*HEADER    DE NOVO PROTEIN                         18-MAR-07   2P6J              
*TITLE     FULL-SEQUENCE COMPUTATIONAL DESIGN AND SOLUTION STRUCTURE             
*TITLE    2 OF A THERMOSTABLE PROTEIN VARIANT                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED ENGRAILED HOMEODOMAIN VARIANT UVF;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: UNIDENTIFIED;                                   
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*KEYWDS    DE NOVO PROTEIN, HELIX-TURN-HELIX, COMPUTATIONAL PROTEIN              
*KEYWDS   2 DESIGN, ENGRAILED HOMEODOMAIN, NMR                                   
*EXPDTA    NMR, 43 STRUCTURES                                                    
*AUTHOR    P.S.SHAH, G.K.HOM, S.A.ROSS, J.K.LASSILA, K.A.CROWHURST,              
*AUTHOR   2 S.L.MAYO                                                             
*REVDAT   2   11-SEP-07 2P6J    1       NEW FORMAT                                     
*REVDAT   1   14-AUG-07 2P6J    0                                                

# unambig_NOEs.tbl

 ASSI {    1}
   (( segid "ENHF" and resid 37   and name HA  ))
   (( segid "ENHF" and resid 37   and name HB2 ))
      2.500     0.600     0.600 peak     1 spectrum    1 weight  0.11000E+01 volume  0.52705E-02 ppm1      4.642 ppm2      2.917 CV     1
 ASSI {    2}
   (( segid "ENHF" and resid 35   and name HA1 ))
   (( segid "ENHF" and resid 35   and name HA2 ))
      1.700     0.300     0.500 peak     2 spectrum    1 weight  0.11000E+01 volume  0.31562E-01 ppm1      4.066 ppm2      3.709 CV     1
 ASSI {    3}
   (( segid "ENHF" and resid 28   and name HB1 ))
   (( segid "ENHF" and resid 28   and name HD2 ))
      4.000     4.000     2.000 peak     3 spectrum    1 weight  0.11000E+01 volume  0.59172E-03 ppm1      3.423 ppm2      7.166 CV     1
 ASSI {    5}
   (( segid "ENHF" and resid 4    and name HB1 ))
   (( segid "ENHF" and resid 4    and name HA  ))
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.11000E+01 volume  0.52432E-02 ppm1      3.376 ppm2      4.771 CV     1
 ASSI {    6}
   (( segid "ENHF" and resid 4    and name HB1 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      3.000     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11476E-02 ppm1      3.379 ppm2      0.630 CV     1
 ASSI {   10}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 42   and name HB2 ))
      2.500     0.600     0.600 peak    10 spectrum    1 weight  0.11000E+01 volume  0.65471E-02 ppm1      3.246 ppm2      1.998 CV     1
 ASSI {   12}
   (( segid "ENHF" and resid 45   and name HB2 ))
   (  segid "ENHF" and resid 45   and name HD% )
      3.000     0.900     0.900 peak    12 spectrum    1 weight  0.11000E+01 volume  0.17369E-02 ppm1      3.228 ppm2      7.363 CV     1
 ASSI {   13}
   (( segid "ENHF" and resid 45   and name HB2 ))
   (( segid "ENHF" and resid 45   and name HA  ))
      3.200     1.000     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.16470E-02 ppm1      3.224 ppm2      4.189 CV     1
 ASSI {   14}
   (( segid "ENHF" and resid 42   and name HD2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      2.300     0.600     0.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.68854E-02 ppm1      3.245 ppm2      1.794 CV     1
 OR {   14}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
 ASSI {   15}
   (( segid "ENHF" and resid 21   and name HD2 ))
   (( segid "ENHF" and resid 21   and name HB1 ))
      2.800     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.28746E-02 ppm1      3.181 ppm2      1.894 CV     1
 OR {   15}
   (( segid "ENHF" and resid 21   and name HD1 ))
   (( segid "ENHF" and resid 21   and name HB1 ))
 ASSI {   16}
   (( segid "ENHF" and resid 21   and name HD2 ))
   (( segid "ENHF" and resid 21   and name HB2 ))
      2.800     0.800     0.800 peak    16 spectrum    1 weight  0.11000E+01 volume  0.39508E-02 ppm1      3.183 ppm2      1.738 CV     1
 ASSI {   17}
   (( segid "ENHF" and resid 21   and name HD2 ))
   (( segid "ENHF" and resid 21   and name HG1 ))
      2.200     0.500     0.500 peak    17 spectrum    1 weight  0.11000E+01 volume  0.98898E-02 ppm1      3.183 ppm2      1.562 CV     1
 ASSI {   18}
   (( segid "ENHF" and resid 37   and name HB1 ))
   (( segid "ENHF" and resid 37   and name HA  ))
      2.500     0.600     0.600 peak    18 spectrum    1 weight  0.11000E+01 volume  0.42483E-02 ppm1      3.188 ppm2      4.644 CV     1
 ASSI {   21}
   (( segid "ENHF" and resid 4    and name HB2 ))
   (( segid "ENHF" and resid 4    and name HA  ))
      2.700     0.700     0.700 peak    21 spectrum    1 weight  0.11000E+01 volume  0.33531E-02 ppm1      3.134 ppm2      4.767 CV     1
 ASSI {   22}
   (( segid "ENHF" and resid 4    and name HB2 ))
   (( segid "ENHF" and resid 4    and name HB1 ))
      1.700     0.300     0.500 peak    22 spectrum    1 weight  0.11000E+01 volume  0.24960E-01 ppm1      3.136 ppm2      3.374 CV     1
 ASSI {   24}
   (( segid "ENHF" and resid 4    and name HB2 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      3.600     3.600     2.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.52408E-03 ppm1      3.129 ppm2      0.637 CV     1
 ASSI {   25}
   (( segid "ENHF" and resid 33   and name HD1 ))
   (( segid "ENHF" and resid 33   and name HA  ))
      4.000     1.600     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.35937E-03 ppm1      3.113 ppm2      3.996 CV     1
 OR {   25}
   (( segid "ENHF" and resid 33   and name HD2 ))
   (( segid "ENHF" and resid 33   and name HA  ))
 ASSI {   26}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
      2.200     0.500     0.500 peak    26 spectrum    1 weight  0.11000E+01 volume  0.82194E-02 ppm1      3.104 ppm2      1.593 CV     1
 ASSI {   27}
   (( segid "ENHF" and resid 15   and name HB1 ))
   (  segid "ENHF" and resid 15   and name HD% )
      5.200     2.700     0.800 peak    27 spectrum    1 weight  0.11000E+01 volume  0.43114E-04 ppm1      3.104 ppm2      6.639 CV     1
 ASSI {   29}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
      2.300     0.500     0.500 peak    29 spectrum    1 weight  0.11000E+01 volume  0.54822E-02 ppm1      3.108 ppm2      1.823 CV     1
 ASSI {   30}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HA  ))
      4.000     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.64779E-03 ppm1      3.103 ppm2      4.271 CV     1
 OR {   30}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HA  ))
 ASSI {   33}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HB2 ))
      2.300     0.600     0.600 peak    33 spectrum    1 weight  0.11000E+01 volume  0.51210E-02 ppm1      3.106 ppm2      1.723 CV     1
 ASSI {   34}
   (( segid "ENHF" and resid 15   and name HB2 ))
   (  segid "ENHF" and resid 15   and name HD% )
      2.800     0.800     0.800 peak    34 spectrum    1 weight  0.11000E+01 volume  0.28428E-02 ppm1      3.065 ppm2      6.640 CV     1
 ASSI {   35}
   (( segid "ENHF" and resid 15   and name HB1 ))
   (( segid "ENHF" and resid 15   and name HA  ))
      3.300     1.100     1.100 peak    35 spectrum    1 weight  0.11000E+01 volume  0.11822E-02 ppm1      3.066 ppm2      4.115 CV     1
 ASSI {   36}
   (( segid "ENHF" and resid 18   and name HD1 ))
   (( segid "ENHF" and resid 18   and name HA  ))
      4.000     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.63842E-03 ppm1      3.053 ppm2      4.122 CV     1
 OR {   36}
   (( segid "ENHF" and resid 18   and name HD2 ))
   (( segid "ENHF" and resid 18   and name HA  ))
 ASSI {   37}
   (( segid "ENHF" and resid 18   and name HD2 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
      2.400     0.600     0.600 peak    37 spectrum    1 weight  0.11000E+01 volume  0.44293E-02 ppm1      3.054 ppm2      1.618 CV     1
 ASSI {   38}
   (( segid "ENHF" and resid 18   and name HD1 ))
   (( segid "ENHF" and resid 18   and name HG2 ))
      2.600     0.700     0.700 peak    38 spectrum    1 weight  0.11000E+01 volume  0.44296E-02 ppm1      3.053 ppm2      1.520 CV     1
 ASSI {   39}
   (( segid "ENHF" and resid 18   and name HD2 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
      4.800     2.400     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.60026E-04 ppm1      3.058 ppm2      1.413 CV     1
 OR {   39}
   (( segid "ENHF" and resid 18   and name HD1 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
 ASSI {   40}
   (( segid "ENHF" and resid 44   and name HB1 ))
   (( segid "ENHF" and resid 44   and name HB2 ))
      1.800     0.300     0.400 peak    40 spectrum    1 weight  0.11000E+01 volume  0.16722E-01 ppm1      2.986 ppm2      2.844 CV     1
 ASSI {   41}
   (( segid "ENHF" and resid 44   and name HB1 ))
   (  segid "ENHF" and resid 44   and name HD% )
      2.600     0.700     0.700 peak    41 spectrum    1 weight  0.11000E+01 volume  0.27207E-02 ppm1      2.984 ppm2      6.555 CV     1
 ASSI {   43}
   (( segid "ENHF" and resid 19   and name HB1 ))
   (( segid "ENHF" and resid 19   and name HB2 ))
      1.700     0.300     0.500 peak    43 spectrum    1 weight  0.11000E+01 volume  0.26126E-01 ppm1      2.967 ppm2      2.528 CV     1
 ASSI {   51}
   (( segid "ENHF" and resid 37   and name HB2 ))
   (( segid "ENHF" and resid 37   and name HB1 ))
      1.900     0.300     0.300 peak    51 spectrum    1 weight  0.11000E+01 volume  0.16754E-01 ppm1      2.919 ppm2      3.190 CV     1
 ASSI {   63}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 7    and name HB2 ))
      2.700     2.700     3.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.20783E-02 ppm1      2.908 ppm2      2.766 CV     1
 OR {   63}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 7    and name HB2 ))
 OR {   63}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 7    and name HB1 ))
 OR {   63}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 7    and name HB1 ))
 ASSI {   65}
   (( segid "ENHF" and resid 48   and name HB1 ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      1.700     0.300     0.500 peak    65 spectrum    1 weight  0.11000E+01 volume  0.24807E-01 ppm1      2.894 ppm2      2.587 CV     1
 ASSI {   68}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
      2.800     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23343E-02 ppm1      2.897 ppm2      2.300 CV     1
 OR {   68}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {   68}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {   68}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 ASSI {   71}
   (( segid "ENHF" and resid 2    and name HE2 ))
   (( segid "ENHF" and resid 1    and name HG1 ))
      2.900     2.900     3.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.12197E-02 ppm1      2.888 ppm2      2.549 CV     1
 OR {   71}
   (( segid "ENHF" and resid 2    and name HE2 ))
   (( segid "ENHF" and resid 1    and name HG2 ))
 ASSI {   74}
   (( segid "ENHF" and resid 2    and name HE2 ))
   (( segid "ENHF" and resid 2    and name HD2 ))
      2.600     0.700     0.700 peak    74 spectrum    1 weight  0.11000E+01 volume  0.39434E-02 ppm1      2.875 ppm2      1.554 CV     1
 ASSI {   75}
   (( segid "ENHF" and resid 2    and name HE2 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
      3.000     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.18914E-02 ppm1      2.875 ppm2      1.216 CV     1
 OR {   75}
   (( segid "ENHF" and resid 2    and name HE2 ))
   (( segid "ENHF" and resid 2    and name HG2 ))
 OR {   75}
   (( segid "ENHF" and resid 2    and name HE1 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
 ASSI {   76}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 7    and name HA  ))
      2.600     0.700     0.700 peak    76 spectrum    1 weight  0.11000E+01 volume  0.39042E-02 ppm1      2.809 ppm2      4.497 CV     1
 ASSI {   77}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 7    and name HB2 ))
      1.600     0.200     0.600 peak    77 spectrum    1 weight  0.11000E+01 volume  0.51955E-01 ppm1      2.813 ppm2      2.734 CV     1
 ASSI {   79}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 7    and name HA  ))
      2.600     0.700     0.700 peak    79 spectrum    1 weight  0.11000E+01 volume  0.35756E-02 ppm1      2.742 ppm2      4.495 CV     1
 ASSI {   83}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (  segid "ENHF" and resid 30   and name HD% )
      3.200     1.000     1.000 peak    83 spectrum    1 weight  0.11000E+01 volume  0.88829E-03 ppm1      2.736 ppm2      6.440 CV     1
 ASSI {   86}
   (( segid "ENHF" and resid 48   and name HB2 ))
   (  segid "ENHF" and resid 48   and name HD% )
      3.000     0.900     0.900 peak    86 spectrum    1 weight  0.11000E+01 volume  0.16868E-02 ppm1      2.584 ppm2      7.019 CV     1
 ASSI {   88}
   (( segid "ENHF" and resid 48   and name HB2 ))
   (( segid "ENHF" and resid 50   and name HG1 ))
      4.000     4.000     2.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.45885E-03 ppm1      2.576 ppm2      2.417 CV     1
 ASSI {   89}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 47   and name HB1 ))
      4.300     1.800     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.22682E-03 ppm1      2.580 ppm2      1.981 CV     1
 ASSI {   91}
   (( segid "ENHF" and resid 29   and name HG1 ))
   (( segid "ENHF" and resid 29   and name HB2 ))
      2.700     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.33158E-02 ppm1      2.569 ppm2      2.105 CV     1
 ASSI {   96}
   (( segid "ENHF" and resid 46   and name HG1 ))
   (( segid "ENHF" and resid 46   and name HA  ))
      2.900     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.24695E-02 ppm1      2.535 ppm2      4.071 CV     1
 ASSI {   98}
   (( segid "ENHF" and resid 46   and name HG1 ))
   (( segid "ENHF" and resid 46   and name HB1 ))
      2.700     0.700     0.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.44869E-02 ppm1      2.536 ppm2      2.204 CV     1
 ASSI {   99}
   (( segid "ENHF" and resid 46   and name HG1 ))
   (( segid "ENHF" and resid 46   and name HB2 ))
      2.400     0.600     0.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.47814E-02 ppm1      2.537 ppm2      2.133 CV     1
 ASSI {  100}
   (( segid "ENHF" and resid 1    and name HG1 ))
   (( segid "ENHF" and resid 1    and name HB2 ))
      2.300     0.500     0.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.88783E-02 ppm1      2.517 ppm2      2.089 CV     1
 OR {  100}
   (( segid "ENHF" and resid 1    and name HG2 ))
   (( segid "ENHF" and resid 1    and name HB1 ))
 OR {  100}
   (( segid "ENHF" and resid 1    and name HG1 ))
   (( segid "ENHF" and resid 1    and name HB1 ))
 OR {  100}
   (( segid "ENHF" and resid 1    and name HG2 ))
   (( segid "ENHF" and resid 1    and name HB2 ))
 OR {  100}
   (( segid "ENHF" and resid 1    and name HG1 ))
   (  segid "ENHF" and resid 1    and name HE% )
 ASSI {  103}
   (( segid "ENHF" and resid 30   and name HB2 ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      1.800     0.300     0.400 peak   103 spectrum    1 weight  0.11000E+01 volume  0.22872E-01 ppm1      2.437 ppm2      2.738 CV     1
 ASSI {  109}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HG1 ))
      1.800     0.300     0.400 peak   109 spectrum    1 weight  0.11000E+01 volume  0.23580E-01 ppm1      2.356 ppm2      2.531 CV     1
 ASSI {  115}
   (( segid "ENHF" and resid 47   and name HG1 ))
   (( segid "ENHF" and resid 47   and name HB2 ))
      2.400     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.47300E-02 ppm1      2.345 ppm2      1.878 CV     1
 ASSI {  120}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 32   and name HG2 ))
      1.700     0.300     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.37318E-01 ppm1      2.340 ppm2      2.206 CV     1
 ASSI {  123}
   (( segid "ENHF" and resid 26   and name HG2 ))
   (( segid "ENHF" and resid 26   and name HB2 ))
      2.100     0.400     0.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.14384E-01 ppm1      2.332 ppm2      1.935 CV     1
 OR {  123}
   (( segid "ENHF" and resid 26   and name HG1 ))
   (( segid "ENHF" and resid 26   and name HB2 ))
 ASSI {  125}
   (( segid "ENHF" and resid 26   and name HG2 ))
   (( segid "ENHF" and resid 26   and name HA  ))
      2.700     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.37495E-02 ppm1      2.323 ppm2      4.033 CV     1
 OR {  125}
   (( segid "ENHF" and resid 26   and name HG1 ))
   (( segid "ENHF" and resid 26   and name HA  ))
 ASSI {  127}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (( segid "ENHF" and resid 22   and name HG11))
      4.400     1.900     1.600 peak   127 spectrum    1 weight  0.11000E+01 volume  0.19577E-03 ppm1      2.319 ppm2      1.523 CV     1
 ASSI {  128}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (( segid "ENHF" and resid 26   and name HA  ))
      2.800     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.27122E-02 ppm1      2.315 ppm2      4.031 CV     1
 ASSI {  129}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (( segid "ENHF" and resid 26   and name HB2 ))
      1.700     0.300     0.500 peak   129 spectrum    1 weight  0.11000E+01 volume  0.27984E-01 ppm1      2.314 ppm2      1.933 CV     1
 ASSI {  135}
   (( segid "ENHF" and resid 49   and name HG2 ))
   (( segid "ENHF" and resid 49   and name HA  ))
      3.900     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.60543E-03 ppm1      2.267 ppm2      4.092 CV     1
 OR {  135}
   (( segid "ENHF" and resid 49   and name HG1 ))
   (( segid "ENHF" and resid 49   and name HA  ))
 ASSI {  137}
   (( segid "ENHF" and resid 43   and name HB2 ))
   (( segid "ENHF" and resid 43   and name HA  ))
      2.700     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.33729E-02 ppm1      2.272 ppm2      4.079 CV     1
 OR {  137}
   (( segid "ENHF" and resid 43   and name HB1 ))
   (( segid "ENHF" and resid 43   and name HA  ))
 ASSI {  138}
   (( segid "ENHF" and resid 9    and name HB2 ))
   (( segid "ENHF" and resid 9    and name HA  ))
      3.100     1.000     1.000 peak   138 spectrum    1 weight  0.11000E+01 volume  0.10829E-02 ppm1      2.261 ppm2      3.636 CV     1
 ASSI {  139}
   (( segid "ENHF" and resid 9    and name HB2 ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      3.800     1.400     1.400 peak   139 spectrum    1 weight  0.11000E+01 volume  0.37932E-03 ppm1      2.254 ppm2      7.279 CV     1
 ASSI {  140}
   (( segid "ENHF" and resid 9    and name HB1 ))
   (( segid "ENHF" and resid 6    and name HA  ))
      3.100     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.13978E-02 ppm1      2.252 ppm2      4.183 CV     1
 OR {  140}
   (( segid "ENHF" and resid 9    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HA  ))
 ASSI {  142}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 24   and name HB1 ))
      1.800     1.800     4.200 peak   142 spectrum    1 weight  0.11000E+01 volume  0.29354E-01 ppm1      2.228 ppm2      1.984 CV     1
 ASSI {  143}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (( segid "ENHF" and resid 27   and name HB1 ))
      2.900     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.25264E-02 ppm1      2.229 ppm2      1.868 CV     1
 OR {  143}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 27   and name HB1 ))
 ASSI {  144}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      2.800     0.800     0.800 peak   144 spectrum    1 weight  0.11000E+01 volume  0.28934E-02 ppm1      2.225 ppm2      1.760 CV     1
 ASSI {  153}
   (( segid "ENHF" and resid 16   and name HB  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      2.500     0.600     0.600 peak   153 spectrum    1 weight  0.11000E+01 volume  0.42537E-02 ppm1      2.152 ppm2      0.923 CV     1
 ASSI {  154}
   (( segid "ENHF" and resid 8    and name HB  ))
   (( segid "ENHF" and resid 8    and name HA  ))
      2.800     0.800     0.800 peak   154 spectrum    1 weight  0.11000E+01 volume  0.26688E-02 ppm1      2.105 ppm2      3.516 CV     1
 ASSI {  156}
   (( segid "ENHF" and resid 8    and name HB  ))
   (( segid "ENHF" and resid 4    and name HB2 ))
      3.300     1.100     1.100 peak   156 spectrum    1 weight  0.11000E+01 volume  0.73473E-03 ppm1      2.099 ppm2      3.133 CV     1
 ASSI {  160}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 25   and name HB2 ))
      1.900     0.400     0.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.13534E-01 ppm1      2.075 ppm2      1.922 CV     1
 ASSI {  162}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (  segid "ENHF" and resid 40   and name HB% )
      5.700     3.300     0.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.75496E-04 ppm1      2.071 ppm2      1.570 CV     1
 ASSI {  164}
   (( segid "ENHF" and resid 1    and name HB1 ))
   (( segid "ENHF" and resid 1    and name HA  ))
      3.700     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.50279E-03 ppm1      2.092 ppm2      4.082 CV     1
 OR {  164}
   (( segid "ENHF" and resid 1    and name HB2 ))
   (( segid "ENHF" and resid 1    and name HA  ))
 ASSI {  165}
   (( segid "ENHF" and resid 46   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      3.000     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.29105E-02 ppm1      2.207 ppm2      1.751 CV     1
 ASSI {  167}
   (( segid "ENHF" and resid 47   and name HG2 ))
   (( segid "ENHF" and resid 47   and name HG1 ))
      1.800     0.300     0.400 peak   167 spectrum    1 weight  0.11000E+01 volume  0.22073E-01 ppm1      2.074 ppm2      2.342 CV     1
 ASSI {  168}
   (( segid "ENHF" and resid 47   and name HG2 ))
   (( segid "ENHF" and resid 47   and name HB2 ))
      2.600     0.700     0.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.68038E-02 ppm1      2.076 ppm2      1.888 CV     1
 ASSI {  169}
   (( segid "ENHF" and resid 38   and name HB1 ))
   (( segid "ENHF" and resid 38   and name HA  ))
      2.300     0.500     0.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.73816E-02 ppm1      2.044 ppm2      3.831 CV     1
 OR {  169}
   (( segid "ENHF" and resid 38   and name HB2 ))
   (( segid "ENHF" and resid 38   and name HA  ))
 ASSI {  170}
   (( segid "ENHF" and resid 3    and name HB1 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      1.700     0.300     0.500 peak   170 spectrum    1 weight  0.11000E+01 volume  0.29900E-01 ppm1      2.083 ppm2      1.755 CV     1
 ASSI {  180}
   (( segid "ENHF" and resid 32   and name HB2 ))
   (( segid "ENHF" and resid 32   and name HG2 ))
      2.000     0.400     0.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.16445E-01 ppm1      2.003 ppm2      2.199 CV     1
 OR {  180}
   (( segid "ENHF" and resid 32   and name HB1 ))
   (( segid "ENHF" and resid 32   and name HG2 ))
 ASSI {  181}
   (( segid "ENHF" and resid 39   and name HB2 ))
   (  segid "ENHF" and resid 40   and name HB% )
      5.300     2.900     0.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.17723E-03 ppm1      2.000 ppm2      1.600 CV     1
 ASSI {  182}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
      2.300     0.500     0.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.85411E-02 ppm1      1.995 ppm2      1.614 CV     1
 OR {  182}
   (( segid "ENHF" and resid 42   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 ASSI {  183}
   (( segid "ENHF" and resid 42   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HD2 ))
      2.500     0.600     0.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.49157E-02 ppm1      1.992 ppm2      3.245 CV     1
 OR {  183}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HD1 ))
 OR {  183}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HD2 ))
 OR {  183}
   (( segid "ENHF" and resid 42   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HD1 ))
 ASSI {  186}
   (( segid "ENHF" and resid 42   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      1.800     0.300     0.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.29756E-01 ppm1      1.993 ppm2      1.808 CV     1
 OR {  186}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
 ASSI {  187}
   (( segid "ENHF" and resid 24   and name HB2 ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      4.800     2.300     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24056E-03 ppm1      1.999 ppm2      1.609 CV     1
 OR {  187}
   (( segid "ENHF" and resid 24   and name HB1 ))
   (( segid "ENHF" and resid 27   and name HB2 ))
 OR {  187}
   (( segid "ENHF" and resid 24   and name HB2 ))
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  188}
   (( segid "ENHF" and resid 24   and name HB2 ))
   (( segid "ENHF" and resid 24   and name HA  ))
      2.300     0.500     0.500 peak   188 spectrum    1 weight  0.11000E+01 volume  0.65803E-02 ppm1      1.974 ppm2      3.837 CV     1
 ASSI {  189}
   (( segid "ENHF" and resid 24   and name HB1 ))
   (( segid "ENHF" and resid 24   and name HG2 ))
      1.700     0.300     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.43219E-01 ppm1      1.976 ppm2      2.226 CV     1
 OR {  189}
   (( segid "ENHF" and resid 24   and name HB2 ))
   (( segid "ENHF" and resid 24   and name HG1 ))
 OR {  189}
   (( segid "ENHF" and resid 24   and name HB2 ))
   (( segid "ENHF" and resid 24   and name HG2 ))
 OR {  189}
   (( segid "ENHF" and resid 24   and name HB1 ))
   (( segid "ENHF" and resid 24   and name HG1 ))
 ASSI {  190}
   (( segid "ENHF" and resid 13   and name HB1 ))
   (( segid "ENHF" and resid 13   and name HA  ))
      2.900     0.800     0.800 peak   190 spectrum    1 weight  0.11000E+01 volume  0.31534E-02 ppm1      1.961 ppm2      3.875 CV     1
 ASSI {  191}
   (( segid "ENHF" and resid 13   and name HB1 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
      2.300     0.500     0.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.93434E-02 ppm1      1.963 ppm2      1.730 CV     1
 OR {  191}
   (( segid "ENHF" and resid 13   and name HB1 ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 ASSI {  192}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HA  ))
      2.400     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.68051E-02 ppm1      1.935 ppm2      4.076 CV     1
 OR {  192}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 ASSI {  194}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 8    and name HA  ))
      2.700     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.31746E-02 ppm1      1.929 ppm2      3.513 CV     1
 OR {  194}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 8    and name HA  ))
 ASSI {  195}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
      2.500     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.43353E-02 ppm1      1.931 ppm2      1.498 CV     1
 OR {  195}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 ASSI {  196}
   (( segid "ENHF" and resid 26   and name HB2 ))
   (( segid "ENHF" and resid 26   and name HA  ))
      2.900     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.24158E-02 ppm1      1.930 ppm2      4.033 CV     1
 ASSI {  197}
   (( segid "ENHF" and resid 26   and name HB2 ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      1.600     0.300     0.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.46781E-01 ppm1      1.934 ppm2      2.316 CV     1
 OR {  197}
   (( segid "ENHF" and resid 26   and name HB2 ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  200}
   (( segid "ENHF" and resid 21   and name HB1 ))
   (( segid "ENHF" and resid 21   and name HG2 ))
      2.100     0.500     0.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.11812E-01 ppm1      1.891 ppm2      1.554 CV     1
 OR {  200}
   (( segid "ENHF" and resid 21   and name HB1 ))
   (( segid "ENHF" and resid 21   and name HG1 ))
 ASSI {  201}
   (( segid "ENHF" and resid 17   and name HB1 ))
   (( segid "ENHF" and resid 17   and name HA  ))
      2.100     0.500     0.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12564E-01 ppm1      1.900 ppm2      4.014 CV     1
 OR {  201}
   (( segid "ENHF" and resid 17   and name HB2 ))
   (( segid "ENHF" and resid 17   and name HA  ))
 ASSI {  203}
   (( segid "ENHF" and resid 13   and name HB2 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
      2.300     0.500     0.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.70515E-02 ppm1      1.870 ppm2      1.722 CV     1
 OR {  203}
   (( segid "ENHF" and resid 13   and name HB2 ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 ASSI {  204}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (  segid "ENHF" and resid 34   and name HD1%)
      4.100     1.700     1.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.23277E-03 ppm1      1.930 ppm2      0.398 CV     1
 OR {  204}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (  segid "ENHF" and resid 34   and name HD1%)
 ASSI {  206}
   (( segid "ENHF" and resid 25   and name HB2 ))
   (( segid "ENHF" and resid 25   and name HG2 ))
      2.300     2.300     3.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.89666E-02 ppm1      1.926 ppm2      2.242 CV     1
 ASSI {  207}
   (( segid "ENHF" and resid 25   and name HB2 ))
   (( segid "ENHF" and resid 25   and name HA  ))
      2.400     0.600     0.600 peak   207 spectrum    1 weight  0.11000E+01 volume  0.50648E-02 ppm1      1.902 ppm2      4.081 CV     1
 ASSI {  208}
   (( segid "ENHF" and resid 25   and name HB2 ))
   (( segid "ENHF" and resid 25   and name HG1 ))
      2.400     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.58862E-02 ppm1      1.901 ppm2      2.368 CV     1
 ASSI {  210}
   (( segid "ENHF" and resid 22   and name HB  ))
   (( segid "ENHF" and resid 22   and name HG11))
      2.600     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.27761E-02 ppm1      1.880 ppm2      1.527 CV     1
 ASSI {  211}
   (( segid "ENHF" and resid 22   and name HB  ))
   (  segid "ENHF" and resid 22   and name HG2%)
      2.500     0.600     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.41320E-02 ppm1      1.881 ppm2      0.845 CV     1
 ASSI {  212}
   (( segid "ENHF" and resid 22   and name HB  ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      4.000     1.600     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.65091E-03 ppm1      1.878 ppm2      1.667 CV     1
 ASSI {  213}
   (( segid "ENHF" and resid 22   and name HB  ))
   (( segid "ENHF" and resid 22   and name HG12))
      4.200     1.800     1.800 peak   213 spectrum    1 weight  0.11000E+01 volume  0.31084E-03 ppm1      1.876 ppm2      1.242 CV     1
 ASSI {  214}
   (( segid "ENHF" and resid 22   and name HB  ))
   (  segid "ENHF" and resid 22   and name HD1%)
      2.900     0.800     0.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20054E-02 ppm1      1.878 ppm2      0.695 CV     1
 ASSI {  216}
   (( segid "ENHF" and resid 27   and name HB1 ))
   (( segid "ENHF" and resid 27   and name HA  ))
      3.700     1.400     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.57114E-03 ppm1      1.865 ppm2      4.020 CV     1
 ASSI {  218}
   (( segid "ENHF" and resid 27   and name HB1 ))
   (  segid "ENHF" and resid 27   and name HD1%)
      2.600     0.700     0.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.40442E-02 ppm1      1.865 ppm2      0.807 CV     1
 ASSI {  219}
   (( segid "ENHF" and resid 33   and name HB1 ))
   (( segid "ENHF" and resid 33   and name HD1 ))
      3.500     1.200     1.200 peak   219 spectrum    1 weight  0.11000E+01 volume  0.11525E-02 ppm1      1.832 ppm2      3.110 CV     1
 ASSI {  222}
   (( segid "ENHF" and resid 51   and name HB1 ))
   (( segid "ENHF" and resid 51   and name HB2 ))
      1.600     0.300     0.600 peak   222 spectrum    1 weight  0.11000E+01 volume  0.34236E-01 ppm1      1.819 ppm2      1.719 CV     1
 ASSI {  223}
   (( segid "ENHF" and resid 51   and name HB1 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
      2.100     0.400     0.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.13536E-01 ppm1      1.820 ppm2      1.598 CV     1
 OR {  223}
   (( segid "ENHF" and resid 51   and name HB1 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
 ASSI {  224}
   (( segid "ENHF" and resid 41   and name HB  ))
   (( segid "ENHF" and resid 38   and name HA  ))
      2.500     0.600     0.600 peak   224 spectrum    1 weight  0.11000E+01 volume  0.38938E-02 ppm1      1.811 ppm2      3.827 CV     1
 ASSI {  225}
   (( segid "ENHF" and resid 41   and name HB  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      2.100     0.500     0.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.10456E-01 ppm1      1.811 ppm2      0.618 CV     1
 ASSI {  226}
   (( segid "ENHF" and resid 41   and name HB  ))
   (( segid "ENHF" and resid 41   and name HA  ))
      3.400     1.100     1.100 peak   226 spectrum    1 weight  0.11000E+01 volume  0.85047E-03 ppm1      1.807 ppm2      3.466 CV     1
 ASSI {  227}
   (( segid "ENHF" and resid 41   and name HB  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      2.400     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.62419E-02 ppm1      1.809 ppm2      0.514 CV     1
 ASSI {  230}
   (( segid "ENHF" and resid 42   and name HG1 ))
   (( segid "ENHF" and resid 42   and name HB2 ))
      2.000     0.400     0.400 peak   230 spectrum    1 weight  0.11000E+01 volume  0.15032E-01 ppm1      1.796 ppm2      1.995 CV     1
 ASSI {  231}
   (( segid "ENHF" and resid 42   and name HG1 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
      1.800     0.300     0.400 peak   231 spectrum    1 weight  0.11000E+01 volume  0.16622E-01 ppm1      1.795 ppm2      1.614 CV     1
 ASSI {  232}
   (( segid "ENHF" and resid 52   and name HB1 ))
   (( segid "ENHF" and resid 52   and name HB2 ))
      1.500     0.200     0.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.63777E-01 ppm1      1.764 ppm2      1.655 CV     1
 ASSI {  233}
   (( segid "ENHF" and resid 52   and name HB1 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
      2.500     0.600     0.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.38147E-02 ppm1      1.765 ppm2      1.349 CV     1
 ASSI {  234}
   (( segid "ENHF" and resid 33   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HA  ))
      3.600     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.54175E-03 ppm1      1.743 ppm2      3.989 CV     1
 ASSI {  235}
   (( segid "ENHF" and resid 33   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HD2 ))
      2.800     0.800     0.800 peak   235 spectrum    1 weight  0.11000E+01 volume  0.24197E-02 ppm1      1.739 ppm2      3.113 CV     1
 ASSI {  236}
   (( segid "ENHF" and resid 33   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HG2 ))
      1.800     0.300     0.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.21090E-01 ppm1      1.736 ppm2      1.574 CV     1
 ASSI {  237}
   (( segid "ENHF" and resid 3    and name HB2 ))
   (( segid "ENHF" and resid 3    and name HG2 ))
