -18.149   5.315
  440    HB   THR  66           HB       THR  66  12.108 -18.689   4.082
  441    HG1  THR  66           1HG      THR  66  10.079 -19.194   2.190
  442   1HG2  THR  66          1HG2      THR  66  10.524 -20.822   3.474
  443   2HG2  THR  66          2HG2      THR  66   9.608 -20.067   4.780
  444   3HG2  THR  66          3HG2      THR  66  11.284 -20.558   5.046
  445    H    ASN  67           H        ASN  67  12.469 -18.313   5.788
  446    HA   ASN  67           HA       ASN  67  12.618 -15.894   7.375
  447   1HB   ASN  67          1HB       ASN  67  13.181 -18.362   8.082
  448   2HB   ASN  67          2HB       ASN  67  14.764 -17.993   7.364
  449   1HD2  ASN  67          1HD2      ASN  67  14.544 -18.598  10.019
  450   2HD2  ASN  67          2HD2      ASN  67  14.863 -17.193  10.979
  451    H    THR  68           H        THR  68  12.837 -14.935   5.000
  452    HA   THR  68           HA       THR  68  15.664 -14.160   4.845
  453    HB   THR  68           HB       THR  68  14.132 -14.177   2.293
  454    HG1  THR  68           1HG      THR  68  14.509 -16.411   3.784
  455   1HG2  THR  68          1HG2      THR  68  16.308 -14.633   1.350
  456   2HG2  THR  68          2HG2      THR  68  16.982 -14.934   2.952
  457   3HG2  THR  68          3HG2      THR  68  16.457 -13.310   2.508
  458    H    GLY  69           H        GLY  69  13.244 -13.045   6.095
  459   1HA   GLY  69          1HA       GLY  69  12.599 -10.712   4.482
  460   2HA   GLY  69          2HA       GLY  69  11.876 -11.150   6.022
  461    H    ASN  70           H        ASN  70  14.719  -9.755   4.498
  462    HA   ASN  70           HA       ASN  70  15.795  -8.772   6.985
  463   1HB   ASN  70          1HB       ASN  70  17.391  -9.208   5.256
  464   2HB   ASN  70          2HB       ASN  70  16.476  -8.236   4.083
  465   1HD2  ASN  70          1HD2      ASN  70  17.372  -6.353   3.674
  466   2HD2  ASN  70          2HD2      ASN  70  18.280  -5.377   4.785
  467    H    SER  71           H        SER  71  15.063  -7.081   8.036
  468    HA   SER  71           HA       SER  71  14.136  -5.090   8.571
  469   1HB   SER  71          1HB       SER  71  14.163  -4.498   5.593
  470   2HB   SER  71          2HB       SER  71  13.880  -3.318   6.896
  471    HG   SER  71           HG       SER  71  16.119  -4.498   7.537
  472    H    PHE  72           H        PHE  72  12.626  -6.429   5.625
  473    HA   PHE  72           HA       PHE  72  10.114  -6.626   7.055
  474   1HB   PHE  72          1HB       PHE  72   8.850  -5.150   5.851
  475   2HB   PHE  72          2HB       PHE  72  10.407  -4.307   5.780
  476    HD1  PHE  72           1HD      PHE  72  11.867  -4.718   3.704
  477    HD2  PHE  72           2HD      PHE  72   7.738  -5.720   3.903
  478    HE1  PHE  72           1HE      PHE  72  11.756  -4.742   1.246
  479    HE2  PHE  72           2HE      PHE  72   7.616  -5.752   1.448
  480    HZ   PHE  72           HZ       PHE  72   9.629  -5.260   0.118
  481    H    LEU  73           H        LEU  73   8.440  -7.731   5.639
  482    HA   LEU  73           HA       LEU  73   9.762 -10.011   4.422
  483   1HB   LEU  73          1HB       LEU  73   7.081 -10.554   4.311
  484   2HB   LEU  73          2HB       LEU  73   8.173 -11.001   5.644
  485    HG   LEU  73           HG       LEU  73   7.440  -8.494   6.399
  486   1HD1  LEU  73          1HD1      LEU  73   5.862  -8.449   4.419
  487   2HD1  LEU  73          2HD1      LEU  73   4.926  -9.686   5.259
  488   3HD1  LEU  73          3HD1      LEU  73   5.151  -8.098   5.995
  489   1HD2  LEU  73          1HD2      LEU  73   7.208 -11.032   7.354
  490   2HD2  LEU  73          2HD2      LEU  73   6.629  -9.585   8.180
  491   3HD2  LEU  73          3HD2      LEU  73   5.518 -10.549   7.208
  492    H    ILE  74           H        ILE  74  10.261  -9.763   2.329
  493    HA   ILE  74           HA       ILE  74   8.747  -8.197   0.503
  494    HB   ILE  74           HB       ILE  74  11.239  -9.586   0.459
  495   1HG1  ILE  74          1HG1      ILE  74  10.593  -8.105  -1.957
  496   2HG1  ILE  74          2HG1      ILE  74  10.082  -7.241  -0.487