      2.200     0.500     0.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.93054E-02 ppm1      1.753 ppm2      2.222 CV     1
 OR {  237}
   (( segid "ENHF" and resid 3    and name HB2 ))
   (( segid "ENHF" and resid 3    and name HG1 ))
 ASSI {  243}
   (( segid "ENHF" and resid 51   and name HB2 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
      1.900     0.400     0.400 peak   243 spectrum    1 weight  0.10000E+01 volume  0.21756E-01 ppm1      1.720 ppm2      1.600 CV     1
 OR {  243}
   (( segid "ENHF" and resid 51   and name HB2 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 ASSI {  245}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      2.000     2.000     4.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.16443E-01 ppm1      1.732 ppm2      1.876 CV     1
 OR {  245}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 13   and name HB2 ))
 ASSI {  248}
   (( segid "ENHF" and resid 21   and name HB2 ))
   (( segid "ENHF" and resid 21   and name HB1 ))
      1.800     0.300     0.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.23608E-01 ppm1      1.734 ppm2      1.889 CV     1
 ASSI {  249}
   (( segid "ENHF" and resid 21   and name HB2 ))
   (( segid "ENHF" and resid 21   and name HG1 ))
      2.300     0.500     0.500 peak   249 spectrum    1 weight  0.11000E+01 volume  0.64242E-02 ppm1      1.729 ppm2      1.556 CV     1
 ASSI {  253}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HA  ))
      3.300     1.100     1.100 peak   253 spectrum    1 weight  0.11000E+01 volume  0.81272E-03 ppm1      1.725 ppm2      3.879 CV     1
 ASSI {  254}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      2.800     0.800     0.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.40686E-02 ppm1      1.722 ppm2      1.967 CV     1
 ASSI {  255}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      2.300     0.500     0.500 peak   255 spectrum    1 weight  0.11000E+01 volume  0.56601E-02 ppm1      1.724 ppm2      1.846 CV     1
 ASSI {  256}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
      1.900     0.400     0.400 peak   256 spectrum    1 weight  0.11000E+01 volume  0.13783E-01 ppm1      1.724 ppm2      1.337 CV     1
 ASSI {  257}
   (( segid "ENHF" and resid 17   and name HD1 ))
   (( segid "ENHF" and resid 17   and name HA  ))
      3.000     0.900     0.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.17350E-02 ppm1      1.679 ppm2      4.010 CV     1
 OR {  257}
   (( segid "ENHF" and resid 17   and name HD2 ))
   (( segid "ENHF" and resid 17   and name HA  ))
 ASSI {  258}
   (( segid "ENHF" and resid 17   and name HD1 ))
   (( segid "ENHF" and resid 17   and name HE2 ))
      2.500     0.600     0.600 peak   258 spectrum    1 weight  0.11000E+01 volume  0.55901E-02 ppm1      1.682 ppm2      2.914 CV     1
 ASSI {  259}
   (( segid "ENHF" and resid 17   and name HD2 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
      2.200     0.500     0.500 peak   259 spectrum    1 weight  0.11000E+01 volume  0.12523E-01 ppm1      1.674 ppm2      1.434 CV     1
 ASSI {  261}
   (( segid "ENHF" and resid 52   and name HB2 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
      2.600     0.700     0.700 peak   261 spectrum    1 weight  0.11000E+01 volume  0.28577E-02 ppm1      1.660 ppm2      1.362 CV     1
 ASSI {  262}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (( segid "ENHF" and resid 27   and name HA  ))
      2.800     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20313E-02 ppm1      1.644 ppm2      4.019 CV     1
 ASSI {  264}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (( segid "ENHF" and resid 27   and name HB1 ))
      1.700     0.300     0.500 peak   264 spectrum    1 weight  0.11000E+01 volume  0.20502E-01 ppm1      1.642 ppm2      1.862 CV     1
 ASSI {  265}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (( segid "ENHF" and resid 22   and name HG11))
      3.900     1.500     1.500 peak   265 spectrum    1 weight  0.10000E+01 volume  0.10411E-02 ppm1      1.640 ppm2      1.495 CV     1
 ASSI {  268}
   (( segid "ENHF" and resid 11   and name HG1 ))
   (( segid "ENHF" and resid 11   and name HE2 ))
      4.300     1.900     1.700 peak   268 spectrum    1 weight  0.11000E+01 volume  0.20363E-03 ppm1      1.622 ppm2      2.920 CV     1
 ASSI {  270}
   (( segid "ENHF" and resid 52   and name HD2 ))
   (( segid "ENHF" and resid 52   and name HA  ))
      4.500     2.000     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.38035E-03 ppm1      1.624 ppm2      4.089 CV     1
 OR {  270}
   (( segid "ENHF" and resid 52   and name HD1 ))
   (( segid "ENHF" and resid 52   and name HA  ))
 ASSI {  271}
   (( segid "ENHF" and resid 52   and name HD2 ))
   (( segid "ENHF" and resid 52   and name HE1 ))
      2.700     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.30509E-02 ppm1      1.626 ppm2      2.920 CV     1
 OR {  271}
   (( segid "ENHF" and resid 52   and name HD1 ))
   (( segid "ENHF" and resid 52   and name HE2 ))
 OR {  271}
   (( segid "ENHF" and resid 52   and name HD1 ))
   (( segid "ENHF" and resid 52   and name HE1 ))
 OR {  271}
   (( segid "ENHF" and resid 52   and name HD2 ))
   (( segid "ENHF" and resid 52   and name HE2 ))
 ASSI {  273}
   (( segid "ENHF" and resid 52   and name HD1 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
      2.100     0.400     0.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.14278E-01 ppm1      1.616 ppm2      1.353 CV     1
 OR {  273}
   (( segid "ENHF" and resid 52   and name HD2 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 OR {  273}
   (( segid "ENHF" and resid 52   and name HD2 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
 OR {  273}
   (( segid "ENHF" and resid 52   and name HD1 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 ASSI {  274}
   (( segid "ENHF" and resid 18   and name HB1 ))
   (( segid "ENHF" and resid 18   and name HD1 ))
      3.200     1.000     1.000 peak   274 spectrum    1 weight  0.11000E+01 volume  0.92969E-03 ppm1      1.617 ppm2      3.049 CV     1
 ASSI {  275}
   (( segid "ENHF" and resid 18   and name HB1 ))
   (( segid "ENHF" and resid 18   and name HA  ))
      2.700     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.24729E-02 ppm1      1.613 ppm2      4.121 CV     1
 ASSI {  280}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HD2 ))
      2.400     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.42995E-02 ppm1      1.622 ppm2      3.058 CV     1
 OR {  280}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HD1 ))
 ASSI {  283}
   (( segid "ENHF" and resid 27   and name HG  ))
   (  segid "ENHF" and resid 27   and name HD2%)
      3.100     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      1.602 ppm2      0.868 CV     1
 ASSI {  284}
   (( segid "ENHF" and resid 51   and name HG1 ))
   (( segid "ENHF" and resid 51   and name HD2 ))
      2.200     0.500     0.500 peak   284 spectrum    1 weight  0.11000E+01 volume  0.69943E-02 ppm1      1.594 ppm2      3.104 CV     1
 ASSI {  285}
   (( segid "ENHF" and resid 51   and name HG2 ))
   (( segid "ENHF" and resid 51   and name HA  ))
      3.300     1.100     1.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.89318E-03 ppm1      1.600 ppm2      4.271 CV     1
 OR {  285}
   (( segid "ENHF" and resid 51   and name HG1 ))
   (( segid "ENHF" and resid 51   and name HA  ))
 ASSI {  289}
   (( segid "ENHF" and resid 2    and name HD2 ))
   (( segid "ENHF" and resid 2    and name HG2 ))
      2.300     0.500     0.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.81652E-02 ppm1      1.551 ppm2      1.231 CV     1
 OR {  289}
   (( segid "ENHF" and resid 2    and name HD1 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
 OR {  289}
   (( segid "ENHF" and resid 2    and name HD1 ))
   (( segid "ENHF" and resid 2    and name HG2 ))
 OR {  289}
   (( segid "ENHF" and resid 2    and name HD2 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
 ASSI {  290}
   (( segid "ENHF" and resid 21   and name HG2 ))
   (( segid "ENHF" and resid 21   and name HA  ))
      3.100     0.900     0.900 peak   290 spectrum    1 weight  0.11000E+01 volume  0.14010E-02 ppm1      1.565 ppm2      4.420 CV     1
 ASSI {  291}
   (( segid "ENHF" and resid 21   and name HG1 ))
   (( segid "ENHF" and resid 21   and name HD1 ))
      2.900     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.16812E-02 ppm1      1.529 ppm2      3.177 CV     1
 OR {  291}
   (( segid "ENHF" and resid 21   and name HG1 ))
   (( segid "ENHF" and resid 21   and name HD2 ))
 OR {  291}
   (( segid "ENHF" and resid 21   and name HG2 ))
   (( segid "ENHF" and resid 21   and name HD2 ))
 ASSI {  295}
   (( segid "ENHF" and resid 18   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HA  ))
      3.700     1.400     1.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.40302E-03 ppm1      1.518 ppm2      4.122 CV     1
 ASSI {  297}
   (( segid "ENHF" and resid 18   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HA  ))
      3.100     1.000     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.18445E-02 ppm1      1.520 ppm2      4.125 CV     1
 ASSI {  298}
   (( segid "ENHF" and resid 18   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      1.800     0.300     0.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.21955E-01 ppm1      1.519 ppm2      1.612 CV     1
 ASSI {  300}
   (( segid "ENHF" and resid 22   and name HG11))
   (( segid "ENHF" and resid 22   and name HG12))
      1.800     0.300     0.400 peak   300 spectrum    1 weight  0.11000E+01 volume  0.16542E-01 ppm1      1.518 ppm2      1.229 CV     1
 ASSI {  301}
   (( segid "ENHF" and resid 22   and name HG11))
   (  segid "ENHF" and resid 22   and name HG2%)
      3.500     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      1.520 ppm2      0.834 CV     1
 ASSI {  304}
   (( segid "ENHF" and resid 2    and name HB1 ))
   (( segid "ENHF" and resid 2    and name HB2 ))
      1.700     0.300     0.500 peak   304 spectrum    1 weight  0.11000E+01 volume  0.33929E-01 ppm1      1.495 ppm2      1.361 CV     1
 ASSI {  305}
   (( segid "ENHF" and resid 2    and name HB1 ))
   (( segid "ENHF" and resid 2    and name HG2 ))
      2.000     0.400     0.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16556E-01 ppm1      1.491 ppm2      1.227 CV     1
 OR {  305}
   (( segid "ENHF" and resid 2    and name HB1 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
 ASSI {  306}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      1.800     0.300     0.400 peak   306 spectrum    1 weight  0.11000E+01 volume  0.14671E-01 ppm1      1.482 ppm2      1.385 CV     1
 ASSI {  307}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (  segid "ENHF" and resid 34   and name HD2%)
      2.700     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.28122E-02 ppm1      1.484 ppm2      0.534 CV     1
 ASSI {  309}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (( segid "ENHF" and resid 34   and name HG  ))
      2.500     0.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.60206E-02 ppm1      1.480 ppm2      1.225 CV     1
 ASSI {  310}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (  segid "ENHF" and resid 34   and name HD1%)
      2.700     0.700     0.700 peak   310 spectrum    1 weight  0.11000E+01 volume  0.24916E-02 ppm1      1.480 ppm2      0.397 CV     1
 ASSI {  313}
   (( segid "ENHF" and resid 11   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      1.800     0.300     0.400 peak   313 spectrum    1 weight  0.11000E+01 volume  0.17771E-01 ppm1      1.481 ppm2      1.613 CV     1
 ASSI {  314}
   (( segid "ENHF" and resid 11   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HE2 ))
      4.400     1.900     1.600 peak   314 spectrum    1 weight  0.11000E+01 volume  0.18544E-03 ppm1      1.478 ppm2      2.923 CV     1
 ASSI {  315}
   (( segid "ENHF" and resid 22   and name HG11))
   (( segid "ENHF" and resid 26   and name HB1 ))
      4.800     2.300     1.200 peak   315 spectrum    1 weight  0.10000E+01 volume  0.11154E-03 ppm1      1.514 ppm2      2.312 CV     1
 OR {  315}
   (( segid "ENHF" and resid 22   and name HG11))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  315}
   (( segid "ENHF" and resid 22   and name HG11))
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  316}
   (( segid "ENHF" and resid 36   and name HG  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      5.700     5.700     0.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.28471E-04 ppm1      1.474 ppm2      0.515 CV     1
 ASSI {  317}
   (( segid "ENHF" and resid 36   and name HG  ))
   (( segid "ENHF" and resid 36   and name HA  ))
      6.000     3.800     0.000 peak   317 spectrum    1 weight  0.11000E+01 volume  0.27543E-04 ppm1      1.471 ppm2      4.413 CV     1
 ASSI {  318}
   (( segid "ENHF" and resid 36   and name HG  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
      4.500     2.000     1.500 peak   318 spectrum    1 weight  0.11000E+01 volume  0.92286E-04 ppm1      1.465 ppm2      1.252 CV     1
 ASSI {  319}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HE2 ))
      4.400     1.900     1.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.25409E-03 ppm1      1.432 ppm2      2.915 CV     1
 OR {  319}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HE1 ))
 ASSI {  320}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HA  ))
      3.800     1.400     1.400 peak   320 spectrum    1 weight  0.11000E+01 volume  0.62240E-03 ppm1      1.430 ppm2      4.006 CV     1
 ASSI {  321}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
      1.800     0.300     0.400 peak   321 spectrum    1 weight  0.11000E+01 volume  0.21275E-01 ppm1      1.430 ppm2      1.559 CV     1
 ASSI {  322}
   (( segid "ENHF" and resid 36   and name HB1 ))
   (( segid "ENHF" and resid 36   and name HB2 ))
      1.600     0.300     0.600 peak   322 spectrum    1 weight  0.11000E+01 volume  0.25611E-01 ppm1      1.421 ppm2      1.255 CV     1
 ASSI {  323}
   (( segid "ENHF" and resid 36   and name HB1 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      2.700     0.800     0.800 peak   323 spectrum    1 weight  0.11000E+01 volume  0.20153E-02 ppm1      1.422 ppm2      0.616 CV     1
 ASSI {  324}
   (( segid "ENHF" and resid 36   and name HB1 ))
   (  segid "ENHF" and resid 36   and name HD1%)
      2.600     0.700     0.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.31594E-02 ppm1      1.425 ppm2      0.519 CV     1
 ASSI {  326}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 12   and name HG  ))
      2.800     0.800     0.800 peak   326 spectrum    1 weight  0.11000E+01 volume  0.17905E-02 ppm1      1.401 ppm2      1.279 CV     1
 ASSI {  328}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      1.900     0.300     0.300 peak   328 spectrum    1 weight  0.11000E+01 volume  0.13994E-01 ppm1      1.400 ppm2      1.002 CV     1
 ASSI {  330}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (  segid "ENHF" and resid 12   and name HD2%)
      3.300     1.100     1.100 peak   330 spectrum    1 weight  0.11000E+01 volume  0.75913E-03 ppm1      1.396 ppm2     -0.040 CV     1
 ASSI {  332}
   (( segid "ENHF" and resid 2    and name HB2 ))
   (( segid "ENHF" and resid 2    and name HG1 ))
      2.100     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.13460E-01 ppm1      1.362 ppm2      1.226 CV     1
 OR {  332}
   (( segid "ENHF" and resid 2    and name HB2 ))
   (( segid "ENHF" and resid 2    and name HG2 ))
 ASSI {  333}
   (( segid "ENHF" and resid 52   and name HG2 ))
   (( segid "ENHF" and resid 52   and name HB1 ))
      3.000     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.16697E-02 ppm1      1.346 ppm2      1.747 CV     1
 OR {  333}
   (( segid "ENHF" and resid 52   and name HG1 ))
   (( segid "ENHF" and resid 52   and name HB1 ))
 ASSI {  335}
   (( segid "ENHF" and resid 13   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HE1 ))
      3.800     1.400     1.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.37204E-03 ppm1      1.339 ppm2      2.893 CV     1
 OR {  335}
   (( segid "ENHF" and resid 13   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HE2 ))
 ASSI {  336}
   (( segid "ENHF" and resid 13   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      2.700     0.700     0.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.21814E-02 ppm1      1.334 ppm2      1.966 CV     1
 ASSI {  337}
   (( segid "ENHF" and resid 13   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      2.900     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30519E-02 ppm1      1.338 ppm2      1.855 CV     1
 ASSI {  340}
   (  segid "ENHF" and resid 23   and name HG2%)
   (( segid "ENHF" and resid 23   and name HB  ))
      2.200     0.500     0.500 peak   340 spectrum    1 weight  0.11000E+01 volume  0.91240E-02 ppm1      1.324 ppm2      4.713 CV     1
 ASSI {  341}
   (  segid "ENHF" and resid 23   and name HG2%)
   (( segid "ENHF" and resid 23   and name HA  ))
      2.500     0.600     0.600 peak   341 spectrum    1 weight  0.11000E+01 volume  0.52998E-02 ppm1      1.324 ppm2      4.609 CV     1
 ASSI {  346}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (  segid "ENHF" and resid 40   and name HB% )
      4.100     1.700     1.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.80295E-03 ppm1      1.251 ppm2      1.565 CV     1
 ASSI {  349}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (  segid "ENHF" and resid 36   and name HD1%)
      2.900     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.18684E-02 ppm1      1.252 ppm2      0.519 CV     1
 ASSI {  352}
   (( segid "ENHF" and resid 22   and name HG12))
   (  segid "ENHF" and resid 22   and name HG2%)
      2.600     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.28744E-02 ppm1      1.231 ppm2      0.840 CV     1
 ASSI {  354}
   (( segid "ENHF" and resid 22   and name HG12))
   (  segid "ENHF" and resid 22   and name HD1%)
      2.700     0.700     0.700 peak   354 spectrum    1 weight  0.11000E+01 volume  0.24596E-02 ppm1      1.227 ppm2      0.701 CV     1
 ASSI {  356}
   (( segid "ENHF" and resid 12   and name HG  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      2.500     0.600     0.600 peak   356 spectrum    1 weight  0.11000E+01 volume  0.70040E-02 ppm1      1.272 ppm2      1.007 CV     1
 ASSI {  358}
   (( segid "ENHF" and resid 12   and name HG  ))
   (  segid "ENHF" and resid 12   and name HD1%)
      2.800     0.800     0.800 peak   358 spectrum    1 weight  0.11000E+01 volume  0.23936E-02 ppm1      1.266 ppm2      0.249 CV     1
 ASSI {  361}
   (( segid "ENHF" and resid 2    and name HG1 ))
   (( segid "ENHF" and resid 2    and name HA  ))
      3.300     1.100     1.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.10363E-02 ppm1      1.212 ppm2      4.101 CV     1
 OR {  361}
   (( segid "ENHF" and resid 2    and name HG2 ))
   (( segid "ENHF" and resid 2    and name HA  ))
 ASSI {  363}
   (( segid "ENHF" and resid 2    and name HG2 ))
   (( segid "ENHF" and resid 2    and name HB1 ))
      2.100     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.12082E-01 ppm1      1.213 ppm2      1.508 CV     1
 OR {  363}
   (( segid "ENHF" and resid 2    and name HG1 ))
   (( segid "ENHF" and resid 2    and name HD1 ))
 OR {  363}
   (( segid "ENHF" and resid 2    and name HG1 ))
   (( segid "ENHF" and resid 2    and name HB1 ))
 OR {  363}
   (( segid "ENHF" and resid 2    and name HG2 ))
   (( segid "ENHF" and resid 2    and name HD1 ))
 OR {  363}
   (( segid "ENHF" and resid 2    and name HG1 ))
   (( segid "ENHF" and resid 2    and name HD2 ))
 ASSI {  366}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 44   and name HE% )
      3.500     1.200     1.200 peak   366 spectrum    1 weight  0.11000E+01 volume  0.62299E-03 ppm1      1.055 ppm2      6.809 CV     1
 ASSI {  368}
   (  segid "ENHF" and resid 16   and name HG2%)
   (( segid "ENHF" and resid 16   and name HB  ))
      2.200     0.500     0.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.87558E-02 ppm1      1.054 ppm2      2.141 CV     1
 ASSI {  369}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 12   and name HD1%)
      4.500     2.000     1.500 peak   369 spectrum    1 weight  0.11000E+01 volume  0.17733E-03 ppm1      1.055 ppm2      0.249 CV     1
 ASSI {  373}
   (( segid "ENHF" and resid 12   and name HB2 ))
   (  segid "ENHF" and resid 12   and name HD1%)
      2.800     0.800     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.21506E-02 ppm1      0.999 ppm2      0.249 CV     1
 ASSI {  374}
   (( segid "ENHF" and resid 12   and name HB2 ))
   (  segid "ENHF" and resid 12   and name HD2%)
      3.500     1.200     1.200 peak   374 spectrum    1 weight  0.11000E+01 volume  0.69186E-03 ppm1      1.003 ppm2     -0.048 CV     1
 ASSI {  383}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 27   and name HA  ))
      2.700     2.700     3.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.36687E-02 ppm1      0.865 ppm2      4.022 CV     1
 ASSI {  385}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 27   and name HB1 ))
      2.900     0.900     0.900 peak   385 spectrum    1 weight  0.11000E+01 volume  0.15525E-02 ppm1      0.865 ppm2      1.856 CV     1
 ASSI {  386}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 27   and name HG  ))
      2.400     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.59992E-02 ppm1      0.866 ppm2      1.615 CV     1
 OR {  386}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 27   and name HB2 ))
 ASSI {  387}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 41   and name HD1%)
      3.200     3.200     2.800 peak   387 spectrum    1 weight  0.11000E+01 volume  0.15018E-02 ppm1      0.865 ppm2      0.501 CV     1
 ASSI {  389}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 15   and name HD% )
      4.300     1.900     1.700 peak   389 spectrum    1 weight  0.11000E+01 volume  0.19181E-03 ppm1      0.790 ppm2      6.652 CV     1
 OR {  389}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {  390}
   (  segid "ENHF" and resid 27   and name HD1%)
   (( segid "ENHF" and resid 27   and name HA  ))
      3.300     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      0.793 ppm2      4.020 CV     1
 ASSI {  392}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 16   and name HG2%)
      3.200     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.10068E-02 ppm1      0.792 ppm2      1.061 CV     1
 ASSI {  393}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 12   and name HD1%)
      3.600     1.300     1.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.55038E-03 ppm1      0.793 ppm2      0.260 CV     1
 ASSI {  394}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 41   and name HD1%)
      3.500     3.500     2.500 peak   394 spectrum    1 weight  0.11000E+01 volume  0.93790E-03 ppm1      0.788 ppm2      0.494 CV     1
 ASSI {  395}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 8    and name HA  ))
      2.600     0.700     0.700 peak   395 spectrum    1 weight  0.11000E+01 volume  0.30197E-02 ppm1      0.644 ppm2      3.515 CV     1
 ASSI {  396}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 4    and name HB1 ))
      4.500     2.000     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.47872E-03 ppm1      0.649 ppm2      3.384 CV     1
 ASSI {  397}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 4    and name HB2 ))
      3.500     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.90039E-03 ppm1      0.643 ppm2      3.131 CV     1
 ASSI {  398}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 8    and name HB  ))
      2.300     0.500     0.500 peak   398 spectrum    1 weight  0.11000E+01 volume  0.63049E-02 ppm1      0.643 ppm2      2.104 CV     1
 ASSI {  402}
   (  segid "ENHF" and resid 8    and name HG1%)
   (  segid "ENHF" and resid 8    and name HG2%)
      2.200     2.200     3.800 peak   402 spectrum    1 weight  0.11000E+01 volume  0.85241E-02 ppm1      0.643 ppm2      0.956 CV     1
 ASSI {  404}
   (  segid "ENHF" and resid 8    and name HG1%)
   (  segid "ENHF" and resid 34   and name HD1%)
      2.400     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.46345E-02 ppm1      0.642 ppm2      0.398 CV     1
 ASSI {  405}
   (  segid "ENHF" and resid 8    and name HG1%)
   (  segid "ENHF" and resid 12   and name HD1%)
      2.900     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.20700E-02 ppm1      0.642 ppm2      0.284 CV     1
 ASSI {  407}
   (  segid "ENHF" and resid 36   and name HD2%)
   (( segid "ENHF" and resid 36   and name HA  ))
      2.400     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.45883E-02 ppm1      0.613 ppm2      4.423 CV     1
 ASSI {  408}
   (  segid "ENHF" and resid 36   and name HD2%)
   (  segid "ENHF" and resid 40   and name HB% )
      3.100     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.19358E-02 ppm1      0.613 ppm2      1.566 CV     1
 ASSI {  409}
   (  segid "ENHF" and resid 36   and name HD2%)
   (( segid "ENHF" and resid 36   and name HG  ))
      2.300     0.500     0.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.64804E-02 ppm1      0.613 ppm2      1.447 CV     1
 OR {  409}
   (  segid "ENHF" and resid 36   and name HD2%)
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  411}
   (  segid "ENHF" and resid 36   and name HD2%)
   (  segid "ENHF" and resid 12   and name HD1%)
      2.800     2.800     3.200 peak   411 spectrum    1 weight  0.11000E+01 volume  0.17225E-02 ppm1      0.612 ppm2      0.271 CV     1
 ASSI {  412}
   (  segid "ENHF" and resid 36   and name HD2%)
   (  segid "ENHF" and resid 12   and name HD2%)
      3.800     3.800     2.200 peak   412 spectrum    1 weight  0.11000E+01 volume  0.57445E-03 ppm1      0.609 ppm2     -0.040 CV     1
 ASSI {  414}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 11   and name HB1 ))
      3.700     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.32215E-03 ppm1      0.550 ppm2      1.926 CV     1
 OR {  414}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 11   and name HB2 ))
 ASSI {  415}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 33   and name HG2 ))
      3.200     1.000     1.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      0.547 ppm2      1.609 CV     1
 ASSI {  417}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 34   and name HB2 ))
      3.200     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25506E-02 ppm1      0.547 ppm2      1.377 CV     1
 ASSI {  418}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 34   and name HG  ))
      2.500     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.45625E-02 ppm1      0.546 ppm2      1.215 CV     1
 ASSI {  422}
   (  segid "ENHF" and resid 36   and name HD1%)
   (  segid "ENHF" and resid 12   and name HD2%)
      2.900     0.800     0.800 peak   422 spectrum    1 weight  0.11000E+01 volume  0.18105E-02 ppm1      0.515 ppm2     -0.044 CV     1
 ASSI {  423}
   (  segid "ENHF" and resid 34   and name HD1%)
   (  segid "ENHF" and resid 30   and name HE% )
      3.600     1.300     1.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.50540E-03 ppm1      0.394 ppm2      6.345 CV     1
 ASSI {  424}
   (  segid "ENHF" and resid 34   and name HD1%)
   (( segid "ENHF" and resid 8    and name HA  ))
      3.400     1.100     1.100 peak   424 spectrum    1 weight  0.11000E+01 volume  0.88124E-03 ppm1      0.395 ppm2      3.519 CV     1
 ASSI {  425}
   (  segid "ENHF" and resid 34   and name HD1%)
   (( segid "ENHF" and resid 11   and name HB1 ))
      3.200     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.79807E-03 ppm1      0.398 ppm2      1.943 CV     1
 ASSI {  427}
   (  segid "ENHF" and resid 34   and name HD1%)
   (( segid "ENHF" and resid 34   and name HB2 ))
      2.600     0.700     0.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.35399E-02 ppm1      0.395 ppm2      1.378 CV     1
 ASSI {  429}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 30   and name HD% )
      3.400     3.400     2.600 peak   429 spectrum    1 weight  0.11000E+01 volume  0.69242E-03 ppm1      0.250 ppm2      6.451 CV     1
 ASSI {  430}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 30   and name HE% )
      3.700     3.700     2.300 peak   430 spectrum    1 weight  0.11000E+01 volume  0.47383E-03 ppm1      0.248 ppm2      6.349 CV     1
 ASSI {  433}
   (  segid "ENHF" and resid 12   and name HD1%)
   (( segid "ENHF" and resid 12   and name HB1 ))
      3.700     1.300     1.300 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11683E-02 ppm1      0.247 ppm2      1.400 CV     1
 ASSI {  436}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 27   and name HD2%)
      4.100     1.700     1.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.26039E-03 ppm1      0.245 ppm2      0.863 CV     1
 ASSI {  438}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 36   and name HD1%)
      2.800     0.800     0.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.24134E-02 ppm1      0.246 ppm2      0.518 CV     1
 ASSI {  443}
   (( segid "ENHF" and resid 34   and name HB2 ))
   (( segid "ENHF" and resid 34   and name HG  ))
      2.300     0.500     0.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.57953E-02 ppm1      1.381 ppm2      1.222 CV     1
 ASSI {  447}
   (  segid "ENHF" and resid 12   and name HD2%)
   (  segid "ENHF" and resid 8    and name HG1%)
      3.000     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.17425E-02 ppm1     -0.039 ppm2      0.641 CV     1
 ASSI {  448}
   (  segid "ENHF" and resid 12   and name HD2%)
   (  segid "ENHF" and resid 12   and name HD1%)
      2.600     0.700     0.700 peak   448 spectrum    1 weight  0.11000E+01 volume  0.38118E-02 ppm1     -0.040 ppm2      0.245 CV     1
 ASSI {  451}
   (( segid "ENHF" and resid 37   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
      6.000     5.800     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.79985E-05 ppm1      4.644 ppm2      1.314 CV     1
 ASSI {  452}
   (( segid "ENHF" and resid 37   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      5.600     3.200     0.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.39290E-04 ppm1      4.634 ppm2      0.511 CV     1
 ASSI {  454}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 36   and name HA  ))
      4.900     2.400     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.13507E-03 ppm1      1.561 ppm2      4.432 CV     1
 ASSI {  455}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 37   and name HB2 ))
      4.500     2.000     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.10179E-03 ppm1      1.566 ppm2      2.916 CV     1
 ASSI {  457}
   (  segid "ENHF" and resid 40   and name HB% )
   (  segid "ENHF" and resid 8    and name HG2%)
      6.000     6.000     0.000 peak   457 spectrum    1 weight  0.11000E+01 volume  0.81365E-05 ppm1      1.560 ppm2      0.962 CV     1
 ASSI {  459}
   (  segid "ENHF" and resid 40   and name HB% )
   (  segid "ENHF" and resid 36   and name HD1%)
      3.300     1.100     1.100 peak   459 spectrum    1 weight  0.10000E+01 volume  0.86372E-03 ppm1      1.569 ppm2      0.518 CV     1
 ASSI {  460}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 4    and name HZ3 ))
      4.000     4.000     2.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20717E-03 ppm1      1.568 ppm2      7.076 CV     1
 OR {  460}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 4    and name HH2 ))
 ASSI {  461}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 4    and name HE3 ))
      3.800     1.400     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.27986E-03 ppm1      1.565 ppm2      7.443 CV     1
 OR {  461}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 4    and name HZ2 ))
 ASSI {  468}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 41   and name HG12))
      3.600     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.43743E-03 ppm1      1.277 ppm2      1.718 CV     1
 ASSI {  471}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 34   and name HD1%)
      4.700     2.200     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.21963E-03 ppm1      1.278 ppm2      0.389 CV     1
 ASSI {  472}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 12   and name HD1%)
      3.400     3.400     2.600 peak   472 spectrum    1 weight  0.11000E+01 volume  0.85589E-03 ppm1      1.278 ppm2      0.253 CV     1
 ASSI {  473}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 12   and name HD2%)
      4.500     4.500     1.500 peak   473 spectrum    1 weight  0.11000E+01 volume  0.19565E-03 ppm1      1.280 ppm2     -0.024 CV     1
 ASSI {  480}
   (  segid "ENHF" and resid 41   and name HG2%)
   (( segid "ENHF" and resid 41   and name HG12))
      3.700     1.400     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.46311E-03 ppm1      0.622 ppm2      1.699 CV     1
 ASSI {  482}
   (  segid "ENHF" and resid 41   and name HG2%)
   (  segid "ENHF" and resid 31   and name HB% )
      4.200     1.800     1.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.43910E-03 ppm1      0.621 ppm2      1.271 CV     1
 ASSI {  483}
   (  segid "ENHF" and resid 41   and name HG2%)
   (  segid "ENHF" and resid 12   and name HD1%)
      3.200     3.200     2.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.76192E-03 ppm1      0.622 ppm2      0.255 CV     1
 ASSI {  484}
   (  segid "ENHF" and resid 41   and name HG2%)
   (  segid "ENHF" and resid 12   and name HD2%)
      4.400     4.400     1.600 peak   484 spectrum    1 weight  0.11000E+01 volume  0.17360E-03 ppm1      0.622 ppm2     -0.059 CV     1
 ASSI {  485}
   (  segid "ENHF" and resid 22   and name HG2%)
   (  segid "ENHF" and resid 45   and name HE% )
      6.000     6.000     0.000 peak   485 spectrum    1 weight  0.11000E+01 volume  0.76726E-05 ppm1      0.847 ppm2      7.190 CV     1
 ASSI {  486}
   (  segid "ENHF" and resid 22   and name HG2%)
   (  segid "ENHF" and resid 15   and name HD% )
      4.100     1.700     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.26576E-03 ppm1      0.842 ppm2      6.676 CV     1
 OR {  486}
   (  segid "ENHF" and resid 22   and name HG2%)
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {  488}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 27   and name HA  ))
      6.000     3.600     0.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.32721E-04 ppm1      0.852 ppm2      4.001 CV     1
 ASSI {  491}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 26   and name HB1 ))
      5.300     2.800     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.13422E-03 ppm1      0.840 ppm2      2.313 CV     1
 OR {  491}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  493}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 27   and name HB2 ))
      3.600     1.300     1.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.40578E-03 ppm1      0.843 ppm2      1.637 CV     1
 OR {  493}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  497}
   (  segid "ENHF" and resid 22   and name HD1%)
   (  segid "ENHF" and resid 15   and name HE% )
      3.000     0.900     0.900 peak   497 spectrum    1 weight  0.10000E+01 volume  0.15715E-02 ppm1      0.693 ppm2      6.654 CV     1
 OR {  497}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 15   and name HZ  ))
 ASSI {  503}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 26   and name HB1 ))
      4.000     4.000     2.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.27785E-03 ppm1      0.691 ppm2      2.312 CV     1
 OR {  503}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  505}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 27   and name HB2 ))
      3.900     1.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.33990E-03 ppm1      0.691 ppm2      1.638 CV     1
 OR {  505}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  506}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 22   and name HG11))
      2.700     0.700     0.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.26719E-02 ppm1      0.691 ppm2      1.520 CV     1
 ASSI {  508}
   (  segid "ENHF" and resid 22   and name HD1%)
   (  segid "ENHF" and resid 16   and name HG2%)
      4.600     2.100     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23754E-03 ppm1      0.691 ppm2      1.072 CV     1
 ASSI {  510}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 28   and name HA  ))
      3.000     0.900     0.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.13653E-02 ppm1      0.513 ppm2      4.044 CV     1
 ASSI {  513}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 38   and name HG2 ))
      3.900     1.500     1.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.38890E-03 ppm1      0.514 ppm2      2.334 CV     1
 OR {  513}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 38   and name HG1 ))
 ASSI {  517}
   (  segid "ENHF" and resid 41   and name HD1%)
   (  segid "ENHF" and resid 31   and name HB% )
      2.400     0.600     0.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.53166E-02 ppm1      0.514 ppm2      1.275 CV     1
 ASSI {  518}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 41   and name HG11))
      2.900     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.17185E-02 ppm1      0.511 ppm2      1.811 CV     1
 OR {  518}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 41   and name HB  ))
 ASSI {  519}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 41   and name HG12))
      2.400     0.600     0.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.60292E-02 ppm1      0.514 ppm2      1.713 CV     1
 ASSI {  520}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 36   and name HG  ))
      3.700     1.400     1.400 peak   520 spectrum    1 weight  0.10000E+01 volume  0.31069E-03 ppm1      0.512 ppm2      1.480 CV     1
 ASSI {  521}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 36   and name HB1 ))
      3.700     1.400     1.400 peak   521 spectrum    1 weight  0.10000E+01 volume  0.63604E-03 ppm1      0.513 ppm2      1.412 CV     1
 ASSI {  522}
   (( segid "ENHF" and resid 18   and name HD2 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
      4.100     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.15696E-03 ppm1      3.054 ppm2      2.393 CV     1
 OR {  522}
   (( segid "ENHF" and resid 18   and name HD1 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 OR {  522}
   (( segid "ENHF" and resid 18   and name HD1 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
 OR {  522}
   (( segid "ENHF" and resid 18   and name HD2 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
 ASSI {  528}
   (( segid "ENHF" and resid 42   and name HD2 ))
   (( segid "ENHF" and resid 42   and name HA  ))
      5.600     3.100     0.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.97402E-04 ppm1      3.262 ppm2      4.009 CV     1
 OR {  528}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 42   and name HA  ))
 ASSI {  529}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
      2.500     0.600     0.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.49910E-02 ppm1      3.252 ppm2      1.614 CV     1
 OR {  529}
   (( segid "ENHF" and resid 42   and name HD2 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 ASSI {  530}
   (( segid "ENHF" and resid 36   and name HB1 ))
   (( segid "ENHF" and resid 36   and name HA  ))
      3.300     1.100     1.100 peak   530 spectrum    1 weight  0.11000E+01 volume  0.60873E-03 ppm1      1.423 ppm2      4.419 CV     1
 ASSI {  531}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (( segid "ENHF" and resid 36   and name HA  ))
      3.800     1.500     1.500 peak   531 spectrum    1 weight  0.11000E+01 volume  0.52098E-03 ppm1      1.253 ppm2      4.424 CV     1
 ASSI {  532}
   (( segid "ENHF" and resid 36   and name HB1 ))
   (( segid "ENHF" and resid 41   and name HG12))
      3.900     1.600     1.600 peak   532 spectrum    1 weight  0.11000E+01 volume  0.33101E-03 ppm1      1.418 ppm2      1.725 CV     1
 ASSI {  533}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (( segid "ENHF" and resid 41   and name HG12))
      5.400     2.900     0.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.61744E-04 ppm1      1.248 ppm2      1.701 CV     1
 ASSI {  536}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.500     2.000     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.17737E-03 ppm1      1.484 ppm2      0.635 CV     1
 ASSI {  538}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (  segid "ENHF" and resid 34   and name HD2%)
      4.300     1.800     1.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.22262E-03 ppm1      2.926 ppm2      0.540 CV     1
 OR {  538}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (  segid "ENHF" and resid 34   and name HD2%)
 ASSI {  541}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 22   and name HD1%)
      5.600     3.100     0.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.40068E-04 ppm1      1.652 ppm2      0.671 CV     1
 ASSI {  542}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (  segid "ENHF" and resid 44   and name HE% )
      4.900     2.400     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.75120E-04 ppm1      1.410 ppm2      6.810 CV     1
 OR {  542}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
 ASSI {  543}
   (( segid "ENHF" and resid 12   and name HB2 ))
   (  segid "ENHF" and resid 44   and name HE% )
      6.000     5.000     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.22579E-04 ppm1      1.005 ppm2      6.805 CV     1
 OR {  543}
   (( segid "ENHF" and resid 12   and name HB2 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
 ASSI {  544}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (  segid "ENHF" and resid 8    and name HG1%)
      5.800     3.400     0.200 peak   544 spectrum    1 weight  0.10000E+01 volume  0.78729E-04 ppm1      1.403 ppm2      0.688 CV     1
 ASSI {  545}
   (( segid "ENHF" and resid 12   and name HB2 ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.800     2.300     1.200 peak   545 spectrum    1 weight  0.10000E+01 volume  0.66458E-04 ppm1      0.998 ppm2      0.658 CV     1
 ASSI {  546}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 9    and name HG1 ))
      5.900     3.500     0.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.22679E-04 ppm1      1.401 ppm2      2.279 CV     1
 OR {  546}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 9    and name HB2 ))
 OR {  546}
   (( segid "ENHF" and resid 12   and name HB1 ))
   (( segid "ENHF" and resid 9    and name HG2 ))
 ASSI {  547}
   (( segid "ENHF" and resid 22   and name HB  ))
   (( segid "ENHF" and resid 19   and name HB1 ))
      5.100     2.600     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.45546E-04 ppm1      1.885 ppm2      2.966 CV     1
 ASSI {  549}
   (( segid "ENHF" and resid 48   and name HB1 ))
   (( segid "ENHF" and resid 51   and name HD2 ))
      3.500     3.500     2.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.75652E-03 ppm1      2.899 ppm2      3.060 CV     1
 OR {  549}
   (( segid "ENHF" and resid 48   and name HB1 ))
   (( segid "ENHF" and resid 51   and name HD1 ))
 ASSI {  550}
   (( segid "ENHF" and resid 15   and name HB1 ))
   (  segid "ENHF" and resid 30   and name HE% )
      5.200     5.200     0.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.67774E-04 ppm1      3.102 ppm2      6.347 CV     1
 ASSI {  552}
   (( segid "ENHF" and resid 15   and name HB1 ))
   (( segid "ENHF" and resid 12   and name HA  ))
      3.300     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.90527E-03 ppm1      3.104 ppm2      4.012 CV     1
 OR {  552}
   (( segid "ENHF" and resid 15   and name HB2 ))
   (( segid "ENHF" and resid 12   and name HA  ))
 ASSI {  554}
   (( segid "ENHF" and resid 45   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HA  ))
      4.800     2.300     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.31482E-03 ppm1      3.283 ppm2      4.015 CV     1
 ASSI {  555}
   (( segid "ENHF" and resid 44   and name HB1 ))
   (  segid "ENHF" and resid 41   and name HG2%)
      6.000     3.800     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22817E-04 ppm1      3.000 ppm2      0.608 CV     1
 ASSI {  558}
   (( segid "ENHF" and resid 44   and name HB2 ))
   (  segid "ENHF" and resid 44   and name HD% )
      3.500     1.200     1.200 peak   558 spectrum    1 weight  0.11000E+01 volume  0.68383E-03 ppm1      2.847 ppm2      6.569 CV     1
 ASSI {  560}
   (( segid "ENHF" and resid 44   and name HB1 ))
   (( segid "ENHF" and resid 44   and name HA  ))
      3.700     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.60395E-03 ppm1      2.983 ppm2      4.094 CV     1
 ASSI {  567}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 5    and name HB1 ))
      5.400     2.900     0.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.56629E-04 ppm1      2.743 ppm2      4.150 CV     1
 ASSI {  569}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (  segid "ENHF" and resid 15   and name HE% )
      5.500     3.000     0.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.45960E-04 ppm1      2.732 ppm2      6.656 CV     1
 OR {  569}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (  segid "ENHF" and resid 15   and name HD% )
 ASSI {  577}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      6.000     3.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.38990E-04 ppm1      2.302 ppm2      7.276 CV     1
 OR {  577}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (( segid "ENHF" and resid 4    and name HD1 ))
 ASSI {  578}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
      4.800     2.300     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17926E-03 ppm1      2.303 ppm2      6.812 CV     1
 OR {  578}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (  segid "ENHF" and resid 44   and name HE% )
 OR {  578}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
 ASSI {  590}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 3    and name HA  ))
      3.300     1.100     1.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.97790E-03 ppm1      2.228 ppm2      4.200 CV     1
 OR {  590}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 3    and name HA  ))
 ASSI {  591}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (( segid "ENHF" and resid 24   and name HA  ))
      3.000     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.16637E-02 ppm1      2.229 ppm2      3.836 CV     1
 OR {  591}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 24   and name HA  ))
 ASSI {  593}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (  segid "ENHF" and resid 27   and name HD2%)
      6.000     3.800     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.25838E-04 ppm1      2.232 ppm2      0.873 CV     1
 OR {  593}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (  segid "ENHF" and resid 27   and name HD2%)
 ASSI {  594}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 43   and name HB2 ))
      2.600     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.34477E-02 ppm1      2.565 ppm2      2.276 CV     1
 OR {  594}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 43   and name HB1 ))
 ASSI {  597}
   (( segid "ENHF" and resid 52   and name HB2 ))
   (( segid "ENHF" and resid 52   and name HA  ))
      4.700     2.200     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.12685E-03 ppm1      1.657 ppm2      4.085 CV     1
 ASSI {  599}
   (( segid "ENHF" and resid 2    and name HB1 ))
   (( segid "ENHF" and resid 2    and name HA  ))
      5.100     2.600     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.64114E-04 ppm1      1.485 ppm2      4.110 CV     1
 ASSI {  603}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 50   and name HB2 ))
      2.700     0.700     0.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.26707E-02 ppm1      2.386 ppm2      1.998 CV     1
 OR {  603}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 50   and name HB2 ))
 ASSI {  605}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 50   and name HB1 ))
      2.300     0.500     0.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.89775E-02 ppm1      2.389 ppm2      2.110 CV     1
 OR {  605}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 50   and name HB1 ))
 ASSI {  607}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 49   and name HG2 ))
      2.200     0.500     0.500 peak   607 spectrum    1 weight  0.10000E+01 volume  0.11372E-01 ppm1      2.341 ppm2      2.217 CV     1
 OR {  607}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
 OR {  607}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
 ASSI {  614}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.900     2.400     1.100 peak   614 spectrum    1 weight  0.10000E+01 volume  0.98681E-04 ppm1      1.936 ppm2      0.629 CV     1
 OR {  614}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  620}
   (( segid "ENHF" and resid 16   and name HB  ))
   (  segid "ENHF" and resid 48   and name HE% )
      6.000     6.000     0.000 peak   620 spectrum    1 weight  0.11000E+01 volume  0.74720E-05 ppm1      2.140 ppm2      7.245 CV     1
 ASSI {  621}
   (( segid "ENHF" and resid 8    and name HB  ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      6.000     4.400     0.000 peak   621 spectrum    1 weight  0.11000E+01 volume  0.22767E-04 ppm1      2.091 ppm2      7.273 CV     1
 ASSI {  623}
   (( segid "ENHF" and resid 18   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HD1 ))
      3.400     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.71629E-03 ppm1      1.521 ppm2      3.051 CV     1
 OR {  623}
   (( segid "ENHF" and resid 18   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HD2 ))
 ASSI {  628}
   (( segid "ENHF" and resid 4    and name HB1 ))
   (( segid "ENHF" and resid 3    and name HB1 ))
      5.900     3.500     0.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.34351E-04 ppm1      3.379 ppm2      2.094 CV     1
 ASSI {  629}
   (( segid "ENHF" and resid 4    and name HB1 ))
   (  segid "ENHF" and resid 36   and name HD1%)
      6.000     3.600     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.23695E-04 ppm1      3.378 ppm2      0.514 CV     1
 ASSI {  630}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (( segid "ENHF" and resid 22   and name HG12))
      5.600     3.200     0.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.39641E-04 ppm1      2.319 ppm2      1.243 CV     1
 ASSI {  633}
   (( segid "ENHF" and resid 49   and name HB2 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
      3.800     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.40964E-03 ppm1      1.935 ppm2      2.196 CV     1
 OR {  633}
   (( segid "ENHF" and resid 49   and name HB2 ))
   (( segid "ENHF" and resid 49   and name HG2 ))
 ASSI {  634}
   (( segid "ENHF" and resid 3    and name HB2 ))
   (( segid "ENHF" and resid 4    and name HE3 ))
      5.400     3.000     0.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.57795E-04 ppm1      1.758 ppm2      7.436 CV     1
 OR {  634}
   (( segid "ENHF" and resid 3    and name HB2 ))
   (( segid "ENHF" and resid 4    and name HZ2 ))
 ASSI {  635}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
      2.400     0.600     0.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.70764E-02 ppm1      1.715 ppm2      1.341 CV     1
 OR {  635}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
 ASSI {  637}
   (( segid "ENHF" and resid 11   and name HD1 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
      3.500     1.200     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.70156E-03 ppm1      1.558 ppm2      1.937 CV     1
 OR {  637}
   (( segid "ENHF" and resid 11   and name HD1 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {  637}
   (( segid "ENHF" and resid 11   and name HD2 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 OR {  637}
   (( segid "ENHF" and resid 11   and name HD2 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 ASSI {  639}
   (( segid "ENHF" and resid 41   and name HG12))
   (( segid "ENHF" and resid 38   and name HA  ))
      5.700     3.300     0.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.61217E-04 ppm1      1.713 ppm2      3.867 CV     1
 ASSI {  641}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 13   and name HE2 ))
      2.900     0.800     0.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.21123E-02 ppm1      1.728 ppm2      2.890 CV     1
 OR {  641}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 13   and name HE1 ))
 OR {  641}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 13   and name HE2 ))
 OR {  641}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 13   and name HE1 ))
 ASSI {  642}
   (( segid "ENHF" and resid 46   and name HB1 ))
   (( segid "ENHF" and resid 46   and name HA  ))
      2.700     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.38714E-02 ppm1      2.195 ppm2      4.076 CV     1
 ASSI {  645}
   (( segid "ENHF" and resid 32   and name HB2 ))
   (( segid "ENHF" and resid 32   and name HA  ))
      2.400     0.600     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.66803E-02 ppm1      2.005 ppm2      4.032 CV     1
 OR {  645}
   (( segid "ENHF" and resid 32   and name HB1 ))
   (( segid "ENHF" and resid 32   and name HA  ))
 ASSI {  649}
   (( segid "ENHF" and resid 43   and name HB2 ))
   (( segid "ENHF" and resid 40   and name HA  ))
      4.500     2.000     1.500 peak   649 spectrum    1 weight  0.11000E+01 volume  0.26213E-03 ppm1      2.218 ppm2      4.231 CV     1
 ASSI {  652}
   (( segid "ENHF" and resid 43   and name HB1 ))
   (( segid "ENHF" and resid 43   and name HG2 ))
      3.000     0.900     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.15623E-02 ppm1      2.266 ppm2      2.398 CV     1
 OR {  652}
   (( segid "ENHF" and resid 43   and name HB2 ))
   (( segid "ENHF" and resid 43   and name HG2 ))
 ASSI {  655}
   (( segid "ENHF" and resid 22   and name HG12))
   (( segid "ENHF" and resid 26   and name HB1 ))
      5.300     2.800     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.61243E-04 ppm1      1.226 ppm2      2.313 CV     1
 OR {  655}
   (( segid "ENHF" and resid 22   and name HG12))
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  660}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
      4.900     2.400     1.100 peak   660 spectrum    1 weight  0.10000E+01 volume  0.89767E-04 ppm1      1.727 ppm2      6.794 CV     1
 OR {  660}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (  segid "ENHF" and resid 44   and name HE% )
 ASSI {  661}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HE1 ))
      5.000     2.500     1.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.13124E-03 ppm1      1.726 ppm2      2.890 CV     1
 OR {  661}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HE2 ))
 ASSI {  662}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
      6.000     3.700     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.52580E-04 ppm1      1.722 ppm2      2.300 CV     1
 OR {  662}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 ASSI {  664}
   (( segid "ENHF" and resid 34   and name HG  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      2.100     0.500     0.500 peak   664 spectrum    1 weight  0.11000E+01 volume  0.11081E-01 ppm1      1.214 ppm2      0.396 CV     1
 ASSI {  665}
   (  segid "ENHF" and resid 34   and name HD1%)
   (  segid "ENHF" and resid 30   and name HD% )
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12462E-04 ppm1      0.394 ppm2      6.451 CV     1
 ASSI {  669}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HE2 ))
      4.800     2.300     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.91504E-04 ppm1      1.573 ppm2      2.917 CV     1
 OR {  669}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HE1 ))
 ASSI {  671}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HB2 ))
      2.600     0.700     0.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.30910E-02 ppm1      1.429 ppm2      1.894 CV     1
 OR {  671}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 ASSI {  672}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HB2 ))
      2.800     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.26809E-02 ppm1      1.565 ppm2      1.897 CV     1
 OR {  672}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 ASSI {  673}
   (( segid "ENHF" and resid 11   and name HG1 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
      2.600     0.700     0.700 peak   673 spectrum    1 weight  0.11000E+01 volume  0.28312E-02 ppm1      1.627 ppm2      1.933 CV     1
 ASSI {  678}
   (  segid "ENHF" and resid 36   and name HD1%)
   (( segid "ENHF" and resid 36   and name HG  ))
      2.400     0.600     0.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.44171E-02 ppm1      0.515 ppm2      1.440 CV     1
 OR {  678}
   (  segid "ENHF" and resid 36   and name HD1%)
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  680}
   (  segid "ENHF" and resid 36   and name HD1%)
   (  segid "ENHF" and resid 8    and name HG2%)
      6.000     4.200     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.37661E-04 ppm1      0.516 ppm2      0.949 CV     1
 ASSI {  682}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 45   and name HE% )
      5.800     3.300     0.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.33047E-04 ppm1      0.795 ppm2      7.192 CV     1
 ASSI {  683}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 44   and name HE% )
      5.900     3.500     0.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.33574E-04 ppm1      0.796 ppm2      6.812 CV     1
 ASSI {  684}
   (  segid "ENHF" and resid 27   and name HD1%)
   (( segid "ENHF" and resid 24   and name HA  ))
      5.800     3.400     0.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.40920E-04 ppm1      0.794 ppm2      3.837 CV     1
 ASSI {  687}
   (  segid "ENHF" and resid 27   and name HD1%)
   (( segid "ENHF" and resid 24   and name HB2 ))
      5.700     3.200     0.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.42726E-04 ppm1      0.791 ppm2      1.991 CV     1
 OR {  687}
   (  segid "ENHF" and resid 27   and name HD1%)
   (( segid "ENHF" and resid 24   and name HB1 ))
 ASSI {  688}
   (  segid "ENHF" and resid 27   and name HD1%)
   (  segid "ENHF" and resid 12   and name HD2%)
      4.800     2.300     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.10606E-03 ppm1      0.792 ppm2     -0.012 CV     1
 ASSI {  689}
   (( segid "ENHF" and resid 52   and name HG2 ))
   (( segid "ENHF" and resid 52   and name HA  ))
      5.100     2.600     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.96681E-04 ppm1      1.336 ppm2      4.089 CV     1
 OR {  689}
   (( segid "ENHF" and resid 52   and name HG1 ))
   (( segid "ENHF" and resid 52   and name HA  ))
 ASSI {  691}
   (  segid "ENHF" and resid 12   and name HD2%)
   (( segid "ENHF" and resid 12   and name HG  ))
      5.600     5.600     0.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.36896E-04 ppm1     -0.043 ppm2      1.273 CV     1
 ASSI {  693}
   (  segid "ENHF" and resid 12   and name HD2%)
   (  segid "ENHF" and resid 27   and name HD2%)
      5.000     2.500     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.81504E-04 ppm1     -0.042 ppm2      0.852 CV     1
 ASSI {  694}
   (  segid "ENHF" and resid 12   and name HD2%)
   (  segid "ENHF" and resid 34   and name HD1%)
      5.700     3.300     0.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.63474E-04 ppm1     -0.038 ppm2      0.384 CV     1
 ASSI {  695}
   (  segid "ENHF" and resid 12   and name HD2%)
   (  segid "ENHF" and resid 44   and name HD% )
      5.900     3.500     0.100 peak   695 spectrum    1 weight  0.11000E+01 volume  0.26791E-04 ppm1     -0.041 ppm2      6.581 CV     1
 ASSI {  696}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 30   and name HB2 ))
      6.000     4.700     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.26478E-04 ppm1      0.866 ppm2      2.430 CV     1
 ASSI {  697}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 24   and name HB2 ))
      5.800     3.400     0.200 peak   697 spectrum    1 weight  0.10000E+01 volume  0.38676E-04 ppm1      0.866 ppm2      1.996 CV     1
 OR {  697}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 24   and name HB1 ))
 ASSI {  702}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 15   and name HD% )
      3.700     3.700     2.300 peak   702 spectrum    1 weight  0.11000E+01 volume  0.52812E-03 ppm1      0.865 ppm2      6.654 CV     1
 OR {  702}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {  703}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 45   and name HD% )
      6.000     6.000     0.000 peak   703 spectrum    1 weight  0.11000E+01 volume  0.23983E-04 ppm1      0.864 ppm2      7.365 CV     1
 ASSI {  704}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 45   and name HE% )
      5.200     2.700     0.800 peak   704 spectrum    1 weight  0.11000E+01 volume  0.55413E-04 ppm1      0.863 ppm2      7.165 CV     1
 ASSI {  706}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 15   and name HD% )
      5.900     3.400     0.100 peak   706 spectrum    1 weight  0.10000E+01 volume  0.28534E-04 ppm1      0.246 ppm2      6.661 CV     1
 ASSI {  707}
   (  segid "ENHF" and resid 12   and name HD1%)
   (  segid "ENHF" and resid 44   and name HD% )
      5.100     5.100     0.900 peak   707 spectrum    1 weight  0.11000E+01 volume  0.10062E-03 ppm1      0.252 ppm2      6.568 CV     1
 ASSI {  709}
   (  segid "ENHF" and resid 8    and name HG2%)
   (  segid "ENHF" and resid 34   and name HD1%)
      3.600     1.300     1.300 peak   709 spectrum    1 weight  0.11000E+01 volume  0.66390E-03 ppm1      0.956 ppm2      0.401 CV     1
 ASSI {  710}
   (  segid "ENHF" and resid 8    and name HG2%)
   (( segid "ENHF" and resid 34   and name HB2 ))
      5.400     2.900     0.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.11666E-03 ppm1      0.955 ppm2      1.393 CV     1
 ASSI {  711}
   (  segid "ENHF" and resid 8    and name HG2%)
   (( segid "ENHF" and resid 8    and name HB  ))
      2.400     0.600     0.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.48638E-02 ppm1      0.956 ppm2      2.103 CV     1
 ASSI {  712}
   (  segid "ENHF" and resid 8    and name HG2%)
   (( segid "ENHF" and resid 8    and name HA  ))
      2.600     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.35309E-02 ppm1      0.956 ppm2      3.518 CV     1
 ASSI {  713}
   (  segid "ENHF" and resid 8    and name HG2%)
   (( segid "ENHF" and resid 4    and name HB1 ))
      6.000     4.100     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.75058E-04 ppm1      0.960 ppm2      3.387 CV     1
 ASSI {  714}
   (  segid "ENHF" and resid 16   and name HG2%)
   (( segid "ENHF" and resid 45   and name HZ  ))
      5.600     3.100     0.400 peak   714 spectrum    1 weight  0.10000E+01 volume  0.41547E-04 ppm1      1.051 ppm2      7.049 CV     1
 ASSI {  715}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 15   and name HD% )
      4.100     1.700     1.700 peak   715 spectrum    1 weight  0.11000E+01 volume  0.28060E-03 ppm1      1.051 ppm2      6.643 CV     1
 ASSI {  717}
   (  segid "ENHF" and resid 16   and name HG2%)
   (( segid "ENHF" and resid 13   and name HA  ))
      3.300     1.100     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      1.055 ppm2      3.876 CV     1
 ASSI {  718}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 12   and name HD2%)
      4.800     2.300     1.200 peak   718 spectrum    1 weight  0.11000E+01 volume  0.16273E-03 ppm1      1.054 ppm2     -0.043 CV     1
 ASSI {  723}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 4    and name HE3 ))
      6.000     3.800     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.24785E-04 ppm1      0.640 ppm2      7.435 CV     1
 ASSI {  724}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 4    and name HD1 ))
      6.000     6.000     0.000 peak   724 spectrum    1 weight  0.11000E+01 volume  0.31054E-04 ppm1      0.647 ppm2      7.271 CV     1
 ASSI {  725}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 12   and name HD1%)
      5.800     5.800     0.200 peak   725 spectrum    1 weight  0.11000E+01 volume  0.58158E-04 ppm1      0.914 ppm2      0.271 CV     1
 ASSI {  727}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 48   and name HD% )
      5.200     2.700     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.70231E-04 ppm1      0.924 ppm2      7.029 CV     1
 ASSI {  728}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 44   and name HE% )
      6.000     4.100     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.17840E-04 ppm1      0.923 ppm2      6.791 CV     1
 ASSI {  729}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 15   and name HD% )
      6.000     4.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.30991E-04 ppm1      0.920 ppm2      6.640 CV     1
 OR {  729}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {  731}
   (  segid "ENHF" and resid 23   and name HG2%)
   (( segid "ENHF" and resid 26   and name HB1 ))
      5.900     3.500     0.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.47314E-04 ppm1      1.319 ppm2      2.329 CV     1
 OR {  731}
   (  segid "ENHF" and resid 23   and name HG2%)
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  731}
   (  segid "ENHF" and resid 23   and name HG2%)
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  734}
   (( segid "ENHF" and resid 23   and name HB  ))
   (( segid "ENHF" and resid 22   and name HA  ))
      6.000     3.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.72125E-04 ppm1      4.714 ppm2      4.383 CV     1
 ASSI {  742}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 34   and name HG  ))
      6.000     5.900     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.16436E-04 ppm1      3.515 ppm2      1.174 CV     1
 ASSI {  744}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      3.700     1.400     1.400 peak   744 spectrum    1 weight  0.10000E+01 volume  0.66591E-03 ppm1      3.517 ppm2      1.589 CV     1
 OR {  744}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 11   and name HD1 ))
 OR {  744}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 11   and name HD2 ))
 ASSI {  745}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 11   and name HB2 ))
      2.900     2.900     3.100 peak   745 spectrum    1 weight  0.11000E+01 volume  0.29668E-02 ppm1      3.516 ppm2      1.942 CV     1
 ASSI {  747}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 22   and name HD1%)
      4.300     1.900     1.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.57039E-03 ppm1      3.573 ppm2      0.692 CV     1
 ASSI {  748}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 22   and name HG2%)
      4.100     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.24520E-03 ppm1      3.573 ppm2      0.832 CV     1
 ASSI {  749}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 16   and name HG2%)
      2.600     0.700     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.41039E-02 ppm1      3.572 ppm2      1.052 CV     1
 ASSI {  750}
   (( segid "ENHF" and resid 16   and name HA  ))
   (( segid "ENHF" and resid 16   and name HB  ))
      2.900     0.800     0.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.22513E-02 ppm1      3.572 ppm2      2.141 CV     1
 ASSI {  751}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      2.600     0.700     0.700 peak   751 spectrum    1 weight  0.11000E+01 volume  0.39101E-02 ppm1      3.572 ppm2      0.922 CV     1
 ASSI {  752}
   (( segid "ENHF" and resid 16   and name HA  ))
   (( segid "ENHF" and resid 19   and name HB2 ))
      5.100     2.600     0.900 peak   752 spectrum    1 weight  0.11000E+01 volume  0.63136E-04 ppm1      3.570 ppm2      2.532 CV     1
 ASSI {  754}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 15   and name HD% )
      4.200     1.800     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.26306E-03 ppm1      3.570 ppm2      6.659 CV     1
 OR {  754}
   (( segid "ENHF" and resid 16   and name HA  ))
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {  755}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 44   and name HB1 ))
      3.300     1.100     1.100 peak   755 spectrum    1 weight  0.11000E+01 volume  0.10170E-02 ppm1      3.469 ppm2      2.989 CV     1
 ASSI {  756}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 44   and name HB2 ))
      4.200     1.700     1.700 peak   756 spectrum    1 weight  0.11000E+01 volume  0.20608E-03 ppm1      3.467 ppm2      2.847 CV     1
 ASSI {  757}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 41   and name HG11))
      3.400     1.200     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.88310E-03 ppm1      3.469 ppm2      1.809 CV     1
 OR {  757}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 41   and name HB  ))
 ASSI {  758}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 41   and name HG12))
      3.400     1.200     1.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.62677E-03 ppm1      3.465 ppm2      1.717 CV     1
 ASSI {  759}
   (( segid "ENHF" and resid 41   and name HA  ))
   (  segid "ENHF" and resid 40   and name HB% )
      6.000     4.300     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.17326E-04 ppm1      3.468 ppm2      1.582 CV     1
 ASSI {  761}