  497   1HG2  ILE  74          1HG2      ILE  74  11.311 -10.884  -1.408
  498   2HG2  ILE  74          2HG2      ILE  74   9.646 -11.200  -0.922
  499   3HG2  ILE  74          3HG2      ILE  74   9.985 -10.025  -2.195
  500   1HD1  ILE  74          1HD1      ILE  74  12.418  -7.605   0.392
  501   2HD1  ILE  74          2HD1      ILE  74  12.856  -8.166  -1.222
  502   3HD1  ILE  74          3HD1      ILE  74  12.281  -6.516  -0.990
  503    H    ILE  75           H        ILE  75   7.236  -8.813  -1.019
  504    HA   ILE  75           HA       ILE  75   6.083 -11.482  -0.555
  505    HB   ILE  75           HB       ILE  75   4.242  -9.685  -1.853
  506   1HG1  ILE  75          1HG1      ILE  75   5.069  -8.830   0.925
  507   2HG1  ILE  75          2HG1      ILE  75   5.642  -8.014  -0.550
  508   1HG2  ILE  75          1HG2      ILE  75   3.537 -11.701  -0.779
  509   2HG2  ILE  75          2HG2      ILE  75   4.227 -11.175   0.759
  510   3HG2  ILE  75          3HG2      ILE  75   2.832 -10.330   0.087
  511   1HD1  ILE  75          1HD1      ILE  75   2.719  -8.356   0.100
  512   2HD1  ILE  75          2HD1      ILE  75   3.663  -6.958   0.615
  513   3HD1  ILE  75          3HD1      ILE  75   3.455  -7.297  -1.103
  514    H    ASN  76           H        ASN  76   5.797 -12.818  -2.206
  515    HA   ASN  76           HA       ASN  76   6.751 -12.095  -4.822
  516   1HB   ASN  76          1HB       ASN  76   7.173 -14.334  -3.865
  517   2HB   ASN  76          2HB       ASN  76   5.423 -14.642  -3.845
  518   1HD2  ASN  76          1HD2      ASN  76   5.205 -16.233  -5.292
  519   2HD2  ASN  76          2HD2      ASN  76   5.721 -16.147  -6.946
  520    H    ALA  77           H        ALA  77   5.528 -11.822  -6.660
  521    HA   ALA  77           HA       ALA  77   2.837 -10.893  -6.168
  522   1HB   ALA  77          1HB       ALA  77   2.963  -9.834  -8.263
  523   2HB   ALA  77          2HB       ALA  77   4.583  -9.700  -7.580
  524   3HB   ALA  77          3HB       ALA  77   4.246 -10.907  -8.821
  525    H    ALA  78           H        ALA  78   2.716 -13.510  -5.731
  526    HA   ALA  78           HA       ALA  78   1.779 -14.773  -8.203
  527   1HB   ALA  78          1HB       ALA  78   1.570 -16.774  -6.487
  528   2HB   ALA  78          2HB       ALA  78   3.107 -16.346  -7.234
  529   3HB   ALA  78          3HB       ALA  78   2.746 -15.807  -5.597
  530    H    ASN  79           H        ASN  79   0.670 -14.922  -4.795
  531    HA   ASN  79           HA       ASN  79  -2.069 -14.960  -5.873
  532   1HB   ASN  79          1HB       ASN  79  -1.259 -15.669  -3.050
  533   2HB   ASN  79          2HB       ASN  79  -2.768 -16.076  -3.894
  534   1HD2  ASN  79          1HD2      ASN  79   0.517 -16.930  -3.330
  535   2HD2  ASN  79          2HD2      ASN  79   0.513 -18.423  -4.210
  536    H    CYS  80           H        CYS  80  -1.682 -12.546  -6.125
  537    HA   CYS  80           HA       CYS  80  -2.458 -11.240  -3.599
  538   1HB   CYS  80          1HB       CYS  80  -0.810 -10.216  -5.910
  539   2HB   CYS  80          2HB       CYS  80  -1.610  -9.111  -4.781
  540    H    VAL  81           H        VAL  81  -4.382 -10.271  -3.550
  541    HA   VAL  81           HA       VAL  81  -5.756  -9.622  -6.052
  542    HB   VAL  81           HB       VAL  81  -7.855 -10.702  -4.872
  543   1HG1  VAL  81          1HG1      VAL  81  -6.059 -11.497  -6.906
  544   2HG1  VAL  81          2HG1      VAL  81  -6.537 -12.941  -6.014
  545   3HG1  VAL  81          3HG1      VAL  81  -7.768 -11.903  -6.729
  546   1HG2  VAL  81          1HG2      VAL  81  -5.546 -12.234  -3.705
  547   2HG2  VAL  81          2HG2      VAL  81  -6.888 -11.471  -2.853
  548   3HG2  VAL  81          3HG2      VAL  81  -7.169 -12.906  -3.840
  549    H    ALA  82           H        ALA  82  -7.702  -8.330  -5.680
  550    HA   ALA  82           HA       ALA  82  -7.991  -7.105  -3.070
  551   1HB   ALA  82          1HB       ALA  82  -7.918  -4.806  -4.318
  552   2HB   ALA  82          2HB       ALA  82  -6.419  -5.560  -3.774
  553   3HB   ALA  82          3HB       ALA  82  -6.908  -5.682  -5.465