   (( segid "ENHF" and resid 41   and name HA  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      2.400     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.57328E-02 ppm1      3.469 ppm2      0.613 CV     1
 ASSI {  762}
   (( segid "ENHF" and resid 41   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      3.500     1.200     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10839E-02 ppm1      3.469 ppm2      0.521 CV     1
 ASSI {  763}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 9    and name HB2 ))
      2.200     0.500     0.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      3.636 ppm2      2.281 CV     1
 OR {  763}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
 OR {  763}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 9    and name HG2 ))
 ASSI {  765}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 12   and name HB1 ))
      3.300     1.100     1.100 peak   765 spectrum    1 weight  0.10000E+01 volume  0.83977E-03 ppm1      3.635 ppm2      1.398 CV     1
 ASSI {  766}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 12   and name HG  ))
      5.900     3.400     0.100 peak   766 spectrum    1 weight  0.10000E+01 volume  0.62108E-04 ppm1      3.637 ppm2      1.272 CV     1
 ASSI {  767}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      4.100     1.700     1.700 peak   767 spectrum    1 weight  0.11000E+01 volume  0.26081E-03 ppm1      3.637 ppm2      1.002 CV     1
 ASSI {  768}
   (( segid "ENHF" and resid 9    and name HA  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.400     1.900     1.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17791E-03 ppm1      3.634 ppm2      0.641 CV     1
 ASSI {  769}
   (( segid "ENHF" and resid 9    and name HA  ))
   (  segid "ENHF" and resid 12   and name HD2%)
      3.700     1.400     1.400 peak   769 spectrum    1 weight  0.11000E+01 volume  0.46909E-03 ppm1      3.637 ppm2     -0.050 CV     1
 ASSI {  770}
   (( segid "ENHF" and resid 9    and name HA  ))
   (  segid "ENHF" and resid 44   and name HE% )
      4.800     2.300     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.94643E-04 ppm1      3.631 ppm2      6.805 CV     1
 OR {  770}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 44   and name HZ  ))
 ASSI {  771}
   (( segid "ENHF" and resid 31   and name HA  ))
   (( segid "ENHF" and resid 34   and name HB1 ))
      3.900     1.500     1.500 peak   771 spectrum    1 weight  0.11000E+01 volume  0.98960E-03 ppm1      3.520 ppm2      1.484 CV     1
 ASSI {  773}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
      2.200     0.500     0.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.96798E-02 ppm1      3.523 ppm2      1.273 CV     1
 ASSI {  775}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      3.400     3.400     2.600 peak   775 spectrum    1 weight  0.11000E+01 volume  0.78830E-03 ppm1      3.524 ppm2      0.394 CV     1
 ASSI {  776}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 12   and name HD1%)
      3.800     1.500     1.500 peak   776 spectrum    1 weight  0.11000E+01 volume  0.38325E-03 ppm1      3.519 ppm2      0.254 CV     1
 ASSI {  778}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      2.900     0.900     0.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17246E-02 ppm1      3.523 ppm2      0.513 CV     1
 ASSI {  779}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 5    and name HA  ))
      2.400     0.600     0.600 peak   779 spectrum    1 weight  0.11000E+01 volume  0.62146E-02 ppm1      3.930 ppm2      4.406 CV     1
 ASSI {  781}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 5    and name HB1 ))
      1.700     0.300     0.500 peak   781 spectrum    1 weight  0.11000E+01 volume  0.24818E-01 ppm1      3.931 ppm2      4.164 CV     1
 ASSI {  784}
   (( segid "ENHF" and resid 5    and name HB1 ))
   (( segid "ENHF" and resid 5    and name HA  ))
      2.200     0.500     0.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.91473E-02 ppm1      4.164 ppm2      4.404 CV     1
 ASSI {  789}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 35   and name HA2 ))
      6.000     5.600     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.14831E-04 ppm1      3.928 ppm2      3.697 CV     1
 ASSI {  790}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 7    and name HA  ))
      6.000     4.700     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.27305E-04 ppm1      3.924 ppm2      4.523 CV     1
 ASSI {  791}
   (( segid "ENHF" and resid 15   and name HA  ))
   (  segid "ENHF" and resid 15   and name HD% )
      2.700     0.700     0.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.28698E-02 ppm1      4.113 ppm2      6.638 CV     1
 ASSI {  792}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      2.100     0.500     0.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11888E-01 ppm1      4.114 ppm2      3.073 CV     1
 OR {  792}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 15   and name HB1 ))
 ASSI {  795}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 19   and name HD2 ))
      4.400     1.900     1.600 peak   795 spectrum    1 weight  0.11000E+01 volume  0.19680E-03 ppm1      4.112 ppm2      6.847 CV     1
 ASSI {  796}
   (( segid "ENHF" and resid 44   and name HA  ))
   (  segid "ENHF" and resid 48   and name HD% )
      3.000     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      4.099 ppm2      7.038 CV     1
 ASSI {  797}
   (( segid "ENHF" and resid 44   and name HA  ))
   (( segid "ENHF" and resid 44   and name HB2 ))
      2.400     0.600     0.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.56607E-02 ppm1      4.101 ppm2      2.841 CV     1
 ASSI {  800}
   (( segid "ENHF" and resid 30   and name HA  ))
   (( segid "ENHF" and resid 33   and name HD1 ))
      5.000     2.500     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.13179E-03 ppm1      4.007 ppm2      3.114 CV     1
 OR {  800}
   (( segid "ENHF" and resid 30   and name HA  ))
   (( segid "ENHF" and resid 33   and name HD2 ))
 ASSI {  803}
   (( segid "ENHF" and resid 30   and name HA  ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      2.500     0.600     0.600 peak   803 spectrum    1 weight  0.11000E+01 volume  0.61380E-02 ppm1      4.003 ppm2      2.737 CV     1
 ASSI {  804}
   (( segid "ENHF" and resid 30   and name HA  ))
   (( segid "ENHF" and resid 30   and name HB2 ))
      2.800     0.800     0.800 peak   804 spectrum    1 weight  0.11000E+01 volume  0.19489E-02 ppm1      4.004 ppm2      2.432 CV     1
 ASSI {  805}
   (( segid "ENHF" and resid 30   and name HA  ))
   (( segid "ENHF" and resid 33   and name HB1 ))
      2.600     0.700     0.700 peak   805 spectrum    1 weight  0.11000E+01 volume  0.32352E-02 ppm1      4.005 ppm2      1.830 CV     1
 ASSI {  806}
   (( segid "ENHF" and resid 45   and name HA  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      3.100     1.000     1.000 peak   806 spectrum    1 weight  0.11000E+01 volume  0.10065E-02 ppm1      4.196 ppm2      2.578 CV     1
 ASSI {  807}
   (( segid "ENHF" and resid 45   and name HA  ))
   (  segid "ENHF" and resid 45   and name HD% )
      2.700     0.700     0.700 peak   807 spectrum    1 weight  0.11000E+01 volume  0.36889E-02 ppm1      4.191 ppm2      7.362 CV     1
 ASSI {  808}
   (( segid "ENHF" and resid 45   and name HA  ))
   (  segid "ENHF" and resid 48   and name HE% )
      4.700     2.200     1.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.14560E-03 ppm1      4.194 ppm2      7.244 CV     1
 ASSI {  809}
   (( segid "ENHF" and resid 45   and name HA  ))
   (  segid "ENHF" and resid 44   and name HD% )
      6.000     3.700     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.25838E-04 ppm1      4.194 ppm2      6.561 CV     1
 ASSI {  810}
   (( segid "ENHF" and resid 45   and name HA  ))
   (( segid "ENHF" and resid 45   and name HB1 ))
      2.300     0.500     0.500 peak   810 spectrum    1 weight  0.11000E+01 volume  0.74772E-02 ppm1      4.191 ppm2      3.271 CV     1
 ASSI {  811}
   (( segid "ENHF" and resid 45   and name HA  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.11000E+01 volume  0.41071E-04 ppm1      4.194 ppm2      2.893 CV     1
 ASSI {  813}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      4.900     2.400     1.100 peak   813 spectrum    1 weight  0.10000E+01 volume  0.16883E-03 ppm1      4.389 ppm2      2.322 CV     1
 OR {  813}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  813}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  814}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 22   and name HB  ))
      2.400     0.600     0.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.58559E-02 ppm1      4.387 ppm2      1.879 CV     1
 ASSI {  815}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 21   and name HB2 ))
      5.100     2.600     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.82202E-04 ppm1      4.389 ppm2      1.747 CV     1
 ASSI {  816}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 22   and name HG11))
      2.400     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.46632E-02 ppm1      4.386 ppm2      1.524 CV     1
 ASSI {  817}
   (( segid "ENHF" and resid 22   and name HA  ))
   (  segid "ENHF" and resid 23   and name HG2%)
      5.200     2.700     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.14744E-03 ppm1      4.389 ppm2      1.319 CV     1
 ASSI {  818}
   (( segid "ENHF" and resid 22   and name HA  ))
   (  segid "ENHF" and resid 22   and name HG2%)
      2.800     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.39992E-02 ppm1      4.386 ppm2      0.843 CV     1
 ASSI {  819}
   (( segid "ENHF" and resid 22   and name HA  ))
   (  segid "ENHF" and resid 22   and name HD1%)
      3.800     1.400     1.400 peak   819 spectrum    1 weight  0.11000E+01 volume  0.11287E-02 ppm1      4.387 ppm2      0.701 CV     1
 ASSI {  820}
   (( segid "ENHF" and resid 22   and name HA  ))
   (( segid "ENHF" and resid 22   and name HG12))
      3.400     1.200     1.200 peak   820 spectrum    1 weight  0.11000E+01 volume  0.13038E-02 ppm1      4.385 ppm2      1.225 CV     1
 ASSI {  821}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 44   and name HZ  ))
      3.800     1.500     1.500 peak   821 spectrum    1 weight  0.10000E+01 volume  0.36815E-03 ppm1      3.874 ppm2      6.805 CV     1
 OR {  821}
   (( segid "ENHF" and resid 13   and name HA  ))
   (  segid "ENHF" and resid 44   and name HE% )
 ASSI {  823}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      2.400     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.46135E-02 ppm1      3.871 ppm2      1.862 CV     1
 ASSI {  824}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 13   and name HG1 ))
      2.700     0.700     0.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.29970E-02 ppm1      3.872 ppm2      1.730 CV     1
 OR {  824}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 ASSI {  825}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 13   and name HG2 ))
      2.600     0.700     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.45305E-02 ppm1      3.873 ppm2      1.339 CV     1
 ASSI {  826}
   (( segid "ENHF" and resid 13   and name HA  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      3.700     1.400     1.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.81512E-03 ppm1      3.871 ppm2      0.925 CV     1
 ASSI {  827}
   (( segid "ENHF" and resid 23   and name HA  ))
   (( segid "ENHF" and resid 23   and name HB  ))
      2.200     0.500     0.500 peak   827 spectrum    1 weight  0.11000E+01 volume  0.97681E-02 ppm1      4.609 ppm2      4.709 CV     1
 ASSI {  829}
   (( segid "ENHF" and resid 23   and name HA  ))
   (( segid "ENHF" and resid 22   and name HG11))
      5.300     2.800     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11123E-03 ppm1      4.605 ppm2      1.541 CV     1
 ASSI {  830}
   (( segid "ENHF" and resid 23   and name HA  ))
   (( segid "ENHF" and resid 24   and name HA  ))
      3.100     3.100     2.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.18940E-02 ppm1      4.613 ppm2      3.848 CV     1
 ASSI {  831}
   (( segid "ENHF" and resid 23   and name HA  ))
   (( segid "ENHF" and resid 24   and name HG1 ))
      6.000     6.000     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.88760E-05 ppm1      4.608 ppm2      2.256 CV     1
 OR {  831}
   (( segid "ENHF" and resid 23   and name HA  ))
   (( segid "ENHF" and resid 24   and name HG2 ))
 ASSI {  832}
   (( segid "ENHF" and resid 42   and name HA  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      3.800     1.500     1.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.39001E-03 ppm1      4.022 ppm2      0.610 CV     1
 ASSI {  834}
   (( segid "ENHF" and resid 42   and name HA  ))
   (( segid "ENHF" and resid 42   and name HB2 ))
      2.200     0.500     0.500 peak   834 spectrum    1 weight  0.11000E+01 volume  0.98821E-02 ppm1      4.014 ppm2      1.998 CV     1
 ASSI {  835}
   (( segid "ENHF" and resid 42   and name HA  ))
   (( segid "ENHF" and resid 42   and name HG2 ))
      2.900     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.24562E-02 ppm1      4.014 ppm2      1.612 CV     1
 ASSI {  836}
   (( segid "ENHF" and resid 38   and name HA  ))
   (( segid "ENHF" and resid 38   and name HB1 ))
      2.200     0.500     0.500 peak   836 spectrum    1 weight  0.11000E+01 volume  0.85326E-02 ppm1      3.829 ppm2      2.047 CV     1
 ASSI {  837}
   (( segid "ENHF" and resid 38   and name HA  ))
   (( segid "ENHF" and resid 41   and name HB  ))
      2.400     0.600     0.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.49811E-02 ppm1      3.831 ppm2      1.810 CV     1
 OR {  837}
   (( segid "ENHF" and resid 38   and name HA  ))
   (( segid "ENHF" and resid 41   and name HG11))
 ASSI {  838}
   (( segid "ENHF" and resid 38   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
      3.700     1.400     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.13241E-02 ppm1      3.833 ppm2      1.284 CV     1
 ASSI {  839}
   (( segid "ENHF" and resid 38   and name HA  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      3.700     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      3.831 ppm2      0.616 CV     1
 ASSI {  840}
   (( segid "ENHF" and resid 38   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      2.600     0.700     0.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.31296E-02 ppm1      3.828 ppm2      0.512 CV     1
 ASSI {  841}
   (( segid "ENHF" and resid 42   and name HA  ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      2.700     0.700     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.28575E-02 ppm1      4.016 ppm2      1.801 CV     1
 ASSI {  842}
   (( segid "ENHF" and resid 42   and name HA  ))
   (  segid "ENHF" and resid 45   and name HD% )
      3.900     3.900     2.100 peak   842 spectrum    1 weight  0.11000E+01 volume  0.37621E-03 ppm1      4.016 ppm2      7.361 CV     1
 ASSI {  843}
   (( segid "ENHF" and resid 38   and name HA  ))
   (( segid "ENHF" and resid 38   and name HG2 ))
      2.700     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.34095E-02 ppm1      3.828 ppm2      2.354 CV     1
 OR {  843}
   (( segid "ENHF" and resid 38   and name HA  ))
   (( segid "ENHF" and resid 38   and name HG1 ))
 ASSI {  844}
   (( segid "ENHF" and resid 25   and name HA  ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      2.600     0.700     0.700 peak   844 spectrum    1 weight  0.11000E+01 volume  0.57050E-02 ppm1      4.096 ppm2      2.076 CV     1
 ASSI {  847}
   (( segid "ENHF" and resid 28   and name HA  ))
   (( segid "ENHF" and resid 28   and name HD2 ))
      3.400     1.200     1.200 peak   847 spectrum    1 weight  0.10000E+01 volume  0.11255E-02 ppm1      4.080 ppm2      7.162 CV     1
 ASSI {  848}
   (( segid "ENHF" and resid 28   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
      2.600     0.700     0.700 peak   848 spectrum    1 weight  0.11000E+01 volume  0.30269E-02 ppm1      4.076 ppm2      1.279 CV     1
 ASSI {  849}
   (( segid "ENHF" and resid 28   and name HA  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      3.000     0.900     0.900 peak   849 spectrum    1 weight  0.10000E+01 volume  0.17460E-02 ppm1      4.073 ppm2      0.622 CV     1
 ASSI {  852}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 51   and name HD2 ))
      5.300     2.800     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.60114E-04 ppm1      4.254 ppm2      3.116 CV     1
 OR {  852}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 51   and name HD1 ))
 ASSI {  853}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
      2.700     0.700     0.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.47011E-02 ppm1      4.251 ppm2      2.895 CV     1
 ASSI {  854}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      2.400     0.600     0.600 peak   854 spectrum    1 weight  0.11000E+01 volume  0.56605E-02 ppm1      4.251 ppm2      2.586 CV     1
 ASSI {  855}
   (( segid "ENHF" and resid 24   and name HA  ))
   (( segid "ENHF" and resid 27   and name HB1 ))
      2.400     0.600     0.600 peak   855 spectrum    1 weight  0.11000E+01 volume  0.41543E-02 ppm1      3.836 ppm2      1.866 CV     1
 ASSI {  857}
   (( segid "ENHF" and resid 24   and name HA  ))
   (( segid "ENHF" and resid 24   and name HG1 ))
      2.500     0.600     0.600 peak   857 spectrum    1 weight  0.11000E+01 volume  0.45417E-02 ppm1      3.835 ppm2      2.228 CV     1
 ASSI {  859}
   (( segid "ENHF" and resid 24   and name HA  ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      3.000     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.21400E-02 ppm1      3.833 ppm2      1.635 CV     1
 ASSI {  862}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 39   and name HB2 ))
      2.000     0.400     0.400 peak   862 spectrum    1 weight  0.10000E+01 volume  0.17598E-01 ppm1      4.117 ppm2      1.998 CV     1
 ASSI {  863}
   (( segid "ENHF" and resid 11   and name HA  ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      2.500     0.600     0.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.48912E-02 ppm1      4.084 ppm2      1.619 CV     1
 ASSI {  864}
   (( segid "ENHF" and resid 11   and name HA  ))
   (( segid "ENHF" and resid 11   and name HG2 ))
      2.700     0.700     0.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.45147E-02 ppm1      4.081 ppm2      1.485 CV     1
 ASSI {  873}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 35   and name HA2 ))
      3.000     0.900     0.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.21190E-02 ppm1      4.036 ppm2      3.678 CV     1
 ASSI {  881}
   (( segid "ENHF" and resid 6    and name HA  ))
   (( segid "ENHF" and resid 6    and name HG2 ))
      2.700     0.700     0.700 peak   881 spectrum    1 weight  0.11000E+01 volume  0.51423E-02 ppm1      4.184 ppm2      2.379 CV     1
 ASSI {  882}
   (( segid "ENHF" and resid 6    and name HA  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
      2.500     2.500     3.500 peak   882 spectrum    1 weight  0.11000E+01 volume  0.46793E-02 ppm1      4.184 ppm2      2.265 CV     1
 ASSI {  883}
   (( segid "ENHF" and resid 6    and name HA  ))
   (( segid "ENHF" and resid 6    and name HB2 ))
      2.100     0.500     0.500 peak   883 spectrum    1 weight  0.11000E+01 volume  0.10896E-01 ppm1      4.183 ppm2      2.065 CV     1
 ASSI {  885}
   (( segid "ENHF" and resid 17   and name HA  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      3.500     1.300     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.68078E-03 ppm1      4.004 ppm2      0.915 CV     1
 ASSI {  886}
   (( segid "ENHF" and resid 33   and name HA  ))
   (( segid "ENHF" and resid 33   and name HD2 ))
      4.300     1.900     1.700 peak   886 spectrum    1 weight  0.11000E+01 volume  0.18400E-03 ppm1      3.985 ppm2      3.125 CV     1
 ASSI {  888}
   (( segid "ENHF" and resid 27   and name HA  ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      2.200     0.500     0.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.97968E-02 ppm1      4.019 ppm2      1.629 CV     1
 OR {  888}
   (( segid "ENHF" and resid 27   and name HA  ))
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  890}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 15   and name HE% )
      3.100     1.000     1.000 peak   890 spectrum    1 weight  0.11000E+01 volume  0.13953E-02 ppm1      4.017 ppm2      6.661 CV     1
 OR {  890}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 15   and name HD% )
 ASSI {  891}
   (( segid "ENHF" and resid 27   and name HA  ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      3.000     0.900     0.900 peak   891 spectrum    1 weight  0.11000E+01 volume  0.12366E-02 ppm1      4.017 ppm2      2.743 CV     1
 ASSI {  892}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 22   and name HD1%)
      3.200     1.000     1.000 peak   892 spectrum    1 weight  0.11000E+01 volume  0.10784E-02 ppm1      4.016 ppm2      0.684 CV     1
 ASSI {  894}
   (( segid "ENHF" and resid 47   and name HA  ))
   (( segid "ENHF" and resid 47   and name HG1 ))
      2.500     0.600     0.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.52229E-02 ppm1      4.053 ppm2      2.349 CV     1
 ASSI {  895}
   (( segid "ENHF" and resid 47   and name HA  ))
   (( segid "ENHF" and resid 47   and name HG2 ))
      2.500     0.600     0.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.51729E-02 ppm1      4.053 ppm2      2.083 CV     1
 ASSI {  896}
   (( segid "ENHF" and resid 47   and name HA  ))
   (( segid "ENHF" and resid 47   and name HB1 ))
      2.200     0.500     0.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      4.052 ppm2      1.983 CV     1
 ASSI {  898}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 30   and name HD% )
      3.800     3.800     2.200 peak   898 spectrum    1 weight  0.11000E+01 volume  0.63588E-03 ppm1      4.016 ppm2      6.454 CV     1
 ASSI {  899}
   (( segid "ENHF" and resid 12   and name HA  ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      2.600     0.700     0.700 peak   899 spectrum    1 weight  0.11000E+01 volume  0.41137E-02 ppm1      4.006 ppm2      3.085 CV     1
 ASSI {  900}
   (( segid "ENHF" and resid 12   and name HA  ))
   (( segid "ENHF" and resid 12   and name HG  ))
      2.800     0.800     0.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.22713E-02 ppm1      4.010 ppm2      1.271 CV     1
 ASSI {  901}
   (( segid "ENHF" and resid 12   and name HA  ))
   (  segid "ENHF" and resid 12   and name HD1%)
      2.300     0.500     0.500 peak   901 spectrum    1 weight  0.10000E+01 volume  0.62608E-02 ppm1      4.007 ppm2      0.250 CV     1
 ASSI {  902}
   (( segid "ENHF" and resid 12   and name HA  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      4.400     1.900     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.20369E-03 ppm1      4.004 ppm2      0.380 CV     1
 ASSI {  903}
   (( segid "ENHF" and resid 12   and name HA  ))
   (  segid "ENHF" and resid 12   and name HD2%)
      3.600     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.16099E-02 ppm1      4.000 ppm2     -0.047 CV     1
 ASSI {  904}
   (( segid "ENHF" and resid 12   and name HA  ))
   (  segid "ENHF" and resid 30   and name HE% )
      3.200     1.000     1.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.11139E-02 ppm1      4.010 ppm2      6.351 CV     1
 ASSI {  905}
   (( segid "ENHF" and resid 12   and name HA  ))
   (( segid "ENHF" and resid 12   and name HB1 ))
      2.800     0.800     0.800 peak   905 spectrum    1 weight  0.11000E+01 volume  0.32733E-02 ppm1      4.006 ppm2      1.400 CV     1
 ASSI {  906}
   (( segid "ENHF" and resid 12   and name HA  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      2.500     0.600     0.600 peak   906 spectrum    1 weight  0.11000E+01 volume  0.36645E-02 ppm1      4.009 ppm2      1.004 CV     1
 ASSI {  908}
   (( segid "ENHF" and resid 20   and name HA  ))
   (( segid "ENHF" and resid 20   and name HG2 ))
      2.800     0.800     0.800 peak   908 spectrum    1 weight  0.11000E+01 volume  0.26991E-02 ppm1      4.186 ppm2      2.363 CV     1
 ASSI {  909}
   (( segid "ENHF" and resid 20   and name HA  ))
   (( segid "ENHF" and resid 20   and name HB1 ))
      2.500     0.600     0.600 peak   909 spectrum    1 weight  0.11000E+01 volume  0.41744E-02 ppm1      4.185 ppm2      2.076 CV     1
 ASSI {  914}
   (( segid "ENHF" and resid 20   and name HA  ))
   (( segid "ENHF" and resid 20   and name HB2 ))
      2.900     0.800     0.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      4.187 ppm2      1.965 CV     1
 ASSI {  915}
   (( segid "ENHF" and resid 52   and name HA  ))
   (( segid "ENHF" and resid 52   and name HB1 ))
      3.000     0.900     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.15875E-02 ppm1      4.094 ppm2      1.768 CV     1
 ASSI {  916}
   (( segid "ENHF" and resid 52   and name HA  ))
   (( segid "ENHF" and resid 52   and name HG2 ))
      3.600     1.300     1.300 peak   916 spectrum    1 weight  0.11000E+01 volume  0.78737E-03 ppm1      4.093 ppm2      1.347 CV     1
 ASSI {  917}
   (( segid "ENHF" and resid 49   and name HA  ))
   (( segid "ENHF" and resid 49   and name HG2 ))
      2.900     0.900     0.900 peak   917 spectrum    1 weight  0.11000E+01 volume  0.34332E-02 ppm1      4.085 ppm2      2.240 CV     1
 ASSI {  918}
   (( segid "ENHF" and resid 49   and name HA  ))
   (( segid "ENHF" and resid 49   and name HB2 ))
      2.600     0.700     0.700 peak   918 spectrum    1 weight  0.11000E+01 volume  0.40181E-02 ppm1      4.086 ppm2      1.937 CV     1
 ASSI {  919}
   (( segid "ENHF" and resid 49   and name HA  ))
   (( segid "ENHF" and resid 49   and name HB1 ))
      2.700     0.700     0.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.33824E-02 ppm1      4.083 ppm2      2.023 CV     1
 ASSI {  921}
   (( segid "ENHF" and resid 18   and name HA  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
      2.400     0.600     0.600 peak   921 spectrum    1 weight  0.10000E+01 volume  0.61443E-02 ppm1      4.125 ppm2      1.620 CV     1
 OR {  921}
   (( segid "ENHF" and resid 18   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB1 ))
 ASSI {  923}
   (( segid "ENHF" and resid 2    and name HA  ))
   (( segid "ENHF" and resid 2    and name HG1 ))
      2.900     0.800     0.800 peak   923 spectrum    1 weight  0.11000E+01 volume  0.24409E-02 ppm1      4.103 ppm2      1.222 CV     1
 ASSI {  924}
   (( segid "ENHF" and resid 51   and name HA  ))
   (( segid "ENHF" and resid 51   and name HB1 ))
      2.500     0.600     0.600 peak   924 spectrum    1 weight  0.11000E+01 volume  0.39231E-02 ppm1      4.272 ppm2      1.823 CV     1
 ASSI {  925}
   (( segid "ENHF" and resid 51   and name HA  ))
   (( segid "ENHF" and resid 51   and name HB2 ))
      2.900     0.900     0.900 peak   925 spectrum    1 weight  0.11000E+01 volume  0.24325E-02 ppm1      4.273 ppm2      1.720 CV     1
 ASSI {  926}
   (( segid "ENHF" and resid 51   and name HA  ))
   (( segid "ENHF" and resid 51   and name HG2 ))
      2.600     0.700     0.700 peak   926 spectrum    1 weight  0.11000E+01 volume  0.31562E-02 ppm1      4.272 ppm2      1.594 CV     1
 ASSI {  927}
   (( segid "ENHF" and resid 18   and name HA  ))
   (( segid "ENHF" and resid 18   and name HD1 ))
      3.800     1.400     1.400 peak   927 spectrum    1 weight  0.11000E+01 volume  0.10567E-02 ppm1      4.123 ppm2      3.056 CV     1
 ASSI {  928}
   (( segid "ENHF" and resid 2    and name HA  ))
   (( segid "ENHF" and resid 2    and name HB2 ))
      2.900     0.800     0.800 peak   928 spectrum    1 weight  0.11000E+01 volume  0.21087E-02 ppm1      4.111 ppm2      1.371 CV     1
 ASSI {  929}
   (( segid "ENHF" and resid 51   and name HA  ))
   (( segid "ENHF" and resid 51   and name HD1 ))
      4.200     1.800     1.800 peak   929 spectrum    1 weight  0.11000E+01 volume  0.56550E-03 ppm1      4.278 ppm2      3.102 CV     1
 ASSI {  930}
   (( segid "ENHF" and resid 50   and name HA  ))
   (( segid "ENHF" and resid 50   and name HB2 ))
      2.900     0.800     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.31673E-02 ppm1      4.215 ppm2      1.987 CV     1
 ASSI {  931}
   (( segid "ENHF" and resid 50   and name HA  ))
   (( segid "ENHF" and resid 50   and name HG2 ))
      2.700     0.700     0.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.36413E-02 ppm1      4.209 ppm2      2.357 CV     1
 OR {  931}
   (( segid "ENHF" and resid 50   and name HA  ))
   (( segid "ENHF" and resid 50   and name HG1 ))
 ASSI {  933}
   (( segid "ENHF" and resid 3    and name HA  ))
   (( segid "ENHF" and resid 3    and name HG1 ))
      2.800     0.800     0.800 peak   933 spectrum    1 weight  0.11000E+01 volume  0.43426E-02 ppm1      4.198 ppm2      2.223 CV     1
 ASSI {  934}
   (( segid "ENHF" and resid 3    and name HA  ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      2.900     0.800     0.800 peak   934 spectrum    1 weight  0.11000E+01 volume  0.29415E-02 ppm1      4.197 ppm2      1.753 CV     1
 ASSI {  935}
   (( segid "ENHF" and resid 7    and name HA  ))
   (( segid "ENHF" and resid 10   and name HG1 ))
      4.400     2.000     1.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.27135E-03 ppm1      4.495 ppm2      2.414 CV     1
 OR {  935}
   (( segid "ENHF" and resid 7    and name HA  ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 ASSI {  937}
   (( segid "ENHF" and resid 7    and name HA  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      2.600     0.700     0.700 peak   937 spectrum    1 weight  0.11000E+01 volume  0.32834E-02 ppm1      4.494 ppm2      2.134 CV     1
 ASSI {  938}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 21   and name HD1 ))
      4.000     1.600     1.600 peak   938 spectrum    1 weight  0.11000E+01 volume  0.60896E-03 ppm1      4.425 ppm2      3.176 CV     1
 ASSI {  940}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 21   and name HB1 ))
      2.400     0.600     0.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.58503E-02 ppm1      4.416 ppm2      1.889 CV     1
 ASSI {  941}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 21   and name HB2 ))
      2.700     0.700     0.700 peak   941 spectrum    1 weight  0.11000E+01 volume  0.30607E-02 ppm1      4.418 ppm2      1.736 CV     1
 ASSI {  942}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 21   and name HG2 ))
      2.500     0.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.43829E-02 ppm1      4.417 ppm2      1.543 CV     1
 OR {  942}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 21   and name HG1 ))
 ASSI {  944}
   (( segid "ENHF" and resid 19   and name HA  ))
   (( segid "ENHF" and resid 19   and name HB1 ))
      2.400     0.600     0.600 peak   944 spectrum    1 weight  0.11000E+01 volume  0.58401E-02 ppm1      4.570 ppm2      2.967 CV     1
 ASSI {  945}
   (( segid "ENHF" and resid 19   and name HA  ))
   (( segid "ENHF" and resid 19   and name HB2 ))
      2.800     0.800     0.800 peak   945 spectrum    1 weight  0.11000E+01 volume  0.26099E-02 ppm1      4.568 ppm2      2.532 CV     1
 ASSI {  946}
   (( segid "ENHF" and resid 34   and name HA  ))
   (( segid "ENHF" and resid 34   and name HB1 ))
      2.400     0.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.40017E-02 ppm1      4.082 ppm2      1.491 CV     1
 ASSI {  947}
   (( segid "ENHF" and resid 40   and name HA  ))
   (( segid "ENHF" and resid 43   and name HB1 ))
      2.300     0.500     0.500 peak   947 spectrum    1 weight  0.11000E+01 volume  0.59711E-02 ppm1      4.237 ppm2      2.253 CV     1
 ASSI {  949}
   (( segid "ENHF" and resid 40   and name HA  ))
   (  segid "ENHF" and resid 40   and name HB% )
      2.000     0.400     0.400 peak   949 spectrum    1 weight  0.10000E+01 volume  0.14711E-01 ppm1      4.237 ppm2      1.564 CV     1
 ASSI {  952}
   (( segid "ENHF" and resid 34   and name HA  ))
   (( segid "ENHF" and resid 34   and name HG  ))
      2.900     0.900     0.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.23042E-02 ppm1      4.090 ppm2      1.219 CV     1
 ASSI {  954}
   (( segid "ENHF" and resid 34   and name HA  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      4.000     1.600     1.600 peak   954 spectrum    1 weight  0.11000E+01 volume  0.93472E-03 ppm1      4.087 ppm2      0.416 CV     1
 ASSI {  955}
   (( segid "ENHF" and resid 34   and name HA  ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      2.500     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.63977E-02 ppm1      4.084 ppm2      1.377 CV     1
 ASSI {  956}
   (( segid "ENHF" and resid 34   and name HA  ))
   (  segid "ENHF" and resid 34   and name HD2%)
      2.100     0.400     0.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.11928E-01 ppm1      4.085 ppm2      0.546 CV     1
 ASSI {  957}
   (( segid "ENHF" and resid 1    and name HA  ))
   (( segid "ENHF" and resid 1    and name HB1 ))
      2.700     0.700     0.700 peak   957 spectrum    1 weight  0.11000E+01 volume  0.28859E-02 ppm1      4.081 ppm2      2.090 CV     1
 ASSI {  961}
   (( segid "ENHF" and resid 36   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      3.800     1.500     1.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.96100E-03 ppm1      4.420 ppm2      0.505 CV     1
 ASSI {  964}
   (( segid "ENHF" and resid 13   and name HA  ))
   (( segid "ENHF" and resid 16   and name HB  ))
      3.000     0.900     0.900 peak   964 spectrum    1 weight  0.11000E+01 volume  0.13620E-02 ppm1      3.872 ppm2      2.143 CV     1
 ASSI {    1}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (  segid "ENHF" and resid 15   and name HD% )
      3.700     1.400     1.400 peak     1 spectrum    2 weight  0.10000E+01 volume  0.38944E-03 ppm1      8.167 ppm2      6.664 CV     1
 OR {    1}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {    2}
   (( segid "ENHF" and resid 4    and name HE3 ))
   (( segid "ENHF" and resid 4    and name HB1 ))
      3.100     0.900     0.900 peak     2 spectrum    2 weight  0.11000E+01 volume  0.23499E-02 ppm1      7.452 ppm2      3.378 CV     1
 ASSI {    3}
   (( segid "ENHF" and resid 4    and name HE3 ))
   (( segid "ENHF" and resid 4    and name HB2 ))
      4.000     1.600     1.600 peak     3 spectrum    2 weight  0.11000E+01 volume  0.23380E-03 ppm1      7.449 ppm2      3.136 CV     1
 ASSI {    4}
   (( segid "ENHF" and resid 4    and name HE3 ))
   (  segid "ENHF" and resid 40   and name HB% )
      5.200     2.700     0.800 peak     4 spectrum    2 weight  0.10000E+01 volume  0.71880E-04 ppm1      7.448 ppm2      1.546 CV     1
 ASSI {    5}
   (( segid "ENHF" and resid 4    and name HE3 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      4.800     2.300     1.200 peak     5 spectrum    2 weight  0.10000E+01 volume  0.15072E-03 ppm1      7.444 ppm2      0.625 CV     1
 ASSI {    7}
   (  segid "ENHF" and resid 45   and name HD% )
   (  segid "ENHF" and resid 45   and name HE% )
      2.400     0.600     0.600 peak     7 spectrum    2 weight  0.11000E+01 volume  0.50251E-02 ppm1      7.359 ppm2      7.171 CV     1
 ASSI {    8}
   (  segid "ENHF" and resid 45   and name HD% )
   (( segid "ENHF" and resid 45   and name HZ  ))
      3.400     1.200     1.200 peak     8 spectrum    2 weight  0.11000E+01 volume  0.13069E-02 ppm1      7.360 ppm2      7.083 CV     1
 ASSI {   11}
   (  segid "ENHF" and resid 45   and name HD% )
   (  segid "ENHF" and resid 41   and name HG2%)
      4.500     2.100     1.500 peak    11 spectrum    2 weight  0.10000E+01 volume  0.11939E-03 ppm1      7.358 ppm2      0.618 CV     1
 ASSI {   15}
   (  segid "ENHF" and resid 45   and name HE% )
   (  segid "ENHF" and resid 41   and name HG2%)
      3.900     1.500     1.500 peak    15 spectrum    2 weight  0.10000E+01 volume  0.30259E-03 ppm1      7.171 ppm2      0.628 CV     1
 ASSI {   17}
   (( segid "ENHF" and resid 4    and name HH2 ))
   (( segid "ENHF" and resid 4    and name HZ2 ))
      2.300     0.500     0.500 peak    17 spectrum    2 weight  0.10000E+01 volume  0.83752E-02 ppm1      7.031 ppm2      7.419 CV     1
 ASSI {   18}
   (  segid "ENHF" and resid 48   and name HD% )
   (( segid "ENHF" and resid 48   and name HB1 ))
      2.700     0.700     0.700 peak    18 spectrum    2 weight  0.10000E+01 volume  0.22369E-02 ppm1      7.024 ppm2      2.891 CV     1
 ASSI {   19}
   (  segid "ENHF" and resid 48   and name HD% )
   (  segid "ENHF" and resid 48   and name HE% )
      2.500     0.600     0.600 peak    19 spectrum    2 weight  0.10000E+01 volume  0.44188E-02 ppm1      7.023 ppm2      7.190 CV     1
 ASSI {   20}
   (  segid "ENHF" and resid 48   and name HD% )
   (( segid "ENHF" and resid 48   and name HA  ))
      3.400     1.200     1.200 peak    20 spectrum    2 weight  0.10000E+01 volume  0.64516E-03 ppm1      7.022 ppm2      4.247 CV     1
 ASSI {   27}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 15   and name HD% )
      2.500     0.600     0.600 peak    27 spectrum    2 weight  0.10000E+01 volume  0.39148E-02 ppm1      6.444 ppm2      6.627 CV     1
 ASSI {   28}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 30   and name HE% )
      2.000     0.400     0.400 peak    28 spectrum    2 weight  0.11000E+01 volume  0.14244E-01 ppm1      6.444 ppm2      6.366 CV     1
 ASSI {   29}
   (  segid "ENHF" and resid 30   and name HD% )
   (( segid "ENHF" and resid 30   and name HA  ))
      2.400     0.600     0.600 peak    29 spectrum    2 weight  0.10000E+01 volume  0.54260E-02 ppm1      6.444 ppm2      4.004 CV     1
 ASSI {   30}
   (  segid "ENHF" and resid 30   and name HD% )
   (( segid "ENHF" and resid 30   and name HB2 ))
      2.600     0.700     0.700 peak    30 spectrum    2 weight  0.11000E+01 volume  0.37184E-02 ppm1      6.442 ppm2      2.439 CV     1
 ASSI {   31}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 12   and name HD2%)
      3.200     3.200     2.800 peak    31 spectrum    2 weight  0.11000E+01 volume  0.15309E-02 ppm1      6.444 ppm2      0.248 CV     1
 ASSI {   33}
   (  segid "ENHF" and resid 30   and name HE% )
   (( segid "ENHF" and resid 34   and name HG  ))
      6.000     3.600     0.000 peak    33 spectrum    2 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.357 ppm2      1.244 CV     1
 ASSI {   38}
   (  segid "ENHF" and resid 30   and name HE% )
   (  segid "ENHF" and resid 12   and name HD2%)
      3.200     3.200     2.800 peak    38 spectrum    2 weight  0.11000E+01 volume  0.16873E-02 ppm1      6.352 ppm2      0.249 CV     1
 ASSI {   39}
   (  segid "ENHF" and resid 30   and name HE% )
   (  segid "ENHF" and resid 34   and name HD2%)
      3.100     1.000     1.000 peak    39 spectrum    2 weight  0.10000E+01 volume  0.13655E-02 ppm1      6.347 ppm2      0.524 CV     1
 ASSI {   40}
   (  segid "ENHF" and resid 30   and name HE% )
   (( segid "ENHF" and resid 15   and name HB2 ))
      3.500     1.200     1.200 peak    40 spectrum    2 weight  0.10000E+01 volume  0.61017E-03 ppm1      6.349 ppm2      3.089 CV     1
 OR {   40}
   (  segid "ENHF" and resid 30   and name HE% )
   (( segid "ENHF" and resid 15   and name HB1 ))
 ASSI {   41}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      5.800     3.400     0.200 peak    41 spectrum    2 weight  0.10000E+01 volume  0.62442E-04 ppm1      7.279 ppm2      0.630 CV     1
 ASSI {   42}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 4    and name HB1 ))
      3.700     1.300     1.300 peak    42 spectrum    2 weight  0.11000E+01 volume  0.37781E-03 ppm1      7.274 ppm2      3.367 CV     1
 ASSI {   43}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 4    and name HB2 ))
      3.200     1.000     1.000 peak    43 spectrum    2 weight  0.11000E+01 volume  0.17678E-02 ppm1      7.276 ppm2      3.137 CV     1
 ASSI {   48}
   (( segid "ENHF" and resid 28   and name HD2 ))
   (  segid "ENHF" and resid 41   and name HD1%)
      3.700     1.400     1.400 peak    48 spectrum    2 weight  0.10000E+01 volume  0.49763E-03 ppm1      7.169 ppm2      0.507 CV     1
 ASSI {   49}
   (( segid "ENHF" and resid 28   and name HD2 ))
   (  segid "ENHF" and resid 41   and name HG2%)
      3.000     0.900     0.900 peak    49 spectrum    2 weight  0.10000E+01 volume  0.17482E-02 ppm1      7.165 ppm2      0.623 CV     1
 ASSI {   51}
   (( segid "ENHF" and resid 19   and name HD2 ))
   (( segid "ENHF" and resid 19   and name HB1 ))
      3.500     1.200     1.200 peak    51 spectrum    2 weight  0.11000E+01 volume  0.65140E-03 ppm1      6.869 ppm2      2.970 CV     1
 ASSI {   52}
   (( segid "ENHF" and resid 19   and name HD2 ))
   (( segid "ENHF" and resid 19   and name HB2 ))
      6.000     4.100     0.000 peak    52 spectrum    2 weight  0.11000E+01 volume  0.23326E-04 ppm1      6.866 ppm2      2.521 CV     1
 ASSI {   57}
   (  segid "ENHF" and resid 45   and name HD% )
   (  segid "ENHF" and resid 27   and name HD1%)
      5.600     3.200     0.400 peak    57 spectrum    2 weight  0.10000E+01 volume  0.49917E-04 ppm1      7.360 ppm2      0.817 CV     1
 ASSI {   58}
   (  segid "ENHF" and resid 15   and name HD% )
   (  segid "ENHF" and resid 22   and name HG2%)
      6.000     4.000     0.000 peak    58 spectrum    2 weight  0.10000E+01 volume  0.15826E-04 ppm1      6.643 ppm2      0.834 CV     1
 ASSI {   61}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 4    and name HA  ))
      6.000     4.500     0.000 peak    61 spectrum    2 weight  0.11000E+01 volume  0.21460E-04 ppm1      7.274 ppm2      4.766 CV     1
 ASSI {   62}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 9    and name HA  ))
      5.300     2.800     0.700 peak    62 spectrum    2 weight  0.11000E+01 volume  0.60575E-04 ppm1      7.275 ppm2      3.634 CV     1
 ASSI {   63}
   (( segid "ENHF" and resid 19   and name HD2 ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      5.200     2.700     0.800 peak    63 spectrum    2 weight  0.10000E+01 volume  0.38900E-04 ppm1      6.868 ppm2      3.096 CV     1
 OR {   63}
   (( segid "ENHF" and resid 19   and name HD2 ))
   (( segid "ENHF" and resid 15   and name HB1 ))
 ASSI {   64}
   (( segid "ENHF" and resid 19   and name HD2 ))
   (( segid "ENHF" and resid 19   and name HA  ))
      5.400     2.900     0.600 peak    64 spectrum    2 weight  0.11000E+01 volume  0.53793E-04 ppm1      6.869 ppm2      4.596 CV     1
 ASSI {   65}
   (  segid "ENHF" and resid 30   and name HE% )
   (  segid "ENHF" and resid 15   and name HD% )
      2.800     0.800     0.800 peak    65 spectrum    2 weight  0.10000E+01 volume  0.23931E-02 ppm1      6.348 ppm2      6.649 CV     1
 OR {   65}
   (  segid "ENHF" and resid 30   and name HE% )
   (  segid "ENHF" and resid 15   and name HE% )
 ASSI {    2}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 23   and name HB  ))
      2.300     0.500     0.500 peak     2 spectrum    3 weight  0.11000E+01 volume  0.78133E-02 ppm1      9.027 ppm2      4.702 CV     1
 ASSI {    3}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 23   and name HA  ))
      2.100     0.500     0.500 peak     3 spectrum    3 weight  0.11000E+01 volume  0.11139E-01 ppm1      9.027 ppm2      4.589 CV     1
 ASSI {    4}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 24   and name HA  ))
      2.800     0.800     0.800 peak     4 spectrum    3 weight  0.11000E+01 volume  0.24238E-02 ppm1      9.027 ppm2      3.823 CV     1
 ASSI {    5}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 24   and name HG1 ))
      3.800     1.400     1.400 peak     5 spectrum    3 weight  0.11000E+01 volume  0.10687E-02 ppm1      9.027 ppm2      2.217 CV     1
 ASSI {    6}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 24   and name HB2 ))
      2.200     0.500     0.500 peak     6 spectrum    3 weight  0.11000E+01 volume  0.87217E-02 ppm1      9.026 ppm2      1.978 CV     1
 ASSI {    7}
   (( segid "ENHF" and resid 24   and name HN  ))
   (  segid "ENHF" and resid 23   and name HG2%)
      6.000     3.800     0.000 peak     7 spectrum    3 weight  0.11000E+01 volume  0.54476E-04 ppm1      9.028 ppm2      1.320 CV     1
 ASSI {    8}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 7    and name HN  ))
      2.800     0.800     0.800 peak     8 spectrum    3 weight  0.11000E+01 volume  0.24935E-02 ppm1      8.808 ppm2      8.443 CV     1
 ASSI {   10}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 5    and name HA  ))
      2.400     0.600     0.600 peak    10 spectrum    3 weight  0.11000E+01 volume  0.60175E-02 ppm1      8.808 ppm2      4.401 CV     1
 ASSI {   11}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 6    and name HA  ))
      2.400     0.600     0.600 peak    11 spectrum    3 weight  0.10000E+01 volume  0.66327E-02 ppm1      8.809 ppm2      4.168 CV     1
 ASSI {   12}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB2 ))
      6.000     4.100     0.000 peak    12 spectrum    3 weight  0.11000E+01 volume  0.40679E-04 ppm1      8.807 ppm2      3.914 CV     1
 ASSI {   13}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 6    and name HG2 ))
      3.700     1.400     1.400 peak    13 spectrum    3 weight  0.11000E+01 volume  0.13484E-02 ppm1      8.809 ppm2      2.359 CV     1
 ASSI {   14}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 6    and name HB2 ))
      2.300     0.500     0.500 peak    14 spectrum    3 weight  0.11000E+01 volume  0.61606E-02 ppm1      8.809 ppm2      2.048 CV     1
 ASSI {   15}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 24   and name HN  ))
      2.800     0.800     0.800 peak    15 spectrum    3 weight  0.11000E+01 volume  0.23286E-02 ppm1      8.779 ppm2      9.025 CV     1
 ASSI {   16}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 27   and name HN  ))
      5.600     3.100     0.400 peak    16 spectrum    3 weight  0.11000E+01 volume  0.41132E-04 ppm1      8.781 ppm2      8.192 CV     1
 ASSI {   18}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 26   and name HN  ))
      2.800     0.800     0.800 peak    18 spectrum    3 weight  0.11000E+01 volume  0.26177E-02 ppm1      8.780 ppm2      7.757 CV     1
 ASSI {   19}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 23   and name HB  ))
      2.700     0.700     0.700 peak    19 spectrum    3 weight  0.11000E+01 volume  0.25078E-02 ppm1      8.780 ppm2      4.701 CV     1
 ASSI {   20}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 23   and name HA  ))
      6.000     3.600     0.000 peak    20 spectrum    3 weight  0.11000E+01 volume  0.00000E+00 ppm1      8.780 ppm2      4.578 CV     1
 ASSI {   21}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 25   and name HA  ))
      2.800     0.800     0.800 peak    21 spectrum    3 weight  0.11000E+01 volume  0.27419E-02 ppm1      8.779 ppm2      4.073 CV     1
 ASSI {   22}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 24   and name HA  ))
      4.400     1.900     1.600 peak    22 spectrum    3 weight  0.11000E+01 volume  0.17644E-03 ppm1      8.780 ppm2      3.829 CV     1
 ASSI {   25}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      2.300     0.600     0.600 peak    25 spectrum    3 weight  0.11000E+01 volume  0.62732E-02 ppm1      8.781 ppm2      2.060 CV     1
 ASSI {   26}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB2 ))
      2.400     0.600     0.600 peak    26 spectrum    3 weight  0.10000E+01 volume  0.52659E-02 ppm1      8.779 ppm2      1.920 CV     1
 ASSI {   28}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 37   and name HA  ))
      2.400     0.600     0.600 peak    28 spectrum    3 weight  0.11000E+01 volume  0.59438E-02 ppm1      8.742 ppm2      4.637 CV     1
 ASSI {   29}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 38   and name HA  ))
      3.200     1.000     1.000 peak    29 spectrum    3 weight  0.11000E+01 volume  0.10201E-02 ppm1      8.740 ppm2      3.819 CV     1
 ASSI {   30}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB1 ))
      3.800     3.800     2.200 peak    30 spectrum    3 weight  0.11000E+01 volume  0.13576E-02 ppm1      8.742 ppm2      3.186 CV     1
 ASSI {   31}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 38   and name HG1 ))
      3.200     1.000     1.000 peak    31 spectrum    3 weight  0.10000E+01 volume  0.99046E-03 ppm1      8.741 ppm2      2.344 CV     1
 OR {   31}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 38   and name HG2 ))
 ASSI {   32}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 38   and name HB2 ))
      2.400     0.600     0.600 peak    32 spectrum    3 weight  0.11000E+01 volume  0.52534E-02 ppm1      8.742 ppm2      2.035 CV     1
 ASSI {   34}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 27   and name HN  ))
      2.400     0.600     0.600 peak    34 spectrum    3 weight  0.11000E+01 volume  0.53565E-02 ppm1      8.703 ppm2      8.195 CV     1
 ASSI {   35}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 28   and name HA  ))
      2.600     0.700     0.700 peak    35 spectrum    3 weight  0.10000E+01 volume  0.35106E-02 ppm1      8.703 ppm2      4.067 CV     1
 ASSI {   36}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 28   and name HB2 ))
      2.300     0.500     0.500 peak    36 spectrum    3 weight  0.11000E+01 volume  0.73302E-02 ppm1      8.702 ppm2      3.386 CV     1
 ASSI {   37}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 27   and name HB1 ))
      2.800     0.800     0.800 peak    37 spectrum    3 weight  0.11000E+01 volume  0.17281E-02 ppm1      8.703 ppm2      1.831 CV     1
 ASSI {   38}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      6.000     4.100     0.000 peak    38 spectrum    3 weight  0.10000E+01 volume  0.43626E-04 ppm1      8.706 ppm2      1.602 CV     1
 ASSI {   40}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 46   and name HN  ))
      2.400     0.600     0.600 peak    40 spectrum    3 weight  0.11000E+01 volume  0.48052E-02 ppm1      8.491 ppm2      8.173 CV     1
 ASSI {   42}
   (( segid "ENHF" and resid 45   and name HN  ))
   (  segid "ENHF" and resid 45   and name HD% )
      2.900     0.900     0.900 peak    42 spectrum    3 weight  0.11000E+01 volume  0.15179E-02 ppm1      8.492 ppm2      7.363 CV     1
 ASSI {   43}
   (( segid "ENHF" and resid 45   and name HN  ))
   (  segid "ENHF" and resid 44   and name HD% )
      5.000     2.500     1.000 peak    43 spectrum    3 weight  0.10000E+01 volume  0.12439E-03 ppm1      8.491 ppm2      6.461 CV     1
 ASSI {   46}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 45   and name HB1 ))
      3.300     1.100     1.100 peak    46 spectrum    3 weight  0.11000E+01 volume  0.29065E-02 ppm1      8.491 ppm2      3.288 CV     1
 ASSI {   47}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 45   and name HB2 ))
      2.200     0.500     0.500 peak    47 spectrum    3 weight  0.11000E+01 volume  0.83473E-02 ppm1      8.491 ppm2      3.180 CV     1
 ASSI {   48}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 44   and name HB1 ))
      2.400     0.600     0.600 peak    48 spectrum    3 weight  0.11000E+01 volume  0.42080E-02 ppm1      8.490 ppm2      2.939 CV     1
 ASSI {   50}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 8    and name HN  ))
      2.700     0.700     0.700 peak    50 spectrum    3 weight  0.10000E+01 volume  0.27114E-02 ppm1      8.447 ppm2      7.721 CV     1
 ASSI {   51}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 7    and name HA  ))
      2.600     0.700     0.700 peak    51 spectrum    3 weight  0.11000E+01 volume  0.37391E-02 ppm1      8.446 ppm2      4.506 CV     1
 ASSI {   52}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 5    and name HA  ))
      6.000     3.600     0.000 peak    52 spectrum    3 weight  0.11000E+01 volume  0.37329E-04 ppm1      8.448 ppm2      4.401 CV     1
 ASSI {   54}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 7    and name HB1 ))
      2.400     0.600     0.600 peak    54 spectrum    3 weight  0.10000E+01 volume  0.76110E-02 ppm1      8.446 ppm2      2.775 CV     1
 OR {   54}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 7    and name HB2 ))
 ASSI {   56}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 6    and name HB1 ))
      2.700     0.700     0.700 peak    56 spectrum    3 weight  0.10000E+01 volume  0.35095E-02 ppm1      8.446 ppm2      2.056 CV     1
 OR {   56}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 6    and name HB2 ))
 ASSI {   57}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 22   and name HN  ))
      4.700     2.200     1.300 peak    57 spectrum    3 weight  0.11000E+01 volume  0.35042E-03 ppm1      8.443 ppm2      7.928 CV     1
 ASSI {   58}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 21   and name HA  ))
      2.700     0.700     0.700 peak    58 spectrum    3 weight  0.11000E+01 volume  0.25962E-02 ppm1      8.442 ppm2      4.401 CV     1
 ASSI {   59}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 20   and name HA  ))
      2.700     0.700     0.700 peak    59 spectrum    3 weight  0.11000E+01 volume  0.30416E-02 ppm1      8.442 ppm2      4.181 CV     1
 ASSI {   60}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 20   and name HB2 ))
      5.000     2.500     1.000 peak    60 spectrum    3 weight  0.10000E+01 volume  0.90480E-04 ppm1      8.444 ppm2      1.949 CV     1
 ASSI {   61}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 21   and name HB1 ))
      5.100     2.600     0.900 peak    61 spectrum    3 weight  0.11000E+01 volume  0.10464E-03 ppm1      8.441 ppm2      1.866 CV     1
 ASSI {   62}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 21   and name HB2 ))
      3.000     0.900     0.900 peak    62 spectrum    3 weight  0.11000E+01 volume  0.18382E-02 ppm1      8.443 ppm2      1.721 CV     1
 ASSI {   63}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 20   and name HB1 ))
      6.000     3.800     0.000 peak    63 spectrum    3 weight  0.11000E+01 volume  0.35463E-04 ppm1      8.439 ppm2      2.072 CV     1
 ASSI {   64}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 38   and name HN  ))
      2.700     0.700     0.700 peak    64 spectrum    3 weight  0.11000E+01 volume  0.27094E-02 ppm1      8.423 ppm2      8.741 CV     1
 ASSI {   65}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 40   and name HN  ))
      2.300     0.500     0.500 peak    65 spectrum    3 weight  0.10000E+01 volume  0.81520E-02 ppm1      8.423 ppm2      8.069 CV     1
 ASSI {   66}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 39   and name HA  ))
      2.600     0.700     0.700 peak    66 spectrum    3 weight  0.11000E+01 volume  0.38935E-02 ppm1      8.423 ppm2      4.101 CV     1
 ASSI {   67}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 38   and name HA  ))
      4.800     2.300     1.200 peak    67 spectrum    3 weight  0.10000E+01 volume  0.87775E-04 ppm1      8.423 ppm2      3.817 CV     1
 ASSI {   70}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 45   and name HN  ))
      2.600     0.700     0.700 peak    70 spectrum    3 weight  0.11000E+01 volume  0.31463E-02 ppm1      8.365 ppm2      8.481 CV     1
 ASSI {   74}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 41   and name HA  ))
      4.400     1.900     1.600 peak    74 spectrum    3 weight  0.11000E+01 volume  0.17785E-03 ppm1      8.365 ppm2      3.459 CV     1
 ASSI {   75}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 44   and name HB1 ))
      2.800     0.800     0.800 peak    75 spectrum    3 weight  0.11000E+01 volume  0.36376E-02 ppm1      8.363 ppm2      2.936 CV     1
 ASSI {   76}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 44   and name HB2 ))
      2.600     0.700     0.700 peak    76 spectrum    3 weight  0.11000E+01 volume  0.32496E-02 ppm1      8.364 ppm2      2.787 CV     1
 ASSI {   77}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 43   and name HB1 ))
      2.900     0.800     0.800 peak    77 spectrum    3 weight  0.11000E+01 volume  0.16111E-02 ppm1      8.364 ppm2      2.232 CV     1
 ASSI {   78}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 19   and name HA  ))
      2.500     0.600     0.600 peak    78 spectrum    3 weight  0.11000E+01 volume  0.50992E-02 ppm1      8.357 ppm2      4.556 CV     1
 ASSI {   79}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 20   and name HA  ))
      2.900     0.900     0.900 peak    79 spectrum    3 weight  0.11000E+01 volume  0.19635E-02 ppm1      8.358 ppm2      4.184 CV     1
 ASSI {   80}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 20   and name HG2 ))
      3.200     1.000     1.000 peak    80 spectrum    3 weight  0.11000E+01 volume  0.11652E-02 ppm1      8.357 ppm2      2.353 CV     1
 ASSI {   81}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 20   and name HB1 ))
      3.800     1.500     1.500 peak    81 spectrum    3 weight  0.11000E+01 volume  0.73152E-03 ppm1      8.357 ppm2      2.066 CV     1
 ASSI {   82}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 20   and name HB2 ))
      2.700     0.700     0.700 peak    82 spectrum    3 weight  0.11000E+01 volume  0.27648E-02 ppm1      8.358 ppm2      1.953 CV     1
 ASSI {   83}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 37   and name HA  ))
      2.700     0.700     0.700 peak    83 spectrum    3 weight  0.10000E+01 volume  0.25824E-02 ppm1      8.323 ppm2      4.630 CV     1
 ASSI {   84}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 36   and name HA  ))
      2.000     0.400     0.400 peak    84 spectrum    3 weight  0.11000E+01 volume  0.16126E-01 ppm1      8.324 ppm2      4.407 CV     1
 ASSI {   85}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
      2.500     0.600     0.600 peak    85 spectrum    3 weight  0.10000E+01 volume  0.26643E-02 ppm1      8.323 ppm2      1.417 CV     1
 ASSI {   86}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 37   and name HD21))
      4.900     2.400     1.100 peak    86 spectrum    3 weight  0.10000E+01 volume  0.35812E-04 ppm1      8.322 ppm2      7.700 CV     1
 ASSI {   87}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB1 ))
      3.100     0.900     0.900 peak    87 spectrum    3 weight  0.11000E+01 volume  0.13797E-02 ppm1      8.323 ppm2      3.183 CV     1
 ASSI {   88}
   (( segid "ENHF" and resid 37   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD2%)
      5.300     2.800     0.700 peak    88 spectrum    3 weight  0.10000E+01 volume  0.10739E-03 ppm1      8.323 ppm2      0.605 CV     1
 ASSI {   91}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 6    and name HN  ))
      5.400     2.900     0.600 peak    91 spectrum    3 weight  0.11000E+01 volume  0.10892E-03 ppm1      8.319 ppm2      8.810 CV     1
 ASSI {   92}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HA  ))
      2.200     0.500     0.500 peak    92 spectrum    3 weight  0.11000E+01 volume  0.92938E-02 ppm1      8.319 ppm2      4.769 CV     1
 ASSI {   93}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 5    and name HA  ))
      2.600     0.700     0.700 peak    93 spectrum    3 weight  0.11000E+01 volume  0.32005E-02 ppm1      8.318 ppm2      4.392 CV     1
 ASSI {   94}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB1 ))
      3.400     1.200     1.200 peak    94 spectrum    3 weight  0.10000E+01 volume  0.15843E-02 ppm1      8.320 ppm2      4.156 CV     1
 ASSI {   95}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB2 ))
      2.400     0.600     0.600 peak    95 spectrum    3 weight  0.11000E+01 volume  0.37288E-02 ppm1      8.319 ppm2      3.919 CV     1
 ASSI {   96}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HB1 ))
      3.400     1.200     1.200 peak    96 spectrum    3 weight  0.11000E+01 volume  0.17006E-02 ppm1      8.318 ppm2      3.370 CV     1
 ASSI {   97}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HB2 ))
      2.500     0.600     0.600 peak    97 spectrum    3 weight  0.11000E+01 volume  0.36987E-02 ppm1      8.319 ppm2      3.120 CV     1
 ASSI {   98}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 8    and name HB  ))
      3.000     0.900     0.900 peak    98 spectrum    3 weight  0.10000E+01 volume  0.15387E-02 ppm1      8.319 ppm2      2.100 CV     1
 ASSI {   99}
   (( segid "ENHF" and resid 5    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG2%)
      4.100     1.700     1.700 peak    99 spectrum    3 weight  0.11000E+01 volume  0.36642E-03 ppm1      8.319 ppm2      0.949 CV     1
 ASSI {  100}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 8    and name HN  ))
      6.000     3.700     0.000 peak   100 spectrum    3 weight  0.11000E+01 volume  0.34991E-04 ppm1      8.317 ppm2      7.729 CV     1
 ASSI {  101}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 22   and name HB  ))
      5.400     3.000     0.600 peak   101 spectrum    3 weight  0.10000E+01 volume  0.11544E-03 ppm1      8.319 ppm2      1.863 CV     1
 ASSI {  102}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG11))
      5.500     3.000     0.500 peak   102 spectrum    3 weight  0.10000E+01 volume  0.36963E-04 ppm1      8.317 ppm2      1.518 CV     1
 ASSI {  103}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 23   and name HA  ))
      3.900     1.500     1.500 peak   103 spectrum    3 weight  0.11000E+01 volume  0.30887E-03 ppm1      8.313 ppm2      4.580 CV     1
 ASSI {  104}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 22   and name HA  ))
      2.300     0.500     0.500 peak   104 spectrum    3 weight  0.10000E+01 volume  0.63731E-02 ppm1      8.315 ppm2      4.372 CV     1
 ASSI {  105}
   (( segid "ENHF" and resid 23   and name HN  ))
   (  segid "ENHF" and resid 23   and name HG2%)
      3.200     1.000     1.000 peak   105 spectrum    3 weight  0.11000E+01 volume  0.10867E-02 ppm1      8.313 ppm2      1.319 CV     1
 ASSI {  106}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      3.500     1.200     1.200 peak   106 spectrum    3 weight  0.10000E+01 volume  0.91759E-03 ppm1      8.311 ppm2      2.286 CV     1
 OR {  106}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  106}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  107}
   (( segid "ENHF" and resid 23   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG12))
      5.600     3.100     0.400 peak   107 spectrum    3 weight  0.11000E+01 volume  0.36108E-04 ppm1      8.310 ppm2      1.205 CV     1
 ASSI {  110}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 33   and name HN  ))
      4.800     2.300     1.200 peak   110 spectrum    3 weight  0.11000E+01 volume  0.10804E-03 ppm1      8.295 ppm2      7.804 CV     1
 ASSI {  111}
   (( segid "ENHF" and resid 31   and name HN  ))
   (  segid "ENHF" and resid 30   and name HD% )
      6.000     3.800     0.000 peak   111 spectrum    3 weight  0.11000E+01 volume  0.36841E-04 ppm1      8.293 ppm2      6.430 CV     1
 ASSI {  112}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      2.800     0.800     0.800 peak   112 spectrum    3 weight  0.11000E+01 volume  0.21957E-02 ppm1      8.291 ppm2      3.521 CV     1
 ASSI {  113}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      3.500     1.200     1.200 peak   113 spectrum    3 weight  0.11000E+01 volume  0.62826E-03 ppm1      8.292 ppm2      2.730 CV     1
 ASSI {  114}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 30   and name HB2 ))
      3.100     1.000     1.000 peak   114 spectrum    3 weight  0.11000E+01 volume  0.31250E-02 ppm1      8.291 ppm2      2.433 CV     1
 ASSI {  117}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 14   and name HN  ))
      2.500     0.600     0.600 peak   117 spectrum    3 weight  0.10000E+01 volume  0.44346E-02 ppm1      8.290 ppm2      8.023 CV     1
 ASSI {  119}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 13   and name HA  ))
      2.600     0.700     0.700 peak   119 spectrum    3 weight  0.11000E+01 volume  0.35576E-02 ppm1      8.286 ppm2      3.876 CV     1
 ASSI {  120}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      2.300     0.600     0.600 peak   120 spectrum    3 weight  0.10000E+01 volume  0.59403E-02 ppm1      8.288 ppm2      1.960 CV     1
 ASSI {  121}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      2.800     0.800     0.800 peak   121 spectrum    3 weight  0.11000E+01 volume  0.23937E-02 ppm1      8.288 ppm2      1.854 CV     1
 ASSI {  122}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 13   and name HG1 ))
      2.900     2.900     3.100 peak   122 spectrum    3 weight  0.10000E+01 volume  0.52810E-02 ppm1      8.288 ppm2      1.727 CV     1
 OR {  122}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 ASSI {  123}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 12   and name HB1 ))
      2.400     0.600     0.600 peak   123 spectrum    3 weight  0.10000E+01 volume  0.41223E-02 ppm1      8.289 ppm2      1.374 CV     1
 ASSI {  124}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB2 ))
      6.000     3.900     0.000 peak   124 spectrum    3 weight  0.11000E+01 volume  0.39038E-04 ppm1      8.285 ppm2      2.087 CV     1
 ASSI {  125}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      4.000     1.600     1.600 peak   125 spectrum    3 weight  0.11000E+01 volume  0.81535E-03 ppm1      8.285 ppm2      1.015 CV     1
 ASSI {  126}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 7    and name HN  ))
      5.800     3.400     0.200 peak   126 spectrum    3 weight  0.11000E+01 volume  0.41620E-04 ppm1      8.272 ppm2      8.466 CV     1
 ASSI {  127}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 10   and name HN  ))
      2.700     0.700     0.700 peak   127 spectrum    3 weight  0.11000E+01 volume  0.26981E-02 ppm1      8.269 ppm2      8.133 CV     1
 ASSI {  129}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 9    and name HB2 ))
      2.100     0.400     0.400 peak   129 spectrum    3 weight  0.10000E+01 volume  0.14814E-01 ppm1      8.268 ppm2      2.258 CV     1
 OR {  129}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
 ASSI {  130}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 8    and name HB  ))
      2.700     0.700     0.700 peak   130 spectrum    3 weight  0.10000E+01 volume  0.27218E-02 ppm1      8.269 ppm2      2.101 CV     1
 ASSI {  131}
   (( segid "ENHF" and resid 9    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG2%)
      5.200     2.700     0.800 peak   131 spectrum    3 weight  0.11000E+01 volume  0.15247E-03 ppm1      8.271 ppm2      0.942 CV     1
 ASSI {  132}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 8    and name HN  ))
      2.400     0.600     0.600 peak   132 spectrum    3 weight  0.10000E+01 volume  0.54098E-02 ppm1      8.268 ppm2      7.726 CV     1
 ASSI {  133}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      4.500     2.100     1.500 peak   133 spectrum    3 weight  0.11000E+01 volume  0.18570E-03 ppm1      8.268 ppm2      7.269 CV     1
 ASSI {  134}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 7    and name HA  ))
      5.700     3.300     0.300 peak   134 spectrum    3 weight  0.11000E+01 volume  0.39440E-04 ppm1      8.265 ppm2      4.512 CV     1
 ASSI {  135}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 9    and name HA  ))
      2.800     0.800     0.800 peak   135 spectrum    3 weight  0.11000E+01 volume  0.22271E-02 ppm1      8.267 ppm2      3.634 CV     1
 ASSI {  136}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 8    and name HA  ))
      3.700     1.300     1.300 peak   136 spectrum    3 weight  0.11000E+01 volume  0.53527E-03 ppm1      8.268 ppm2      3.513 CV     1
 ASSI {  139}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 9    and name HA  ))
      4.200     1.800     1.800 peak   139 spectrum    3 weight  0.11000E+01 volume  0.24758E-03 ppm1      8.269 ppm2      3.628 CV     1
 ASSI {  140}
   (( segid "ENHF" and resid 12   and name HN  ))
   (  segid "ENHF" and resid 12   and name HD1%)
      6.000     3.900     0.000 peak   140 spectrum    3 weight  0.11000E+01 volume  0.50220E-04 ppm1      8.269 ppm2      0.233 CV     1
 ASSI {  147}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 12   and name HB1 ))
      2.400     0.600     0.600 peak   147 spectrum    3 weight  0.10000E+01 volume  0.61322E-02 ppm1      8.267 ppm2      1.380 CV     1
 ASSI {  149}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
      2.800     0.800     0.800 peak   149 spectrum    3 weight  0.11000E+01 volume  0.17213E-02 ppm1      8.267 ppm2      1.014 CV     1
 ASSI {  155}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 24   and name HA  ))
      4.800     2.300     1.200 peak   155 spectrum    3 weight  0.11000E+01 volume  0.13550E-03 ppm1      8.217 ppm2      3.815 CV     1
 ASSI {  156}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      3.100     1.000     1.000 peak   156 spectrum    3 weight  0.10000E+01 volume  0.14234E-02 ppm1      8.219 ppm2      2.288 CV     1
 OR {  156}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  156}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  158}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 27   and name HB1 ))
      2.500     0.600     0.600 peak   158 spectrum    3 weight  0.11000E+01 volume  0.49096E-02 ppm1      8.219 ppm2      1.839 CV     1
 ASSI {  159}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 27   and name HB2 ))
      2.300     0.500     0.500 peak   159 spectrum    3 weight  0.10000E+01 volume  0.63916E-02 ppm1      8.218 ppm2      1.612 CV     1
 ASSI {  160}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 15   and name HA  ))
      5.500     3.000     0.500 peak   160 spectrum    3 weight  0.11000E+01 volume  0.42178E-04 ppm1      8.220 ppm2      4.096 CV     1
 ASSI {  162}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 15   and name HN  ))
      2.500     0.600     0.600 peak   162 spectrum    3 weight  0.10000E+01 volume  0.41406E-02 ppm1      8.217 ppm2      7.995 CV     1
 ASSI {  163}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 17   and name HN  ))
      2.700     0.700     0.700 peak   163 spectrum    3 weight  0.11000E+01 volume  0.27677E-02 ppm1      8.218 ppm2      7.730 CV     1
 ASSI {  164}
   (( segid "ENHF" and resid 16   and name HN  ))
   (  segid "ENHF" and resid 15   and name HD% )
      6.000     3.600     0.000 peak   164 spectrum    3 weight  0.11000E+01 volume  0.45824E-04 ppm1      8.217 ppm2      6.640 CV     1
 ASSI {  166}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 13   and name HA  ))
      3.800     1.500     1.500 peak   166 spectrum    3 weight  0.11000E+01 volume  0.35963E-03 ppm1      8.217 ppm2      3.878 CV     1
 ASSI {  167}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 16   and name HA  ))
      2.700     0.700     0.700 peak   167 spectrum    3 weight  0.11000E+01 volume  0.28198E-02 ppm1      8.216 ppm2      3.560 CV     1
 ASSI {  168}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      2.900     0.800     0.800 peak   168 spectrum    3 weight  0.11000E+01 volume  0.48023E-02 ppm1      8.217 ppm2      3.080 CV     1
 ASSI {  169}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 16   and name HB  ))
      2.300     0.500     0.500 peak   169 spectrum    3 weight  0.11000E+01 volume  0.63965E-02 ppm1      8.217 ppm2      2.130 CV     1
 ASSI {  170}
   (( segid "ENHF" and resid 16   and name HN  ))
   (  segid "ENHF" and resid 16   and name HG2%)
      2.400     2.400     3.600 peak   170 spectrum    3 weight  0.11000E+01 volume  0.56613E-02 ppm1      8.217 ppm2      1.040 CV     1
 ASSI {  171}
   (( segid "ENHF" and resid 16   and name HN  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      3.600     1.300     1.300 peak   171 spectrum    3 weight  0.11000E+01 volume  0.12335E-02 ppm1      8.215 ppm2      0.907 CV     1
 ASSI {  174}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 44   and name HN  ))
      4.300     1.800     1.700 peak   174 spectrum    3 weight  0.11000E+01 volume  0.27315E-03 ppm1      8.175 ppm2      8.366 CV     1
 ASSI {  175}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 47   and name HN  ))
      2.500     0.600     0.600 peak   175 spectrum    3 weight  0.10000E+01 volume  0.51723E-02 ppm1      8.172 ppm2      7.805 CV     1
 ASSI {  176}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 45   and name HA  ))
      3.900     1.500     1.500 peak   176 spectrum    3 weight  0.10000E+01 volume  0.42178E-03 ppm1      8.172 ppm2      4.195 CV     1
 ASSI {  177}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 46   and name HA  ))
      2.400     0.600     0.600 peak   177 spectrum    3 weight  0.10000E+01 volume  0.74158E-02 ppm1      8.173 ppm2      4.074 CV     1
 ASSI {  178}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 45   and name HB1 ))
      3.700     1.400     1.400 peak   178 spectrum    3 weight  0.10000E+01 volume  0.78164E-03 ppm1      8.173 ppm2      3.290 CV     1
 ASSI {  179}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 45   and name HB2 ))
      3.100     0.900     0.900 peak   179 spectrum    3 weight  0.11000E+01 volume  0.11407E-02 ppm1      8.172 ppm2      3.185 CV     1
 ASSI {  180}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG1 ))
      3.600     1.300     1.300 peak   180 spectrum    3 weight  0.11000E+01 volume  0.12118E-02 ppm1      8.173 ppm2      2.500 CV     1
 ASSI {  181}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG2 ))
      3.500     1.200     1.200 peak   181 spectrum    3 weight  0.10000E+01 volume  0.71794E-03 ppm1      8.174 ppm2      2.306 CV     1
 ASSI {  182}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB1 ))
      2.300     0.500     0.500 peak   182 spectrum    3 weight  0.10000E+01 volume  0.82714E-02 ppm1      8.173 ppm2      2.195 CV     1
 ASSI {  183}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB2 ))
      2.800     0.800     0.800 peak   183 spectrum    3 weight  0.11000E+01 volume  0.26233E-02 ppm1      8.173 ppm2      2.091 CV     1
 ASSI {  184}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 28   and name HN  ))
      2.700     0.700     0.700 peak   184 spectrum    3 weight  0.11000E+01 volume  0.26283E-02 ppm1      8.144 ppm2      8.705 CV     1
 ASSI {  186}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 30   and name HN  ))
      2.400     0.600     0.600 peak   186 spectrum    3 weight  0.11000E+01 volume  0.55107E-02 ppm1      8.146 ppm2      7.946 CV     1
 ASSI {  188}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 28   and name HB1 ))
      2.600     0.700     0.700 peak   188 spectrum    3 weight  0.11000E+01 volume  0.28535E-02 ppm1      8.143 ppm2      3.389 CV     1
 ASSI {  189}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 29   and name HG1 ))
      3.400     1.200     1.200 peak   189 spectrum    3 weight  0.11000E+01 volume  0.12972E-02 ppm1      8.143 ppm2      2.555 CV     1
 ASSI {  190}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      2.700     0.700     0.700 peak   190 spectrum    3 weight  0.10000E+01 volume  0.34345E-02 ppm1      8.143 ppm2      2.166 CV     1
 OR {  190}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 ASSI {  194}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 11   and name HN  ))
      2.500     0.600     0.600 peak   194 spectrum    3 weight  0.10000E+01 volume  0.51564E-02 ppm1      8.113 ppm2      7.744 CV     1
 ASSI {  195}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 7    and name HA  ))
      4.600     2.100     1.400 peak   195 spectrum    3 weight  0.11000E+01 volume  0.13306E-03 ppm1      8.111 ppm2      4.507 CV     1
 ASSI {  197}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 9    and name HA  ))
      3.700     1.300     1.300 peak   197 spectrum    3 weight  0.11000E+01 volume  0.52705E-03 ppm1      8.111 ppm2      3.632 CV     1
 ASSI {  199}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
      2.200     0.500     0.500 peak   199 spectrum    3 weight  0.10000E+01 volume  0.10665E-01 ppm1      8.110 ppm2      2.252 CV     1
 OR {  199}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 9    and name HB2 ))
 ASSI {  201}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 44   and name HN  ))
      2.500     0.600     0.600 peak   201 spectrum    3 weight  0.10000E+01 volume  0.44431E-02 ppm1      8.100 ppm2      8.365 CV     1
 ASSI {  202}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 42   and name HB1 ))
      2.300     0.500     0.500 peak   202 spectrum    3 weight  0.10000E+01 volume  0.86930E-02 ppm1      8.099 ppm2      1.987 CV     1
 OR {  202}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 42   and name HB2 ))
 ASSI {  203}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 45   and name HN  ))
      6.000     3.700     0.000 peak   203 spectrum    3 weight  0.11000E+01 volume  0.36387E-04 ppm1      8.098 ppm2      8.483 CV     1
 ASSI {  204}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 47   and name HN  ))
      4.800     2.300     1.200 peak   204 spectrum    3 weight  0.10000E+01 volume  0.13384E-03 ppm1      8.099 ppm2      7.803 CV     1
 ASSI {  205}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 43   and name HA  ))
      2.500     0.600     0.600 peak   205 spectrum    3 weight  0.10000E+01 volume  0.53314E-02 ppm1      8.099 ppm2      4.067 CV     1
 ASSI {  206}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 43   and name HG1 ))
      3.700     1.400     1.400 peak   206 spectrum    3 weight  0.10000E+01 volume  0.11941E-02 ppm1      8.100 ppm2      2.554 CV     1
 ASSI {  210}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 38   and name HA  ))
      5.600     3.100     0.400 peak   210 spectrum    3 weight  0.11000E+01 volume  0.42841E-04 ppm1      8.086 ppm2      3.823 CV     1
 ASSI {  211}
   (( segid "ENHF" and resid 41   and name HN  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      3.200     3.200     2.800 peak   211 spectrum    3 weight  0.11000E+01 volume  0.18074E-02 ppm1      8.085 ppm2      0.566 CV     1
 ASSI {  212}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 41   and name HA  ))
      3.400     1.200     1.200 peak   212 spectrum    3 weight  0.10000E+01 volume  0.73784E-03 ppm1      8.083 ppm2      3.458 CV     1
 ASSI {  213}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 41   and name HB  ))
      2.400     0.600     0.600 peak   213 spectrum    3 weight  0.10000E+01 volume  0.54379E-02 ppm1      8.086 ppm2      1.798 CV     1
 OR {  213}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 41   and name HG11))
 ASSI {  214}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 41   and name HG12))
      2.800     0.800     0.800 peak   214 spectrum    3 weight  0.10000E+01 volume  0.32064E-02 ppm1      8.082 ppm2      1.704 CV     1
 ASSI {  216}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 37   and name HN  ))
      5.800     3.400     0.200 peak   216 spectrum    3 weight  0.10000E+01 volume  0.13796E-03 ppm1      8.070 ppm2      8.296 CV     1
 ASSI {  217}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
      2.700     0.700     0.700 peak   217 spectrum    3 weight  0.11000E+01 volume  0.21578E-02 ppm1      8.068 ppm2      4.234 CV     1
 ASSI {  218}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 39   and name HA  ))
      4.100     1.600     1.600 peak   218 spectrum    3 weight  0.10000E+01 volume  0.27899E-03 ppm1      8.069 ppm2      4.107 CV     1
 ASSI {  219}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 39   and name HG1 ))
      5.900     3.400     0.100 peak   219 spectrum    3 weight  0.10000E+01 volume  0.35916E-04 ppm1      8.069 ppm2      2.311 CV     1
 OR {  219}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 39   and name HG2 ))
 ASSI {  220}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 39   and name HB1 ))
      3.000     0.900     0.900 peak   220 spectrum    3 weight  0.10000E+01 volume  0.89302E-03 ppm1      8.067 ppm2      2.071 CV     1
 ASSI {  221}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 39   and name HB2 ))
      3.900     1.500     1.500 peak   221 spectrum    3 weight  0.10000E+01 volume  0.11369E-02 ppm1      8.067 ppm2      1.996 CV     1
 ASSI {  222}
   (( segid "ENHF" and resid 40   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      2.100     0.500     0.500 peak   222 spectrum    3 weight  0.10000E+01 volume  0.92124E-02 ppm1      8.067 ppm2      1.553 CV     1
 ASSI {  227}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 42   and name HB2 ))
      2.200     0.500     0.500 peak   227 spectrum    3 weight  0.10000E+01 volume  0.10849E-01 ppm1      8.066 ppm2      1.981 CV     1
 OR {  227}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 42   and name HB1 ))
 ASSI {  228}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 41   and name HB  ))
      2.400     0.600     0.600 peak   228 spectrum    3 weight  0.10000E+01 volume  0.54378E-02 ppm1      8.066 ppm2      1.791 CV     1
 ASSI {  229}
   (( segid "ENHF" and resid 42   and name HN  ))
   (  segid "ENHF" and resid 41   and name HG2%)
      5.600     3.100     0.400 peak   229 spectrum    3 weight  0.10000E+01 volume  0.56761E-04 ppm1      8.066 ppm2      0.622 CV     1
 ASSI {  230}
   (( segid "ENHF" and resid 42   and name HN  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      5.300     2.800     0.700 peak   230 spectrum    3 weight  0.10000E+01 volume  0.34991E-04 ppm1      8.064 ppm2      0.501 CV     1
 ASSI {  231}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 2    and name HA  ))
      2.400     0.600     0.600 peak   231 spectrum    3 weight  0.11000E+01 volume  0.64646E-02 ppm1      8.036 ppm2      4.075 CV     1
 ASSI {  232}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      3.100     0.900     0.900 peak   232 spectrum    3 weight  0.11000E+01 volume  0.12507E-02 ppm1      8.036 ppm2      1.748 CV     1
 ASSI {  233}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 2    and name HB2 ))
      5.500     3.000     0.500 peak   233 spectrum    3 weight  0.11000E+01 volume  0.41428E-04 ppm1      8.036 ppm2      1.310 CV     1
 ASSI {  236}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 4    and name HN  ))
      3.600     1.300     1.300 peak   236 spectrum    3 weight  0.10000E+01 volume  0.61896E-03 ppm1      8.033 ppm2      7.497 CV     1
 ASSI {  237}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 3    and name HA  ))
      3.500     1.200     1.200 peak   237 spectrum    3 weight  0.11000E+01 volume  0.71798E-03 ppm1      8.035 ppm2      4.190 CV     1
 ASSI {  238}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 3    and name HG2 ))
      4.700     2.200     1.300 peak   238 spectrum    3 weight  0.10000E+01 volume  0.13721E-03 ppm1      8.035 ppm2      2.219 CV     1
 OR {  238}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 3    and name HG1 ))
 ASSI {  239}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 3    and name HB1 ))
      5.100     2.600     0.900 peak   239 spectrum    3 weight  0.11000E+01 volume  0.14373E-03 ppm1      8.033 ppm2      2.084 CV     1
 ASSI {  240}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 47   and name HN  ))
      2.400     0.600     0.600 peak   240 spectrum    3 weight  0.10000E+01 volume  0.66749E-02 ppm1      8.037 ppm2      7.808 CV     1
 ASSI {  242}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 48   and name HA  ))
      2.600     0.700     0.700 peak   242 spectrum    3 weight  0.10000E+01 volume  0.40374E-02 ppm1      8.038 ppm2      4.196 CV     1
 ASSI {  244}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
      2.500     0.600     0.600 peak   244 spectrum    3 weight  0.11000E+01 volume  0.48291E-02 ppm1      8.038 ppm2      2.881 CV     1
 ASSI {  245}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      2.300     0.500     0.500 peak   245 spectrum    3 weight  0.11000E+01 volume  0.71527E-02 ppm1      8.037 ppm2      2.620 CV     1
 ASSI {  247}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 47   and name HG1 ))
      5.200     2.700     0.800 peak   247 spectrum    3 weight  0.11000E+01 volume  0.11300E-03 ppm1      8.034 ppm2      2.311 CV     1
 ASSI {  253}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 13   and name HA  ))
      3.800     1.500     1.500 peak   253 spectrum    3 weight  0.11000E+01 volume  0.37088E-03 ppm1      8.029 ppm2      3.881 CV     1
 ASSI {  254}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 14   and name HG1 ))
      2.700     0.700     0.700 peak   254 spectrum    3 weight  0.10000E+01 volume  0.25038E-02 ppm1      8.028 ppm2      2.334 CV     1
 OR {  254}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 ASSI {  255}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB2 ))
      2.300     0.500     0.500 peak   255 spectrum    3 weight  0.10000E+01 volume  0.75918E-02 ppm1      8.027 ppm2      2.113 CV     1
 OR {  255}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB1 ))
 ASSI {  257}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 50   and name HN  ))
      2.300     0.500     0.500 peak   257 spectrum    3 weight  0.10000E+01 volume  0.69376E-02 ppm1      8.019 ppm2      7.837 CV     1
 ASSI {  258}
   (( segid "ENHF" and resid 49   and name HN  ))
   (  segid "ENHF" and resid 48   and name HD% )
      4.700     2.200     1.300 peak   258 spectrum    3 weight  0.11000E+01 volume  0.12681E-03 ppm1      8.019 ppm2      7.034 CV     1
 ASSI {  260}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
      2.500     0.600     0.600 peak   260 spectrum    3 weight  0.10000E+01 volume  0.38890E-02 ppm1      8.018 ppm2      2.884 CV     1
 ASSI {  261}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      6.000     4.000     0.000 peak   261 spectrum    3 weight  0.11000E+01 volume  0.57058E-04 ppm1      8.018 ppm2      2.629 CV     1
 ASSI {  262}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 49   and name HG1 ))
      2.700     0.700     0.700 peak   262 spectrum    3 weight  0.10000E+01 volume  0.28096E-02 ppm1      8.018 ppm2      2.224 CV     1
 OR {  262}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 49   and name HG2 ))
 ASSI {  265}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 31   and name HN  ))
      2.600     0.700     0.700 peak   265 spectrum    3 weight  0.11000E+01 volume  0.34906E-02 ppm1      8.001 ppm2      8.294 CV     1
 ASSI {  266}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 33   and name HN  ))
      2.200     0.500     0.500 peak   266 spectrum    3 weight  0.11000E+01 volume  0.81644E-02 ppm1      8.001 ppm2      7.807 CV     1
 ASSI {  268}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      5.800     3.300     0.200 peak   268 spectrum    3 weight  0.11000E+01 volume  0.40556E-04 ppm1      8.002 ppm2      3.522 CV     1
 ASSI {  269}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 32   and name HG1 ))
      3.400     1.200     1.200 peak   269 spectrum    3 weight  0.10000E+01 volume  0.78853E-03 ppm1      7.999 ppm2      2.341 CV     1
 ASSI {  270}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 32   and name HG2 ))
      5.700     3.300     0.300 peak   270 spectrum    3 weight  0.10000E+01 volume  0.57930E-04 ppm1      8.002 ppm2      2.198 CV     1
 ASSI {  271}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB2 ))
      2.100     0.500     0.500 peak   271 spectrum    3 weight  0.11000E+01 volume  0.95395E-02 ppm1      8.001 ppm2      2.003 CV     1
 ASSI {  272}
   (( segid "ENHF" and resid 32   and name HN  ))
   (  segid "ENHF" and resid 31   and name HB% )
      2.600     0.700     0.700 peak   272 spectrum    3 weight  0.10000E+01 volume  0.33071E-02 ppm1      8.002 ppm2      1.266 CV     1
 ASSI {  276}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB2 ))
      2.900     0.800     0.800 peak   276 spectrum    3 weight  0.10000E+01 volume  0.22718E-02 ppm1      7.993 ppm2      2.091 CV     1
 OR {  276}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB1 ))
 ASSI {  277}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 17   and name HN  ))
      5.500     3.000     0.500 peak   277 spectrum    3 weight  0.11000E+01 volume  0.89953E-04 ppm1      7.993 ppm2      7.744 CV     1
 ASSI {  279}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 15   and name HA  ))
      2.700     0.700     0.700 peak   279 spectrum    3 weight  0.10000E+01 volume  0.27181E-02 ppm1      7.992 ppm2      4.104 CV     1
 ASSI {  280}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 13   and name HA  ))
      5.800     3.300     0.200 peak   280 spectrum    3 weight  0.10000E+01 volume  0.35026E-04 ppm1      7.993 ppm2      3.876 CV     1
 ASSI {  281}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      2.000     0.400     0.400 peak   281 spectrum    3 weight  0.11000E+01 volume  0.15077E-01 ppm1      7.993 ppm2      3.067 CV     1
 ASSI {  282}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 50   and name HN  ))
      2.400     0.600     0.600 peak   282 spectrum    3 weight  0.10000E+01 volume  0.61478E-02 ppm1      7.972 ppm2      7.855 CV     1
 ASSI {  283}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 50   and name HE21))
      5.200     2.700     0.800 peak   283 spectrum    3 weight  0.11000E+01 volume  0.39701E-04 ppm1      7.974 ppm2      7.543 CV     1
 ASSI {  284}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 50   and name HA  ))
      2.400     2.400     3.600 peak   284 spectrum    3 weight  0.10000E+01 volume  0.71343E-02 ppm1      7.973 ppm2      4.211 CV     1
 ASSI {  285}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 50   and name HB1 ))
      5.200     2.700     0.800 peak   285 spectrum    3 weight  0.10000E+01 volume  0.94038E-04 ppm1      7.971 ppm2      2.108 CV     1
 ASSI {  286}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 50   and name HB2 ))
      4.400     2.000     1.600 peak   286 spectrum    3 weight  0.10000E+01 volume  0.14621E-03 ppm1      7.973 ppm2      1.991 CV     1
 ASSI {  287}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 51   and name HB1 ))
      3.500     1.200     1.200 peak   287 spectrum    3 weight  0.11000E+01 volume  0.17667E-02 ppm1      7.973 ppm2      1.811 CV     1
 ASSI {  288}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 51   and name HB2 ))
      2.400     0.600     0.600 peak   288 spectrum    3 weight  0.10000E+01 volume  0.43697E-02 ppm1      7.972 ppm2      1.700 CV     1
 ASSI {  289}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 51   and name HG1 ))
      2.800     0.800     0.800 peak   289 spectrum    3 weight  0.10000E+01 volume  0.25495E-02 ppm1      7.972 ppm2      1.587 CV     1
 OR {  289}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 ASSI {  290}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB2 ))
      4.000     1.600     1.600 peak   290 spectrum    3 weight  0.11000E+01 volume  0.31583E-03 ppm1      7.935 ppm2      2.071 CV     1
 ASSI {  292}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG12))
      6.000     3.600     0.000 peak   292 spectrum    3 weight  0.11000E+01 volume  0.39091E-04 ppm1      7.939 ppm2      1.203 CV     1
 ASSI {  296}
   (( segid "ENHF" and resid 22   and name HN  ))
   (  segid "ENHF" and resid 22   and name HG2%)
      4.000     1.600     1.600 peak   296 spectrum    3 weight  0.10000E+01 volume  0.28656E-03 ppm1      7.933 ppm2      0.826 CV     1
 ASSI {  297}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 52   and name HA  ))
      3.100     0.900     0.900 peak   297 spectrum    3 weight  0.10000E+01 volume  0.14603E-02 ppm1      7.890 ppm2      4.066 CV     1
 ASSI {  299}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 51   and name HA  ))
      2.300     0.500     0.500 peak   299 spectrum    3 weight  0.11000E+01 volume  0.77054E-02 ppm1      7.889 ppm2      4.262 CV     1
 ASSI {  300}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 52   and name HG1 ))
      3.200     1.000     1.000 peak   300 spectrum    3 weight  0.11000E+01 volume  0.12529E-02 ppm1      7.888 ppm2      1.331 CV     1
 ASSI {  302}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HA  ))
      2.500     0.600     0.600 peak   302 spectrum    3 weight  0.10000E+01 volume  0.49196E-02 ppm1      7.838 ppm2      4.203 CV     1
 ASSI {  303}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 49   and name HA  ))
      2.400     2.400     3.600 peak   303 spectrum    3 weight  0.10000E+01 volume  0.75252E-02 ppm1      7.837 ppm2      4.039 CV     1
 ASSI {  304}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HG1 ))
      2.800     0.800     0.800 peak   304 spectrum    3 weight  0.10000E+01 volume  0.23855E-02 ppm1      7.838 ppm2      2.368 CV     1
 OR {  304}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 ASSI {  305}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HB1 ))
      3.400     1.100     1.100 peak   305 spectrum    3 weight  0.10000E+01 volume  0.19132E-02 ppm1      7.838 ppm2      2.104 CV     1
 ASSI {  308}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 34   and name HN  ))
      2.500     0.600     0.600 peak   308 spectrum    3 weight  0.10000E+01 volume  0.44155E-02 ppm1      7.823 ppm2      7.405 CV     1
 ASSI {  310}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB2 ))
      2.600     0.700     0.700 peak   310 spectrum    3 weight  0.11000E+01 volume  0.45402E-02 ppm1      7.823 ppm2      2.003 CV     1
 ASSI {  311}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 33   and name HB2 ))
      2.100     0.500     0.500 peak   311 spectrum    3 weight  0.11000E+01 volume  0.11125E-01 ppm1      7.823 ppm2      1.823 CV     1
 ASSI {  312}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 33   and name HG2 ))
      5.900     3.400     0.100 peak   312 spectrum    3 weight  0.11000E+01 volume  0.95573E-04 ppm1      7.822 ppm2      1.565 CV     1
 ASSI {  313}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 29   and name HE21))
      4.600     2.100     1.400 peak   313 spectrum    3 weight  0.10000E+01 volume  0.10722E-03 ppm1      7.820 ppm2      7.630 CV     1
 ASSI {  316}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB1 ))
      2.800     0.800     0.800 peak   316 spectrum    3 weight  0.10000E+01 volume  0.21847E-02 ppm1      7.806 ppm2      2.191 CV     1
 ASSI {  317}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 47   and name HB1 ))
      2.200     0.500     0.500 peak   317 spectrum    3 weight  0.10000E+01 volume  0.10618E-01 ppm1      7.806 ppm2      1.948 CV     1
 OR {  317}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 47   and name HB2 ))
 ASSI {  320}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 27   and name HN  ))
      2.700     0.800     0.800 peak   320 spectrum    3 weight  0.11000E+01 volume  0.23172E-02 ppm1      7.758 ppm2      8.214 CV     1
 ASSI {  321}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 26   and name HA  ))
      3.100     1.000     1.000 peak   321 spectrum    3 weight  0.10000E+01 volume  0.12814E-02 ppm1      7.759 ppm2      4.020 CV     1
 ASSI {  322}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      2.500     0.600     0.600 peak   322 spectrum    3 weight  0.10000E+01 volume  0.72211E-02 ppm1      7.757 ppm2      2.290 CV     1
 OR {  322}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 OR {  322}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  323}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      4.400     4.400     1.600 peak   323 spectrum    3 weight  0.10000E+01 volume  0.10817E-03 ppm1      7.758 ppm2      2.050 CV     1
 ASSI {  325}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 28   and name HN  ))
      4.600     2.100     1.400 peak   325 spectrum    3 weight  0.11000E+01 volume  0.18975E-03 ppm1      7.754 ppm2      8.660 CV     1
 ASSI {  329}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 12   and name HN  ))
      2.500     0.600     0.600 peak   329 spectrum    3 weight  0.10000E+01 volume  0.40714E-02 ppm1      7.749 ppm2      8.269 CV     1
 ASSI {  334}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 10   and name HN  ))
      5.700     3.300     0.300 peak   334 spectrum    3 weight  0.11000E+01 volume  0.35428E-04 ppm1      7.724 ppm2      8.130 CV     1
 ASSI {  335}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 4    and name HE3 ))
      4.700     2.200     1.300 peak   335 spectrum    3 weight  0.10000E+01 volume  0.14324E-03 ppm1      7.726 ppm2      7.495 CV     1
 OR {  335}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 4    and name HN  ))
 ASSI {  336}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 7    and name HA  ))
      2.900     0.800     0.800 peak   336 spectrum    3 weight  0.11000E+01 volume  0.22287E-02 ppm1      7.727 ppm2      4.507 CV     1
 ASSI {  337}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB1 ))
      4.900     2.400     1.100 peak   337 spectrum    3 weight  0.10000E+01 volume  0.80101E-04 ppm1      7.725 ppm2      4.168 CV     1
 ASSI {  338}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 8    and name HA  ))
      2.800     0.800     0.800 peak   338 spectrum    3 weight  0.11000E+01 volume  0.22231E-02 ppm1      7.726 ppm2      3.519 CV     1
 ASSI {  339}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 7    and name HB1 ))
      3.100     3.100     2.900 peak   339 spectrum    3 weight  0.11000E+01 volume  0.13121E-02 ppm1      7.728 ppm2      2.770 CV     1
 ASSI {  340}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 8    and name HB  ))
      2.200     0.500     0.500 peak   340 spectrum    3 weight  0.10000E+01 volume  0.79326E-02 ppm1      7.726 ppm2      2.096 CV     1
 ASSI {  341}
   (( segid "ENHF" and resid 8    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG2%)
      2.300     2.300     3.700 peak   341 spectrum    3 weight  0.11000E+01 volume  0.55178E-02 ppm1      7.726 ppm2      0.949 CV     1
 ASSI {  342}
   (( segid "ENHF" and resid 8    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.100     1.700     1.700 peak   342 spectrum    3 weight  0.11000E+01 volume  0.63887E-03 ppm1      7.723 ppm2      0.628 CV     1
 ASSI {  343}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HA  ))
      2.900     0.900     0.900 peak   343 spectrum    3 weight  0.10000E+01 volume  0.18631E-02 ppm1      7.744 ppm2      4.090 CV     1
 ASSI {  348}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 19   and name HN  ))
      3.200     1.100     1.100 peak   348 spectrum    3 weight  0.11000E+01 volume  0.11053E-02 ppm1      7.733 ppm2      7.557 CV     1
 ASSI {  352}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 18   and name HN  ))
      2.400     0.600     0.600 peak   352 spectrum    3 weight  0.10000E+01 volume  0.53148E-02 ppm1      7.728 ppm2      7.437 CV     1
 ASSI {  355}
   (( segid "ENHF" and resid 17   and name HN  ))
   (  segid "ENHF" and resid 16   and name HG1%)
      3.500     1.200     1.200 peak   355 spectrum    3 weight  0.10000E+01 volume  0.93170E-03 ppm1      7.727 ppm2      0.906 CV     1
 ASSI {  358}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 35   and name HA2 ))
      2.200     0.500     0.500 peak   358 spectrum    3 weight  0.11000E+01 volume  0.75927E-02 ppm1      7.689 ppm2      3.699 CV     1
 ASSI {  359}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 34   and name HB1 ))
      4.500     2.000     1.500 peak   359 spectrum    3 weight  0.11000E+01 volume  0.23069E-03 ppm1      7.690 ppm2      1.480 CV     1
 ASSI {  362}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 19   and name HA  ))
      3.600     1.300     1.300 peak   362 spectrum    3 weight  0.11000E+01 volume  0.63793E-03 ppm1      7.558 ppm2      4.550 CV     1
 ASSI {  363}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 19   and name HB2 ))
      3.700     1.400     1.400 peak   363 spectrum    3 weight  0.11000E+01 volume  0.35140E-03 ppm1      7.558 ppm2      2.524 CV     1
 ASSI {  364}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 4    and name HB2 ))
      4.600     2.200     1.400 peak   364 spectrum    3 weight  0.11000E+01 volume  0.14536E-03 ppm1      7.505 ppm2      3.111 CV     1
 ASSI {  366}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 4    and name HA  ))
      4.400     2.000     1.600 peak   366 spectrum    3 weight  0.11000E+01 volume  0.14334E-03 ppm1      7.501 ppm2      4.776 CV     1
 ASSI {  367}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 3    and name HA  ))
      3.400     1.100     1.100 peak   367 spectrum    3 weight  0.10000E+01 volume  0.10594E-02 ppm1      7.501 ppm2      4.192 CV     1
 ASSI {  368}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 4    and name HB1 ))
      5.700     3.200     0.300 peak   368 spectrum    3 weight  0.11000E+01 volume  0.31293E-04 ppm1      7.498 ppm2      3.359 CV     1
 ASSI {  370}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 19   and name HN  ))
      2.400     0.600     0.600 peak   370 spectrum    3 weight  0.11000E+01 volume  0.52923E-02 ppm1      7.439 ppm2      7.561 CV     1
 ASSI {  371}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 18   and name HA  ))
      2.600     0.700     0.700 peak   371 spectrum    3 weight  0.10000E+01 volume  0.34406E-02 ppm1      7.438 ppm2      4.110 CV     1
 ASSI {  372}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 14   and name HA  ))
      3.100     1.000     1.000 peak   372 spectrum    3 weight  0.10000E+01 volume  0.10739E-02 ppm1      7.437 ppm2      3.996 CV     1
 ASSI {  373}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 17   and name HB2 ))
      2.700     0.700     0.700 peak   373 spectrum    3 weight  0.10000E+01 volume  0.31738E-02 ppm1      7.438 ppm2      1.887 CV     1
 OR {  373}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 ASSI {  375}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG2 ))
      2.400     0.600     0.600 peak   375 spectrum    3 weight  0.10000E+01 volume  0.68393E-02 ppm1      7.439 ppm2      1.503 CV     1
 OR {  375}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
 ASSI {  376}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 21   and name HN  ))
      4.500     2.000     1.500 peak   376 spectrum    3 weight  0.10000E+01 volume  0.20882E-03 ppm1      7.436 ppm2      8.421 CV     1
 ASSI {  378}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 35   and name HN  ))
      2.400     0.600     0.600 peak   378 spectrum    3 weight  0.11000E+01 volume  0.44996E-02 ppm1      7.403 ppm2      7.688 CV     1
 ASSI {  380}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 33   and name HA  ))
      3.900     1.500     1.500 peak   380 spectrum    3 weight  0.10000E+01 volume  0.38165E-03 ppm1      7.403 ppm2      3.975 CV     1
 ASSI {  381}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      5.200     2.700     0.800 peak   381 spectrum    3 weight  0.11000E+01 volume  0.59343E-04 ppm1      7.400 ppm2      3.516 CV     1
 ASSI {  382}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 33   and name HB2 ))
      3.100     0.900     0.900 peak   382 spectrum    3 weight  0.10000E+01 volume  0.13579E-02 ppm1      7.403 ppm2      1.814 CV     1
 OR {  382}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 33   and name HB1 ))
 ASSI {  384}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      2.900     0.900     0.900 peak   384 spectrum    3 weight  0.10000E+01 volume  0.12823E-02 ppm1      7.404 ppm2      1.370 CV     1
 ASSI {  385}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 34   and name HG  ))
      2.600     0.700     0.700 peak   385 spectrum    3 weight  0.10000E+01 volume  0.36477E-02 ppm1      7.403 ppm2      1.213 CV     1
 ASSI {  386}
   (( segid "ENHF" and resid 34   and name HN  ))
   (  segid "ENHF" and resid 34   and name HD2%)
      4.900     2.400     1.100 peak   386 spectrum    3 weight  0.10000E+01 volume  0.14910E-03 ppm1      7.401 ppm2      0.532 CV     1
 ASSI {  387}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 35   and name HN  ))
      2.300     0.500     0.500 peak   387 spectrum    3 weight  0.10000E+01 volume  0.64144E-02 ppm1      7.363 ppm2      7.688 CV     1
 ASSI {  388}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 35   and name HA2 ))
      3.900     1.600     1.600 peak   388 spectrum    3 weight  0.11000E+01 volume  0.30310E-03 ppm1      7.366 ppm2      3.703 CV     1
 ASSI {  389}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 36   and name HG  ))
      2.400     0.600     0.600 peak   389 spectrum    3 weight  0.10000E+01 volume  0.55053E-02 ppm1      7.364 ppm2      1.441 CV     1
 OR {  389}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  391}
   (( segid "ENHF" and resid 36   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD2%)
      5.700     3.300     0.300 peak   391 spectrum    3 weight  0.11000E+01 volume  0.37800E-04 ppm1      7.366 ppm2      0.611 CV     1
 ASSI {  392}
   (( segid "ENHF" and resid 36   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      3.800     1.400     1.400 peak   392 spectrum    3 weight  0.10000E+01 volume  0.83489E-03 ppm1      7.364 ppm2      0.504 CV     1
 ASSI {  393}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 36   and name HA  ))
      2.800     0.800     0.800 peak   393 spectrum    3 weight  0.11000E+01 volume  0.22219E-02 ppm1      7.361 ppm2      4.409 CV     1
 ASSI {  394}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 32   and name HA  ))
      2.900     0.800     0.800 peak   394 spectrum    3 weight  0.10000E+01 volume  0.17735E-02 ppm1      7.361 ppm2      4.041 CV     1
 ASSI {  396}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 4    and name HZ2 ))
      3.500     1.200     1.200 peak   396 spectrum    3 weight  0.11000E+01 volume  0.70972E-03 ppm1     10.684 ppm2      7.399 CV     1
 ASSI {  397}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      2.700     0.700     0.700 peak   397 spectrum    3 weight  0.11000E+01 volume  0.35531E-02 ppm1     10.686 ppm2      7.268 CV     1
 ASSI {  399}
   (( segid "ENHF" and resid 37   and name HD21))
   (( segid "ENHF" and resid 37   and name HD22))
      1.600     0.200     0.600 peak   399 spectrum    3 weight  0.11000E+01 volume  0.31493E-01 ppm1      7.696 ppm2      6.962 CV     1
 ASSI {  400}
   (( segid "ENHF" and resid 37   and name HD21))
   (( segid "ENHF" and resid 37   and name HB1 ))
      4.400     1.900     1.600 peak   400 spectrum    3 weight  0.11000E+01 volume  0.18085E-03 ppm1      7.697 ppm2      3.187 CV     1
 ASSI {  401}
   (( segid "ENHF" and resid 37   and name HD21))
   (( segid "ENHF" and resid 37   and name HB2 ))
      3.100     1.000     1.000 peak   401 spectrum    3 weight  0.10000E+01 volume  0.76291E-03 ppm1      7.695 ppm2      2.920 CV     1
 ASSI {  402}
   (( segid "ENHF" and resid 43   and name HE21))
   (( segid "ENHF" and resid 43   and name HE22))
      1.700     0.300     0.500 peak   402 spectrum    3 weight  0.11000E+01 volume  0.33958E-01 ppm1      7.696 ppm2      6.778 CV     1
 ASSI {  403}
   (( segid "ENHF" and resid 7    and name HD21))
   (( segid "ENHF" and resid 7    and name HD22))
      1.600     0.300     0.600 peak   403 spectrum    3 weight  0.11000E+01 volume  0.39614E-01 ppm1      7.678 ppm2      7.008 CV     1
 ASSI {  404}
   (( segid "ENHF" and resid 7    and name HD21))
   (( segid "ENHF" and resid 7    and name HB2 ))
      4.900     2.400     1.100 peak   404 spectrum    3 weight  0.11000E+01 volume  0.60791E-04 ppm1      7.679 ppm2      2.781 CV     1
 ASSI {  405}
   (( segid "ENHF" and resid 29   and name HE21))
   (( segid "ENHF" and resid 29   and name HE22))
      1.700     0.300     0.500 peak   405 spectrum    3 weight  0.11000E+01 volume  0.29960E-01 ppm1      7.600 ppm2      6.847 CV     1
 ASSI {  406}
   (( segid "ENHF" and resid 29   and name HE21))
   (( segid "ENHF" and resid 29   and name HG1 ))
      5.500     3.000     0.500 peak   406 spectrum    3 weight  0.11000E+01 volume  0.37974E-04 ppm1      7.599 ppm2      2.552 CV     1
 ASSI {  407}
   (( segid "ENHF" and resid 50   and name HE21))
   (( segid "ENHF" and resid 50   and name HE22))
      1.600     0.300     0.600 peak   407 spectrum    3 weight  0.11000E+01 volume  0.38306E-01 ppm1      7.550 ppm2      6.846 CV     1
 ASSI {  408}
   (( segid "ENHF" and resid 50   and name HE21))
   (( segid "ENHF" and resid 50   and name HG1 ))
      5.200     2.700     0.800 peak   408 spectrum    3 weight  0.10000E+01 volume  0.59919E-04 ppm1      7.550 ppm2      2.358 CV     1
 OR {  408}
   (( segid "ENHF" and resid 50   and name HE21))
   (( segid "ENHF" and resid 50   and name HG2 ))
 ASSI {  409}
   (( segid "ENHF" and resid 32   and name HE21))
   (( segid "ENHF" and resid 32   and name HE22))
      1.800     0.300     0.400 peak   409 spectrum    3 weight  0.11000E+01 volume  0.21410E-01 ppm1      7.486 ppm2      6.788 CV     1
 ASSI {  410}
   (( segid "ENHF" and resid 32   and name HE21))
   (( segid "ENHF" and resid 32   and name HG2 ))
      5.600     3.200     0.400 peak   410 spectrum    3 weight  0.11000E+01 volume  0.37259E-04 ppm1      7.485 ppm2      2.203 CV     1
 ASSI {  411}
   (( segid "ENHF" and resid 24   and name HE21))
   (( segid "ENHF" and resid 24   and name HE22))
      1.700     0.300     0.500 peak   411 spectrum    3 weight  0.11000E+01 volume  0.33737E-01 ppm1      7.415 ppm2      6.814 CV     1
 ASSI {  412}
   (( segid "ENHF" and resid 3    and name HE21))
   (( segid "ENHF" and resid 3    and name HE22))
      1.900     0.400     0.400 peak   412 spectrum    3 weight  0.11000E+01 volume  0.15813E-01 ppm1      7.408 ppm2      6.665 CV     1
 ASSI {  413}
   (( segid "ENHF" and resid 3    and name HE21))
   (( segid "ENHF" and resid 3    and name HG2 ))
      4.300     1.900     1.700 peak   413 spectrum    3 weight  0.11000E+01 volume  0.14017E-03 ppm1      7.409 ppm2      2.211 CV     1
 ASSI {  416}
   (( segid "ENHF" and resid 37   and name HD22))
   (( segid "ENHF" and resid 37   and name HB1 ))
      5.000     2.500     1.000 peak   416 spectrum    3 weight  0.11000E+01 volume  0.11011E-03 ppm1      6.962 ppm2      3.181 CV     1
 ASSI {  417}
   (( segid "ENHF" and resid 37   and name HD22))
   (( segid "ENHF" and resid 37   and name HB2 ))
      5.600     3.200     0.400 peak   417 spectrum    3 weight  0.11000E+01 volume  0.57843E-04 ppm1      6.965 ppm2      2.920 CV     1
 ASSI {  424}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 9    and name HA  ))
      6.000     4.400     0.000 peak   424 spectrum    3 weight  0.11000E+01 volume  0.18647E-04 ppm1     10.687 ppm2      3.645 CV     1
 ASSI {  425}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (  segid "ENHF" and resid 40   and name HB% )
      6.000     4.900     0.000 peak   425 spectrum    3 weight  0.10000E+01 volume  0.17147E-04 ppm1     10.688 ppm2      1.541 CV     1
 ASSI {  426}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 52   and name HB1 ))
      3.700     1.400     1.400 peak   426 spectrum    3 weight  0.10000E+01 volume  0.59390E-03 ppm1      7.889 ppm2      1.749 CV     1
 ASSI {  428}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 38   and name HN  ))
      6.000     5.300     0.000 peak   428 spectrum    3 weight  0.11000E+01 volume  0.18350E-04 ppm1      8.071 ppm2      8.746 CV     1
 ASSI {  429}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 38   and name HA  ))
      6.000     3.900     0.000 peak   429 spectrum    3 weight  0.10000E+01 volume  0.24386E-04 ppm1      8.069 ppm2      3.813 CV     1
 ASSI {  431}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB2 ))
      5.700     3.300     0.300 peak   431 spectrum    3 weight  0.10000E+01 volume  0.77309E-04 ppm1      8.071 ppm2      2.918 CV     1
 ASSI {  433}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
      6.000     4.500     0.000 peak   433 spectrum    3 weight  0.10000E+01 volume  0.30230E-04 ppm1      8.067 ppm2      1.427 CV     1
 ASSI {  434}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 3    and name HN  ))
      6.000     3.700     0.000 peak   434 spectrum    3 weight  0.10000E+01 volume  0.15978E-04 ppm1      8.809 ppm2      8.033 CV     1
 ASSI {  435}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 7    and name HA  ))
      6.000     4.300     0.000 peak   435 spectrum    3 weight  0.10000E+01 volume  0.27787E-04 ppm1      8.808 ppm2      4.525 CV     1
 ASSI {  436}
   (( segid "ENHF" and resid 6    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG2%)
      6.000     5.800     0.000 peak   436 spectrum    3 weight  0.10000E+01 volume  0.14967E-04 ppm1      8.810 ppm2      0.990 CV     1
 ASSI {  437}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 52   and name HG1 ))
      6.000     4.800     0.000 peak   437 spectrum    3 weight  0.11000E+01 volume  0.19868E-04 ppm1      7.971 ppm2      1.309 CV     1
 ASSI {  438}
   (( segid "ENHF" and resid 51   and name HN  ))
   (( segid "ENHF" and resid 47   and name HA  ))
      4.900     2.400     1.100 peak   438 spectrum    3 weight  0.10000E+01 volume  0.91263E-04 ppm1      7.973 ppm2      4.066 CV     1
 ASSI {  439}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 23   and name HN  ))
      6.000     4.000     0.000 peak   439 spectrum    3 weight  0.10000E+01 volume  0.29043E-04 ppm1      7.933 ppm2      8.311 CV     1
 ASSI {  442}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 45   and name HZ  ))
      6.000     4.700     0.000 peak   442 spectrum    3 weight  0.10000E+01 volume  0.17810E-04 ppm1      8.220 ppm2      7.053 CV     1
 ASSI {  443}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG12))
      5.200     2.700     0.800 peak   443 spectrum    3 weight  0.11000E+01 volume  0.51388E-04 ppm1      8.214 ppm2      1.214 CV     1
 ASSI {  444}
   (( segid "ENHF" and resid 27   and name HN  ))
   (  segid "ENHF" and resid 22   and name HD1%)
      6.000     3.700     0.000 peak   444 spectrum    3 weight  0.10000E+01 volume  0.27474E-04 ppm1      8.216 ppm2      0.652 CV     1
 ASSI {  446}
   (( segid "ENHF" and resid 12   and name HN  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      6.000     3.800     0.000 peak   446 spectrum    3 weight  0.11000E+01 volume  0.27212E-04 ppm1      8.264 ppm2      0.385 CV     1
 ASSI {  447}
   (( segid "ENHF" and resid 12   and name HN  ))
   (  segid "ENHF" and resid 12   and name HD2%)
      6.000     5.100     0.000 peak   447 spectrum    3 weight  0.11000E+01 volume  0.28887E-04 ppm1      8.268 ppm2     -0.036 CV     1
 ASSI {  448}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 11   and name HA  ))
      4.300     1.800     1.700 peak   448 spectrum    3 weight  0.11000E+01 volume  0.20545E-03 ppm1      8.269 ppm2      4.089 CV     1
 ASSI {  449}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 23   and name HN  ))
      6.000     4.400     0.000 peak   449 spectrum    3 weight  0.11000E+01 volume  0.27857E-04 ppm1      9.024 ppm2      8.290 CV     1
 ASSI {  452}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      6.000     4.700     0.000 peak   452 spectrum    3 weight  0.10000E+01 volume  0.28380E-04 ppm1      9.028 ppm2      2.083 CV     1
 ASSI {  453}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 2    and name HB1 ))
      6.000     4.300     0.000 peak   453 spectrum    3 weight  0.10000E+01 volume  0.19467E-04 ppm1      8.037 ppm2      1.506 CV     1
 OR {  453}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 2    and name HD2 ))
 ASSI {  454}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 2    and name HG1 ))
      6.000     4.000     0.000 peak   454 spectrum    3 weight  0.11000E+01 volume  0.23636E-04 ppm1      8.040 ppm2      1.195 CV     1
 ASSI {  456}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      6.000     3.900     0.000 peak   456 spectrum    3 weight  0.10000E+01 volume  0.22729E-04 ppm1      7.825 ppm2      3.517 CV     1
 ASSI {  457}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 33   and name HD2 ))
      6.000     4.700     0.000 peak   457 spectrum    3 weight  0.11000E+01 volume  0.25328E-04 ppm1      7.826 ppm2      3.095 CV     1
 ASSI {  458}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      5.800     3.300     0.200 peak   458 spectrum    3 weight  0.10000E+01 volume  0.21263E-04 ppm1      7.822 ppm2      2.743 CV     1
 ASSI {  461}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 32   and name HG1 ))
      6.000     4.200     0.000 peak   461 spectrum    3 weight  0.10000E+01 volume  0.22136E-04 ppm1      7.823 ppm2      2.328 CV     1
 ASSI {  462}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 33   and name HG1 ))
      4.200     1.800     1.800 peak   462 spectrum    3 weight  0.11000E+01 volume  0.48734E-03 ppm1      7.823 ppm2      1.721 CV     1
 ASSI {  467}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 43   and name HG2 ))
      6.000     4.000     0.000 peak   467 spectrum    3 weight  0.11000E+01 volume  0.21002E-04 ppm1      8.367 ppm2      2.361 CV     1
 ASSI {  468}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 43   and name HG1 ))
      6.000     4.700     0.000 peak   468 spectrum    3 weight  0.10000E+01 volume  0.25293E-04 ppm1      8.367 ppm2      2.566 CV     1
 ASSI {  469}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 31   and name HN  ))
      2.600     0.700     0.700 peak   469 spectrum    3 weight  0.11000E+01 volume  0.32283E-02 ppm1      7.936 ppm2      8.290 CV     1
 ASSI {  473}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      6.000     5.400     0.000 peak   473 spectrum    3 weight  0.10000E+01 volume  0.15490E-04 ppm1      7.939 ppm2      3.498 CV     1
 ASSI {  474}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 29   and name HG1 ))
      6.000     6.000     0.000 peak   474 spectrum    3 weight  0.11000E+01 volume  0.20008E-04 ppm1      7.937 ppm2      2.590 CV     1
 ASSI {  475}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
      5.600     3.200     0.400 peak   475 spectrum    3 weight  0.10000E+01 volume  0.31590E-04 ppm1      7.936 ppm2      2.310 CV     1
 OR {  475}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  475}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 ASSI {  476}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 30   and name HB2 ))
      2.600     0.700     0.700 peak   476 spectrum    3 weight  0.11000E+01 volume  0.33969E-02 ppm1      7.937 ppm2      2.434 CV     1
 ASSI {  477}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB1 ))
      3.400     1.100     1.100 peak   477 spectrum    3 weight  0.10000E+01 volume  0.81295E-03 ppm1      7.939 ppm2      2.161 CV     1
 ASSI {  478}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 30   and name HB1 ))
      2.500     0.600     0.600 peak   478 spectrum    3 weight  0.11000E+01 volume  0.48181E-02 ppm1      7.937 ppm2      2.724 CV     1
 ASSI {  479}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 5    and name HA  ))
      6.000     4.100     0.000 peak   479 spectrum    3 weight  0.11000E+01 volume  0.27351E-04 ppm1      7.728 ppm2      4.391 CV     1
 ASSI {  480}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB2 ))
      5.800     3.400     0.200 peak   480 spectrum    3 weight  0.11000E+01 volume  0.32375E-04 ppm1      7.729 ppm2      3.923 CV     1
 ASSI {  481}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 9    and name HA  ))
      6.000     4.300     0.000 peak   481 spectrum    3 weight  0.10000E+01 volume  0.30265E-04 ppm1      7.729 ppm2      3.638 CV     1
 ASSI {  482}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
      6.000     4.300     0.000 peak   482 spectrum    3 weight  0.10000E+01 volume  0.27683E-04 ppm1      7.731 ppm2      2.219 CV     1
 OR {  482}
   (( segid "ENHF" and resid 8    and name HN  ))
   (( segid "ENHF" and resid 9    and name HB2 ))
 ASSI {  485}
   (( segid "ENHF" and resid 38   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB2 ))
      5.200     2.700     0.800 peak   485 spectrum    3 weight  0.11000E+01 volume  0.45528E-04 ppm1      8.744 ppm2      2.931 CV     1
 ASSI {  486}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 16   and name HA  ))
      6.000     5.100     0.000 peak   486 spectrum    3 weight  0.10000E+01 volume  0.20758E-04 ppm1      8.000 ppm2      3.573 CV     1
 ASSI {  488}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 14   and name HG2 ))
      6.000     5.100     0.000 peak   488 spectrum    3 weight  0.11000E+01 volume  0.26497E-04 ppm1      7.988 ppm2      2.348 CV     1
 ASSI {  490}
   (( segid "ENHF" and resid 15   and name HN  ))
   (  segid "ENHF" and resid 16   and name HG2%)
      6.000     4.600     0.000 peak   490 spectrum    3 weight  0.10000E+01 volume  0.20583E-04 ppm1      7.993 ppm2      1.043 CV     1
 ASSI {  491}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 23   and name HN  ))
      5.900     3.500     0.100 peak   491 spectrum    3 weight  0.10000E+01 volume  0.32620E-04 ppm1      7.757 ppm2      8.341 CV     1
 ASSI {  492}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 23   and name HB  ))
      6.000     3.700     0.000 peak   492 spectrum    3 weight  0.10000E+01 volume  0.30003E-04 ppm1      7.757 ppm2      4.707 CV     1
 ASSI {  493}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 31   and name HA  ))
      6.000     3.800     0.000 peak   493 spectrum    3 weight  0.10000E+01 volume  0.28852E-04 ppm1      7.365 ppm2      3.514 CV     1
 ASSI {  495}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
      5.100     2.600     0.900 peak   495 spectrum    3 weight  0.10000E+01 volume  0.79993E-04 ppm1      8.066 ppm2      4.224 CV     1
 ASSI {  496}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 41   and name HA  ))
      5.900     3.400     0.100 peak   496 spectrum    3 weight  0.11000E+01 volume  0.32462E-04 ppm1      8.065 ppm2      3.460 CV     1
 ASSI {  497}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 37   and name HD22))
      6.000     4.400     0.000 peak   497 spectrum    3 weight  0.11000E+01 volume  0.38620E-04 ppm1      8.422 ppm2      6.946 CV     1
 ASSI {  498}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
      6.000     4.800     0.000 peak   498 spectrum    3 weight  0.10000E+01 volume  0.22799E-04 ppm1      8.424 ppm2      4.226 CV     1
 ASSI {  499}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB2 ))
      5.600     3.200     0.400 peak   499 spectrum    3 weight  0.11000E+01 volume  0.27578E-04 ppm1      8.424 ppm2      2.912 CV     1
 ASSI {  500}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB1 ))
      6.000     6.000     0.000 peak   500 spectrum    3 weight  0.11000E+01 volume  0.21438E-04 ppm1      8.422 ppm2      3.168 CV     1
 ASSI {  502}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 39   and name HB2 ))
      2.400     0.600     0.600 peak   502 spectrum    3 weight  0.10000E+01 volume  0.66551E-02 ppm1      8.423 ppm2      1.989 CV     1
 ASSI {  503}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 41   and name HB  ))
      6.000     4.200     0.000 peak   503 spectrum    3 weight  0.10000E+01 volume  0.18752E-04 ppm1      8.423 ppm2      1.808 CV     1
 OR {  503}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 41   and name HG11))
 ASSI {  504}
   (( segid "ENHF" and resid 39   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      6.000     5.200     0.000 peak   504 spectrum    3 weight  0.10000E+01 volume  0.23810E-04 ppm1      8.421 ppm2      1.565 CV     1
 ASSI {  514}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 21   and name HB2 ))
      5.200     2.700     0.800 peak   514 spectrum    3 weight  0.11000E+01 volume  0.91442E-04 ppm1      7.936 ppm2      1.721 CV     1
 ASSI {  516}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 42   and name HA  ))
      2.900     0.800     0.800 peak   516 spectrum    3 weight  0.10000E+01 volume  0.20659E-02 ppm1      8.066 ppm2      4.012 CV     1
 ASSI {  517}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB2 ))
      2.900     0.800     0.800 peak   517 spectrum    3 weight  0.10000E+01 volume  0.29638E-02 ppm1      8.324 ppm2      2.916 CV     1
 ASSI {  518}
   (( segid "ENHF" and resid 37   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      3.000     0.900     0.900 peak   518 spectrum    3 weight  0.10000E+01 volume  0.19198E-02 ppm1      8.324 ppm2      1.549 CV     1
 ASSI {  519}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 10   and name HG1 ))
      6.000     3.900     0.000 peak   519 spectrum    3 weight  0.10000E+01 volume  0.24438E-04 ppm1      7.745 ppm2      2.378 CV     1
 OR {  519}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 ASSI {  521}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 13   and name HB2 ))
      4.100     1.700     1.700 peak   521 spectrum    3 weight  0.10000E+01 volume  0.62585E-03 ppm1      8.026 ppm2      1.846 CV     1
 ASSI {  522}
   (( segid "ENHF" and resid 4    and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      5.600     3.200     0.400 peak   522 spectrum    3 weight  0.10000E+01 volume  0.39335E-04 ppm1      7.510 ppm2      1.520 CV     1
 ASSI {  524}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 3    and name HB1 ))
      6.000     4.200     0.000 peak   524 spectrum    3 weight  0.10000E+01 volume  0.19101E-04 ppm1      7.497 ppm2      2.087 CV     1
 ASSI {  525}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 21   and name HG2 ))
      6.000     3.800     0.000 peak   525 spectrum    3 weight  0.11000E+01 volume  0.35149E-04 ppm1      8.443 ppm2      1.552 CV     1
 ASSI {  526}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HE21))
      6.000     4.400     0.000 peak   526 spectrum    3 weight  0.11000E+01 volume  0.22310E-04 ppm1      7.842 ppm2      7.541 CV     1
 ASSI {  529}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 49   and name HG1 ))
      6.000     3.600     0.000 peak   529 spectrum    3 weight  0.10000E+01 volume  0.24787E-04 ppm1      7.838 ppm2      2.229 CV     1
 OR {  529}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 49   and name HG2 ))
 ASSI {  530}
   (( segid "ENHF" and resid 21   and name HN  ))
   (( segid "ENHF" and resid 17   and name HN  ))
      5.200     2.700     0.800 peak   530 spectrum    3 weight  0.10000E+01 volume  0.38847E-04 ppm1      8.446 ppm2      7.723 CV     1
 ASSI {  531}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 11   and name HN  ))
      6.000     4.200     0.000 peak   531 spectrum    3 weight  0.11000E+01 volume  0.21909E-04 ppm1      8.289 ppm2      7.761 CV     1
 ASSI {  532}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 44   and name HZ  ))
      6.000     3.900     0.000 peak   532 spectrum    3 weight  0.10000E+01 volume  0.25275E-04 ppm1      8.287 ppm2      6.778 CV     1
 OR {  532}
   (( segid "ENHF" and resid 13   and name HN  ))
   (  segid "ENHF" and resid 44   and name HE% )
 ASSI {  533}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 9    and name HG1 ))
      5.900     3.500     0.100 peak   533 spectrum    3 weight  0.10000E+01 volume  0.21927E-04 ppm1      8.290 ppm2      2.273 CV     1
 OR {  533}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 9    and name HB1 ))
 OR {  533}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 9    and name HG2 ))
 ASSI {  535}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 12   and name HG  ))
      6.000     4.000     0.000 peak   535 spectrum    3 weight  0.11000E+01 volume  0.27107E-04 ppm1      8.289 ppm2      1.253 CV     1
 ASSI {  536}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 11   and name HA  ))
      6.000     4.100     0.000 peak   536 spectrum    3 weight  0.10000E+01 volume  0.21054E-04 ppm1      8.292 ppm2      4.111 CV     1
 ASSI {  537}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 16   and name HA  ))
      6.000     4.000     0.000 peak   537 spectrum    3 weight  0.11000E+01 volume  0.21979E-04 ppm1      7.564 ppm2      3.568 CV     1
 ASSI {  538}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 19   and name HB1 ))
      6.000     4.700     0.000 peak   538 spectrum    3 weight  0.11000E+01 volume  0.28084E-04 ppm1      7.557 ppm2      2.965 CV     1
 ASSI {  540}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
      6.000     3.700     0.000 peak   540 spectrum    3 weight  0.10000E+01 volume  0.26950E-04 ppm1      7.562 ppm2      1.502 CV     1
 OR {  540}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG2 ))
 ASSI {  542}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
      5.000     2.500     1.000 peak   542 spectrum    3 weight  0.10000E+01 volume  0.75182E-04 ppm1      8.082 ppm2      1.422 CV     1
 ASSI {  543}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 43   and name HB2 ))
      2.100     0.500     0.500 peak   543 spectrum    3 weight  0.10000E+01 volume  0.11162E-01 ppm1      8.100 ppm2      2.246 CV     1
 OR {  543}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 43   and name HB1 ))
 ASSI {  549}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 8    and name HA  ))
      5.300     2.800     0.700 peak   549 spectrum    3 weight  0.10000E+01 volume  0.62867E-04 ppm1      8.114 ppm2      3.506 CV     1
 ASSI {  550}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 47   and name HN  ))
      6.000     3.900     0.000 peak   550 spectrum    3 weight  0.11000E+01 volume  0.23601E-04 ppm1      8.491 ppm2      7.817 CV     1
 ASSI {  551}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB2 ))
      6.000     4.600     0.000 peak   551 spectrum    3 weight  0.10000E+01 volume  0.27595E-04 ppm1      8.449 ppm2      3.928 CV     1
 ASSI {  552}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 32   and name HN  ))
      6.000     6.000     0.000 peak   552 spectrum    3 weight  0.11000E+01 volume  0.26462E-04 ppm1      7.398 ppm2      7.955 CV     1
 ASSI {  553}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB2 ))
      6.000     4.300     0.000 peak   553 spectrum    3 weight  0.10000E+01 volume  0.23479E-04 ppm1      7.407 ppm2      2.008 CV     1
 OR {  553}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB1 ))
 ASSI {  554}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 33   and name HG2 ))
      6.000     4.300     0.000 peak   554 spectrum    3 weight  0.10000E+01 volume  0.24735E-04 ppm1      7.406 ppm2      1.606 CV     1
 ASSI {  555}
   (( segid "ENHF" and resid 34   and name HN  ))
   (  segid "ENHF" and resid 34   and name HD1%)
      6.000     4.200     0.000 peak   555 spectrum    3 weight  0.11000E+01 volume  0.36718E-04 ppm1      7.403 ppm2      0.387 CV     1
 ASSI {  556}
   (( segid "ENHF" and resid 5    and name HN  ))
   (  segid "ENHF" and resid 36   and name HD2%)
      5.800     5.800     0.200 peak   556 spectrum    3 weight  0.10000E+01 volume  0.26602E-04 ppm1      8.319 ppm2      0.648 CV     1
 ASSI {  557}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HD1 ))
      6.000     4.500     0.000 peak   557 spectrum    3 weight  0.11000E+01 volume  0.27281E-04 ppm1      8.317 ppm2      7.278 CV     1
 ASSI {  558}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HE3 ))
      6.000     4.000     0.000 peak   558 spectrum    3 weight  0.10000E+01 volume  0.28747E-04 ppm1      8.320 ppm2      7.452 CV     1
 OR {  558}
   (( segid "ENHF" and resid 5    and name HN  ))
   (( segid "ENHF" and resid 4    and name HN  ))
 ASSI {  559}
   (( segid "ENHF" and resid 23   and name HN  ))
   (  segid "ENHF" and resid 22   and name HG2%)
      6.000     4.000     0.000 peak   559 spectrum    3 weight  0.10000E+01 volume  0.31642E-04 ppm1      8.316 ppm2      0.824 CV     1
 ASSI {  561}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB1 ))
      5.200     2.700     0.800 peak   561 spectrum    3 weight  0.11000E+01 volume  0.39196E-04 ppm1      8.000 ppm2      2.140 CV     1
 ASSI {  562}
   (( segid "ENHF" and resid 7    and name HD21))
   (( segid "ENHF" and resid 7    and name HA  ))
      5.400     2.900     0.600 peak   562 spectrum    3 weight  0.11000E+01 volume  0.56586E-04 ppm1      7.680 ppm2      4.503 CV     1
 ASSI {  563}
   (( segid "ENHF" and resid 20   and name HE21))
   (( segid "ENHF" and resid 20   and name HE22))
      1.700     0.300     0.500 peak   563 spectrum    3 weight  0.11000E+01 volume  0.31641E-01 ppm1      7.560 ppm2      6.849 CV     1
 ASSI {  565}
   (( segid "ENHF" and resid 20   and name HE21))
   (( segid "ENHF" and resid 20   and name HG2 ))
      5.300     2.800     0.700 peak   565 spectrum    3 weight  0.10000E+01 volume  0.52453E-04 ppm1      7.560 ppm2      2.352 CV     1
 OR {  565}
   (( segid "ENHF" and resid 20   and name HE21))
   (( segid "ENHF" and resid 20   and name HG1 ))
 ASSI {  566}
   (( segid "ENHF" and resid 37   and name HD22))
   (( segid "ENHF" and resid 41   and name HA  ))
      6.000     5.000     0.000 peak   566 spectrum    3 weight  0.10000E+01 volume  0.26967E-04 ppm1      6.965 ppm2      3.437 CV     1
 ASSI {  567}
   (( segid "ENHF" and resid 43   and name HE21))
   (( segid "ENHF" and resid 43   and name HG1 ))
      4.400     1.900     1.600 peak   567 spectrum    3 weight  0.10000E+01 volume  0.13334E-03 ppm1      7.696 ppm2      2.554 CV     1
 ASSI {  568}
   (( segid "ENHF" and resid 43   and name HE21))
   (( segid "ENHF" and resid 43   and name HG2 ))
      5.000     2.500     1.000 peak   568 spectrum    3 weight  0.10000E+01 volume  0.80256E-04 ppm1      7.697 ppm2      2.366 CV     1
 ASSI {  569}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 33   and name HA  ))
      5.900     3.500     0.100 peak   569 spectrum    3 weight  0.10000E+01 volume  0.31660E-04 ppm1      7.688 ppm2      3.947 CV     1
 ASSI {  571}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      5.500     3.000     0.500 peak   571 spectrum    3 weight  0.11000E+01 volume  0.37416E-04 ppm1      7.688 ppm2      1.374 CV     1
 ASSI {  573}
   (( segid "ENHF" and resid 44   and name HN  ))
   (  segid "ENHF" and resid 44   and name HD% )
      6.000     5.100     0.000 peak   573 spectrum    3 weight  0.10000E+01 volume  0.17443E-04 ppm1      8.368 ppm2      6.492 CV     1
 ASSI {    1}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (  segid "ENHF" and resid 44   and name HE% )
      5.000     3.200     1.000 peak     1 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1     10.686 ppm2      6.790 CV     1
 OR {    1}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 44   and name HZ  ))
 ASSI {    2}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 12   and name HD2%)
      5.000     3.200     1.000 peak     2 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    3}
   (( segid "ENHF" and resid 5    and name HA ))
   (( segid "ENHF" and resid 8    and name HB1 ))
      5.000     3.200     1.000 peak     3 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    4}
   (( segid "ENHF" and resid 6    and name HA ))
   (( segid "ENHF" and resid 10   and name HN ))
      5.000     3.200     1.000 peak     4 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    5}
   (( segid "ENHF" and resid 7    and name HA ))
   (( segid "ENHF" and resid 11   and name HN ))
      5.000     3.200     1.000 peak     5 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    6}
   (( segid "ENHF" and resid 8    and name HA ))
   (( segid "ENHF" and resid 12   and name HN ))
      5.000     3.200     1.000 peak     6 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    7}
   (( segid "ENHF" and resid 12   and name HN ))
   (( segid "ENHF" and resid 14   and name HN ))
      5.000     3.200     1.000 peak     7 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    8}
   (( segid "ENHF" and resid 16   and name HN ))
   (( segid "ENHF" and resid 18   and name HN ))
      5.000     3.200     1.000 peak     8 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {    9}
   (( segid "ENHF" and resid 24   and name HN ))
   (( segid "ENHF" and resid 26   and name HN ))
      5.000     3.200     1.000 peak     9 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   10}
   (( segid "ENHF" and resid 15   and name HA ))
   (( segid "ENHF" and resid 17   and name HN ))
      5.000     3.200     1.000 peak    10 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   11}
   (( segid "ENHF" and resid 16   and name HA ))
   (( segid "ENHF" and resid 18   and name HN ))
      5.000     3.200     1.000 peak    11 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   12}
   (( segid "ENHF" and resid 16   and name HN ))
   (( segid "ENHF" and resid 18   and name HN ))
      5.000     3.200     1.000 peak    12 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   13}
   (( segid "ENHF" and resid 29   and name HN ))
   (( segid "ENHF" and resid 31   and name HN ))
      5.000     3.200     1.000 peak    13 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   14}
   (( segid "ENHF" and resid 38   and name HA ))
   (( segid "ENHF" and resid 42   and name HN ))
      5.000     3.200     1.000 peak    14 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   15}
   (( segid "ENHF" and resid 41   and name HN ))
   (( segid "ENHF" and resid 43   and name HN ))
      5.000     3.200     1.000 peak    15 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   16}
   (( segid "ENHF" and resid 41   and name HA ))
   (( segid "ENHF" and resid 45   and name HN ))
      5.000     3.200     1.000 peak    16 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   17}
   (( segid "ENHF" and resid 46   and name HN ))
   (( segid "ENHF" and resid 48   and name HN ))
      5.000     3.200     1.000 peak    17 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   18}
   (( segid "ENHF" and resid 13   and name HA ))
   (( segid "ENHF" and resid 17   and name HN ))
      5.000     3.200     1.000 peak    18 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1
 ASSI {   19}
   ( segid "ENHF" and resid 27   and name HD1% )
   (( segid "ENHF" and resid 45   and name HZ ))
      5.000     3.200     1.000 peak    19 spectrum    4 weight  0.11000E+01 volume  0.50000E-03 ppm1      6.452 ppm2     -0.041 CV     1



# ambig_NOEs.tbl

 ASSI {   11}
   (( segid "ENHF" and resid 45   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HA  ))
      4.000     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.25616E-03 ppm1      3.231 ppm2      4.040 CV     1
 OR {   11}
   (( segid "ENHF" and resid 45   and name HB2 ))
   (( segid "ENHF" and resid 46   and name HA  ))
 ASSI {   45}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HD2 ))
      2.800     2.800     3.200 peak    45 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      2.933 ppm2      1.644 CV     1
 OR {   45}
   (( segid "ENHF" and resid 52   and name HE2 ))
   (( segid "ENHF" and resid 52   and name HD1 ))
 OR {   45}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 17   and name HD2 ))
 OR {   45}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 17   and name HD1 ))
 OR {   45}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HD1 ))
 OR {   45}
   (( segid "ENHF" and resid 17   and name HE2 ))
   (( segid "ENHF" and resid 17   and name HD2 ))
 OR {   45}
   (( segid "ENHF" and resid 52   and name HE2 ))
   (( segid "ENHF" and resid 52   and name HD2 ))
 ASSI {   55}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
      3.100     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      2.935 ppm2      1.348 CV     1
 OR {   55}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
 OR {   55}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 OR {   55}
   (( segid "ENHF" and resid 52   and name HE2 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 OR {   55}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
 ASSI {   56}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HB1 ))
      5.000     2.500     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.89729E-04 ppm1      2.925 ppm2      2.154 CV     1
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HB1 ))
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 OR {   56}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 10   and name HB1 ))
 OR {   56}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {   56}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {   56}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 16   and name HB  ))
 OR {   56}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 10   and name HB1 ))
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 16   and name HB  ))
 OR {   56}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 16   and name HB  ))
 ASSI {   57}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 18   and name HD2 ))
      2.800     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.25675E-02 ppm1      2.921 ppm2      3.066 CV     1
 OR {   57}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 18   and name HD2 ))
 OR {   57}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 18   and name HD1 ))
 OR {   57}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 18   and name HD1 ))
 OR {   57}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 15   and name HB2 ))
 ASSI {   60}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      2.600     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.42994E-02 ppm1      2.915 ppm2      1.917 CV     1
 OR {   60}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 13   and name HB1 ))
 OR {   60}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 OR {   60}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 OR {   60}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {   60}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {   60}
   (( segid "ENHF" and resid 17   and name HE2 ))
   (( segid "ENHF" and resid 17   and name HB2 ))
 ASSI {   61}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 13   and name HD2 ))
      2.400     0.600     0.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.56118E-02 ppm1      2.912 ppm2      1.691 CV     1
 OR {   61}
   (( segid "ENHF" and resid 17   and name HE2 ))
   (( segid "ENHF" and resid 17   and name HD1 ))
 OR {   61}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 17   and name HD2 ))
 OR {   61}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 17   and name HD1 ))
 OR {   61}
   (( segid "ENHF" and resid 17   and name HE2 ))
   (( segid "ENHF" and resid 17   and name HD2 ))
 OR {   61}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 OR {   61}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 13   and name HD2 ))
 ASSI {   62}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
      4.100     1.700     1.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.30711E-03 ppm1      2.908 ppm2      4.012 CV     1
 OR {   62}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 10   and name HA  ))
 OR {   62}
   (( segid "ENHF" and resid 17   and name HE2 ))
   (( segid "ENHF" and resid 17   and name HA  ))
 OR {   62}
   (( segid "ENHF" and resid 17   and name HE1 ))
   (( segid "ENHF" and resid 17   and name HA  ))
 OR {   62}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {   67}
   (( segid "ENHF" and resid 48   and name HB1 ))
   (( segid "ENHF" and resid 48   and name HA  ))
      2.700     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.45331E-02 ppm1      2.892 ppm2      4.242 CV     1
 OR {   67}
   (( segid "ENHF" and resid 48   and name HB1 ))
   (( segid "ENHF" and resid 45   and name HA  ))
 ASSI {   69}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
      5.600     5.600     0.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.43102E-04 ppm1      2.893 ppm2      1.343 CV     1
 OR {   69}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 13   and name HG2 ))
 OR {   69}
   (( segid "ENHF" and resid 52   and name HE2 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
 OR {   69}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 OR {   69}
   (( segid "ENHF" and resid 52   and name HE2 ))
   (( segid "ENHF" and resid 52   and name HG1 ))
 OR {   69}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HG2 ))
 ASSI {   82}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 9    and name HB1 ))
      5.400     2.900     0.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.66884E-04 ppm1      2.743 ppm2      2.229 CV     1
 OR {   82}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 9    and name HB2 ))
 OR {   82}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 32   and name HG2 ))
 ASSI {   84}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 27   and name HA  ))
      3.200     1.000     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      2.739 ppm2      4.008 CV     1
 OR {   84}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 30   and name HA  ))
 ASSI {   90}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 43   and name HA  ))
      2.600     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.40179E-02 ppm1      2.570 ppm2      4.049 CV     1
 OR {   90}
   (( segid "ENHF" and resid 29   and name HG1 ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {   92}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 43   and name HG2 ))
      1.600     0.200     0.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.50246E-01 ppm1      2.567 ppm2      2.401 CV     1
 OR {   92}
   (( segid "ENHF" and resid 29   and name HG1 ))
   (( segid "ENHF" and resid 29   and name HG2 ))
 ASSI {   93}
   (( segid "ENHF" and resid 43   and name HG1 ))
   (( segid "ENHF" and resid 43   and name HB2 ))
      2.200     0.500     0.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.91635E-02 ppm1      2.568 ppm2      2.199 CV     1
 OR {   93}
   (( segid "ENHF" and resid 29   and name HG1 ))
   (( segid "ENHF" and resid 29   and name HB1 ))
 ASSI {  102}
   (( segid "ENHF" and resid 30   and name HB2 ))
   (( segid "ENHF" and resid 30   and name HA  ))
      2.700     0.700     0.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.31151E-02 ppm1      2.437 ppm2      4.012 CV     1
 OR {  102}
   (( segid "ENHF" and resid 30   and name HB2 ))
   (( segid "ENHF" and resid 27   and name HA  ))
 ASSI {  104}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 43   and name HA  ))
      2.700     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.39585E-02 ppm1      2.403 ppm2      4.058 CV     1
 OR {  104}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {  105}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 45   and name HA  ))
      2.800     2.800     3.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.28639E-02 ppm1      2.385 ppm2      4.180 CV     1
 OR {  105}
   (( segid "ENHF" and resid 10   and name HG1 ))
   (( segid "ENHF" and resid 6    and name HA  ))
 OR {  105}
   (( segid "ENHF" and resid 10   and name HG2 ))
   (( segid "ENHF" and resid 6    and name HA  ))
 ASSI {  106}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 50   and name HA  ))
      2.700     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.35210E-02 ppm1      2.366 ppm2      4.193 CV     1
 OR {  106}
   (( segid "ENHF" and resid 20   and name HG1 ))
   (( segid "ENHF" and resid 20   and name HA  ))
 OR {  106}
   (( segid "ENHF" and resid 20   and name HG2 ))
   (( segid "ENHF" and resid 20   and name HA  ))
 OR {  106}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 50   and name HA  ))
 ASSI {  107}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 29   and name HB2 ))
      2.100     0.400     0.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16822E-01 ppm1      2.376 ppm2      2.102 CV     1
 OR {  107}
   (( segid "ENHF" and resid 20   and name HG1 ))
   (( segid "ENHF" and resid 20   and name HB1 ))
 OR {  107}
   (( segid "ENHF" and resid 20   and name HG2 ))
   (( segid "ENHF" and resid 20   and name HB1 ))
 OR {  107}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 50   and name HB1 ))
 ASSI {  108}
   (( segid "ENHF" and resid 10   and name HG1 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
      2.500     0.600     0.600 peak   108 spectrum    1 weight  0.10000E+01 volume  0.59051E-02 ppm1      2.366 ppm2      1.912 CV     1
 OR {  108}
   (( segid "ENHF" and resid 10   and name HG1 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {  108}
   (( segid "ENHF" and resid 10   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 OR {  108}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 47   and name HB2 ))
 OR {  108}
   (( segid "ENHF" and resid 10   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 ASSI {  110}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 14   and name HB1 ))
      1.700     0.300     0.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.41675E-01 ppm1      2.376 ppm2      2.100 CV     1
 OR {  110}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {  110}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HB2 ))
 OR {  110}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 ASSI {  111}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      3.700     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.59899E-03 ppm1      2.376 ppm2      1.758 CV     1
 OR {  111}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
 OR {  111}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 OR {  111}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
 ASSI {  112}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 14   and name HA  ))
      2.600     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.38704E-02 ppm1      2.365 ppm2      4.049 CV     1
 OR {  112}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 OR {  112}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HA  ))
 ASSI {  113}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      3.000     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.27936E-02 ppm1      2.365 ppm2      1.631 CV     1
 OR {  113}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 OR {  113}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 OR {  113}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  118}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 33   and name HB1 ))
      4.500     2.000     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.21941E-03 ppm1      2.357 ppm2      1.783 CV     1
 OR {  118}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HB1 ))
 OR {  118}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HB2 ))
 OR {  118}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
 OR {  118}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 41   and name HG11))
 OR {  118}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 33   and name HB2 ))
 OR {  118}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
 OR {  118}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
 OR {  118}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
 ASSI {  119}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (  segid "ENHF" and resid 40   and name HB% )
      5.600     3.100     0.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.46499E-04 ppm1      2.359 ppm2      1.572 CV     1
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
 OR {  119}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 OR {  119}
   (( segid "ENHF" and resid 20   and name HG2 ))
   (( segid "ENHF" and resid 21   and name HG1 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 52   and name HD1 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 52   and name HD2 ))
 OR {  119}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 52   and name HD1 ))
 OR {  119}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 33   and name HG2 ))
 OR {  119}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 33   and name HG2 ))
 ASSI {  121}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 50   and name HB2 ))
      2.000     0.400     0.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.21173E-01 ppm1      2.345 ppm2      2.006 CV     1
 OR {  121}
   (( segid "ENHF" and resid 20   and name HG2 ))
   (( segid "ENHF" and resid 20   and name HB2 ))
 OR {  121}
   (( segid "ENHF" and resid 20   and name HG1 ))
   (( segid "ENHF" and resid 20   and name HB2 ))
 OR {  121}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 50   and name HB2 ))
 OR {  121}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 32   and name HB2 ))
 ASSI {  122}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (  segid "ENHF" and resid 41   and name HD1%)
      4.300     1.900     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.21011E-03 ppm1      2.340 ppm2      0.513 CV     1
 OR {  122}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  126}
   (( segid "ENHF" and resid 26   and name HG2 ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      4.000     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.41784E-03 ppm1      2.329 ppm2      2.080 CV     1
 OR {  126}
   (( segid "ENHF" and resid 26   and name HG1 ))
   (( segid "ENHF" and resid 25   and name HB1 ))
 OR {  126}
   (( segid "ENHF" and resid 26   and name HG1 ))
   (( segid "ENHF" and resid 29   and name HB2 ))
 OR {  126}
   (( segid "ENHF" and resid 26   and name HG2 ))
   (( segid "ENHF" and resid 29   and name HB2 ))
 OR {  126}
   (( segid "ENHF" and resid 9    and name HG2 ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 OR {  126}
   (( segid "ENHF" and resid 9    and name HG1 ))
   (( segid "ENHF" and resid 8    and name HB  ))
 OR {  126}
   (( segid "ENHF" and resid 9    and name HG2 ))
   (( segid "ENHF" and resid 8    and name HB  ))
 OR {  126}
   (( segid "ENHF" and resid 9    and name HG2 ))
   (( segid "ENHF" and resid 10   and name HB1 ))
 ASSI {  132}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      2.900     0.800     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.29531E-02 ppm1      2.301 ppm2      1.723 CV     1
 OR {  132}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
 OR {  132}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
 OR {  132}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 OR {  132}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 13   and name HG1 ))
 ASSI {  134}
   (( segid "ENHF" and resid 38   and name HG2 ))
   (  segid "ENHF" and resid 31   and name HB% )
      3.600     1.300     1.300 peak   134 spectrum    1 weight  0.10000E+01 volume  0.84806E-03 ppm1      2.353 ppm2      1.279 CV     1
 OR {  134}
   (( segid "ENHF" and resid 38   and name HG1 ))
   (  segid "ENHF" and resid 31   and name HB% )
 OR {  134}
   (( segid "ENHF" and resid 38   and name HG1 ))
   (( segid "ENHF" and resid 36   and name HB2 ))
 OR {  134}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 12   and name HG  ))
 OR {  134}
   (( segid "ENHF" and resid 38   and name HG2 ))
   (( segid "ENHF" and resid 36   and name HB2 ))
 OR {  134}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 12   and name HG  ))
 OR {  134}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 36   and name HB2 ))
 ASSI {  136}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      3.400     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.14800E-02 ppm1      2.348 ppm2      1.806 CV     1
 OR {  136}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 13   and name HB2 ))
 ASSI {  141}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (  segid "ENHF" and resid 40   and name HB% )
      4.800     2.300     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13800E-03 ppm1      2.233 ppm2      1.572 CV     1
 OR {  141}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  141}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (( segid "ENHF" and resid 27   and name HG  ))
 OR {  141}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  145}
   (( segid "ENHF" and resid 43   and name HB2 ))
   (( segid "ENHF" and resid 43   and name HA  ))
      2.400     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.52032E-02 ppm1      2.187 ppm2      4.033 CV     1
 OR {  145}
   (( segid "ENHF" and resid 29   and name HB1 ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {  146}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (  segid "ENHF" and resid 41   and name HD1%)
      4.400     2.000     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.22912E-03 ppm1      2.212 ppm2      0.513 CV     1
 OR {  146}
   (( segid "ENHF" and resid 32   and name HG2 ))
   (  segid "ENHF" and resid 41   and name HD1%)
 OR {  146}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (  segid "ENHF" and resid 41   and name HD1%)
 OR {  146}
   (( segid "ENHF" and resid 32   and name HG2 ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  147}
   (( segid "ENHF" and resid 32   and name HG2 ))
   (( segid "ENHF" and resid 32   and name HA  ))
      3.000     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.18050E-02 ppm1      2.204 ppm2      4.034 CV     1
 OR {  147}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 25   and name HA  ))
 ASSI {  148}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 43   and name HG1 ))
      5.100     2.600     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.69855E-04 ppm1      2.219 ppm2      2.558 CV     1
 OR {  148}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 43   and name HG1 ))
 OR {  148}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 1    and name HG2 ))
 OR {  148}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 1    and name HG1 ))
 OR {  148}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 1    and name HG2 ))
 OR {  148}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 1    and name HG1 ))
 OR {  148}
   (( segid "ENHF" and resid 32   and name HG2 ))
   (( segid "ENHF" and resid 29   and name HG1 ))
 ASSI {  151}
   (( segid "ENHF" and resid 20   and name HB2 ))
   (( segid "ENHF" and resid 20   and name HA  ))
      2.400     0.600     0.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.83698E-02 ppm1      1.976 ppm2      4.194 CV     1
 OR {  151}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 50   and name HA  ))
 ASSI {  155}
   (( segid "ENHF" and resid 8    and name HB  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      2.100     0.400     0.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10160E-01 ppm1      2.104 ppm2      0.642 CV     1
 OR {  155}
   (( segid "ENHF" and resid 8    and name HB  ))
   (  segid "ENHF" and resid 36   and name HD2%)
 ASSI {  157}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 39   and name HG2 ))
      1.800     0.300     0.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.29811E-01 ppm1      2.094 ppm2      2.361 CV     1
 OR {  157}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 25   and name HG1 ))
 OR {  157}
   (( segid "ENHF" and resid 29   and name HB2 ))
   (( segid "ENHF" and resid 29   and name HG2 ))
 OR {  157}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 39   and name HG1 ))
 ASSI {  158}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 41   and name HG12))
      3.800     1.500     1.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.74071E-03 ppm1      2.089 ppm2      1.685 CV     1
 OR {  158}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 27   and name HB2 ))
 ASSI {  159}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 39   and name HA  ))
      2.700     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.43136E-02 ppm1      2.084 ppm2      4.107 CV     1
 OR {  159}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 25   and name HA  ))
 ASSI {  161}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 3    and name HB2 ))
      3.600     1.300     1.300 peak   161 spectrum    1 weight  0.10000E+01 volume  0.91628E-03 ppm1      2.077 ppm2      1.789 CV     1
 OR {  161}
   (( segid "ENHF" and resid 29   and name HB2 ))
   (( segid "ENHF" and resid 33   and name HB1 ))
 OR {  161}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 41   and name HB  ))
 OR {  161}
   (( segid "ENHF" and resid 29   and name HB2 ))
   (( segid "ENHF" and resid 33   and name HB2 ))
 OR {  161}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 41   and name HG11))
 ASSI {  171}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      3.000     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.27263E-02 ppm1      2.077 ppm2      1.630 CV     1
 OR {  171}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
 OR {  171}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 OR {  171}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
 OR {  171}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  172}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
      3.600     1.300     1.300 peak   172 spectrum    1 weight  0.10000E+01 volume  0.84411E-03 ppm1      2.076 ppm2      1.453 CV     1
 OR {  172}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 OR {  172}
   (( segid "ENHF" and resid 10   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 OR {  172}
   (( segid "ENHF" and resid 10   and name HB1 ))
   (( segid "ENHF" and resid 12   and name HB1 ))
 OR {  172}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
 OR {  172}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 12   and name HB1 ))
 OR {  172}
   (( segid "ENHF" and resid 3    and name HB1 ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 OR {  172}
   (( segid "ENHF" and resid 10   and name HB2 ))
   (( segid "ENHF" and resid 12   and name HB1 ))
 OR {  172}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
 OR {  172}
   (( segid "ENHF" and resid 10   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 ASSI {  173}
   (( segid "ENHF" and resid 6    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HA  ))
      2.000     0.400     0.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.16468E-01 ppm1      2.069 ppm2      4.190 CV     1
 OR {  173}
   (( segid "ENHF" and resid 3    and name HB1 ))
   (( segid "ENHF" and resid 3    and name HA  ))
 OR {  173}
   (( segid "ENHF" and resid 50   and name HB1 ))
   (( segid "ENHF" and resid 50   and name HA  ))
 OR {  173}
   (( segid "ENHF" and resid 20   and name HB1 ))
   (( segid "ENHF" and resid 20   and name HA  ))
 ASSI {  174}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 25   and name HG1 ))
      1.700     0.300     0.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.53527E-01 ppm1      2.065 ppm2      2.360 CV     1
 OR {  174}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {  174}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {  174}
   (( segid "ENHF" and resid 6    and name HB1 ))
   (( segid "ENHF" and resid 6    and name HG2 ))
 OR {  174}
   (( segid "ENHF" and resid 6    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HG1 ))
 OR {  174}
   (( segid "ENHF" and resid 20   and name HB1 ))
   (( segid "ENHF" and resid 20   and name HG1 ))
 OR {  174}
   (( segid "ENHF" and resid 50   and name HB1 ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 OR {  174}
   (( segid "ENHF" and resid 20   and name HB1 ))
   (( segid "ENHF" and resid 20   and name HG2 ))
 OR {  174}
   (( segid "ENHF" and resid 50   and name HB1 ))
   (( segid "ENHF" and resid 50   and name HG1 ))
 OR {  174}
   (( segid "ENHF" and resid 6    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HG2 ))
 OR {  174}
   (( segid "ENHF" and resid 6    and name HB1 ))
   (( segid "ENHF" and resid 6    and name HG1 ))
 ASSI {  176}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
      3.700     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.65521E-03 ppm1      2.001 ppm2      1.597 CV     1
 OR {  176}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 OR {  176}
   (( segid "ENHF" and resid 39   and name HB2 ))
   (  segid "ENHF" and resid 40   and name HB% )
 ASSI {  177}
   (( segid "ENHF" and resid 32   and name HB1 ))
   (( segid "ENHF" and resid 32   and name HG1 ))
      1.800     0.300     0.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.34407E-01 ppm1      1.999 ppm2      2.338 CV     1
 OR {  177}
   (( segid "ENHF" and resid 39   and name HB2 ))
   (( segid "ENHF" and resid 39   and name HG2 ))
 OR {  177}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 OR {  177}
   (( segid "ENHF" and resid 32   and name HB2 ))
   (( segid "ENHF" and resid 32   and name HG1 ))
 ASSI {  179}
   (( segid "ENHF" and resid 32   and name HB1 ))
   (  segid "ENHF" and resid 41   and name HD1%)
      6.000     4.900     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.15897E-04 ppm1      2.012 ppm2      0.509 CV     1
 OR {  179}
   (( segid "ENHF" and resid 32   and name HB2 ))
   (  segid "ENHF" and resid 41   and name HD1%)
 OR {  179}
   (( segid "ENHF" and resid 32   and name HB2 ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  184}
   (( segid "ENHF" and resid 49   and name HB1 ))
   (( segid "ENHF" and resid 49   and name HA  ))
      2.400     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.62584E-02 ppm1      2.001 ppm2      4.112 CV     1
 OR {  184}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 39   and name HA  ))
 ASSI {  185}
   (( segid "ENHF" and resid 42   and name HB2 ))
   (( segid "ENHF" and resid 42   and name HA  ))
      2.400     0.600     0.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.62705E-02 ppm1      1.991 ppm2      4.019 CV     1
 OR {  185}
   (( segid "ENHF" and resid 47   and name HB1 ))
   (( segid "ENHF" and resid 47   and name HA  ))
 OR {  185}
   (( segid "ENHF" and resid 42   and name HB1 ))
   (( segid "ENHF" and resid 42   and name HA  ))
 ASSI {  193}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      2.100     0.400     0.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13686E-01 ppm1      1.930 ppm2      1.619 CV     1
 OR {  193}
   (( segid "ENHF" and resid 17   and name HB2 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  193}
   (( segid "ENHF" and resid 17   and name HB1 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  193}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
 ASSI {  205}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 50   and name HG1 ))
      2.000     0.400     0.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.20730E-01 ppm1      1.982 ppm2      2.355 CV     1
 OR {  205}
   (( segid "ENHF" and resid 20   and name HB2 ))
   (( segid "ENHF" and resid 20   and name HG2 ))
 OR {  205}
   (( segid "ENHF" and resid 20   and name HB2 ))
   (( segid "ENHF" and resid 20   and name HG1 ))
 OR {  205}
   (( segid "ENHF" and resid 50   and name HB2 ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 ASSI {  252}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
      3.100     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.24769E-02 ppm1      1.719 ppm2      1.573 CV     1
 OR {  252}
   (( segid "ENHF" and resid 13   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  266}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 27   and name HD1%)
      2.500     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.51295E-02 ppm1      1.642 ppm2      0.840 CV     1
 OR {  266}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 22   and name HG2%)
 OR {  266}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 27   and name HD2%)
 ASSI {  279}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HA  ))
      2.900     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.28527E-02 ppm1      1.617 ppm2      4.120 CV     1
 OR {  279}
   (( segid "ENHF" and resid 42   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HA  ))
 ASSI {  281}
   (( segid "ENHF" and resid 33   and name HG2 ))
   (( segid "ENHF" and resid 33   and name HA  ))
      3.100     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      1.599 ppm2      4.017 CV     1
 OR {  281}
   (( segid "ENHF" and resid 27   and name HG  ))
   (( segid "ENHF" and resid 27   and name HA  ))
 OR {  281}
   (( segid "ENHF" and resid 42   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HA  ))
 OR {  281}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  282}
   (( segid "ENHF" and resid 42   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG1 ))
      1.700     0.300     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.34074E-01 ppm1      1.607 ppm2      1.809 CV     1
 OR {  282}
   (( segid "ENHF" and resid 51   and name HG2 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
 OR {  282}
   (( segid "ENHF" and resid 33   and name HG2 ))
   (( segid "ENHF" and resid 33   and name HB1 ))
 ASSI {  287}
   (( segid "ENHF" and resid 2    and name HD1 ))
   (( segid "ENHF" and resid 2    and name HA  ))
      4.200     1.800     1.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.37218E-03 ppm1      1.550 ppm2      4.093 CV     1
 OR {  287}
   (( segid "ENHF" and resid 11   and name HD2 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  287}
   (( segid "ENHF" and resid 11   and name HD1 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  287}
   (( segid "ENHF" and resid 2    and name HD2 ))
   (( segid "ENHF" and resid 2    and name HA  ))
 ASSI {  303}
   (( segid "ENHF" and resid 22   and name HG11))
   (  segid "ENHF" and resid 22   and name HD1%)
      2.600     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.29443E-02 ppm1      1.517 ppm2      0.696 CV     1
 OR {  303}
   (( segid "ENHF" and resid 36   and name HG  ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  312}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HB2 ))
      3.000     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      1.482 ppm2      1.935 CV     1
 OR {  312}
   (( segid "ENHF" and resid 17   and name HG2 ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 OR {  312}
   (( segid "ENHF" and resid 11   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 ASSI {  348}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (  segid "ENHF" and resid 36   and name HD2%)
      3.600     1.300     1.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1      1.252 ppm2      0.619 CV     1
 OR {  348}
   (( segid "ENHF" and resid 36   and name HB2 ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  353}
   (( segid "ENHF" and resid 22   and name HG12))
   (( segid "ENHF" and resid 22   and name HB  ))
      3.600     1.300     1.300 peak   353 spectrum    1 weight  0.10000E+01 volume  0.69310E-03 ppm1      1.224 ppm2      1.883 CV     1
 OR {  353}
   (( segid "ENHF" and resid 22   and name HG12))
   (( segid "ENHF" and resid 26   and name HB2 ))
 ASSI {  365}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 45   and name HE% )
      4.700     2.200     1.300 peak   365 spectrum    1 weight  0.10000E+01 volume  0.12717E-03 ppm1      1.054 ppm2      7.202 CV     1
 OR {  365}
   (  segid "ENHF" and resid 16   and name HG2%)
   (  segid "ENHF" and resid 48   and name HE% )
 ASSI {  375}
   (  segid "ENHF" and resid 8    and name HG2%)
   (  segid "ENHF" and resid 8    and name HG1%)
      2.100     0.400     0.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11518E-01 ppm1      0.956 ppm2      0.640 CV     1
 OR {  375}
   (  segid "ENHF" and resid 8    and name HG2%)
   (  segid "ENHF" and resid 36   and name HD2%)
 ASSI {  376}
   (  segid "ENHF" and resid 8    and name HG2%)
   (  segid "ENHF" and resid 34   and name HD2%)
      3.200     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      0.956 ppm2      0.527 CV     1
 OR {  376}
   (  segid "ENHF" and resid 8    and name HG2%)
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  377}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 45   and name HE% )
      4.400     1.900     1.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.16611E-03 ppm1      0.924 ppm2      7.196 CV     1
 OR {  377}
   (  segid "ENHF" and resid 16   and name HG1%)
   (  segid "ENHF" and resid 48   and name HE% )
 OR {  377}
   (  segid "ENHF" and resid 16   and name HG1%)
   (( segid "ENHF" and resid 48   and name HZ  ))
 ASSI {  399}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 36   and name HG  ))
      3.500     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.68111E-03 ppm1      0.646 ppm2      1.470 CV     1
 OR {  399}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 34   and name HB1 ))
 ASSI {  400}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 34   and name HB2 ))
      3.500     1.200     1.200 peak   400 spectrum    1 weight  0.10000E+01 volume  0.60768E-03 ppm1      0.643 ppm2      1.399 CV     1
 OR {  400}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 12   and name HB1 ))
 ASSI {  401}
   (  segid "ENHF" and resid 8    and name HG1%)
   (( segid "ENHF" and resid 36   and name HB2 ))
      4.200     1.800     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.74503E-03 ppm1      0.643 ppm2      1.265 CV     1
 OR {  401}
   (  segid "ENHF" and resid 8    and name HG1%)
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  410}
   (  segid "ENHF" and resid 36   and name HD2%)
   (( segid "ENHF" and resid 36   and name HB2 ))
      3.400     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.16428E-02 ppm1      0.613 ppm2      1.260 CV     1
 OR {  410}
   (  segid "ENHF" and resid 36   and name HD2%)
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  420}
   (  segid "ENHF" and resid 36   and name HD1%)
   (  segid "ENHF" and resid 31   and name HB% )
      2.500     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.41792E-02 ppm1      0.516 ppm2      1.265 CV     1
 OR {  420}
   (  segid "ENHF" and resid 36   and name HD1%)
   (( segid "ENHF" and resid 36   and name HB2 ))
 ASSI {  432}
   (  segid "ENHF" and resid 12   and name HD1%)
   (( segid "ENHF" and resid 31   and name HA  ))
      4.400     2.000     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17119E-03 ppm1      0.248 ppm2      3.521 CV     1
 OR {  432}
   (  segid "ENHF" and resid 12   and name HD1%)
   (( segid "ENHF" and resid 8    and name HA  ))
 ASSI {  444}
   (( segid "ENHF" and resid 34   and name HB2 ))
   (  segid "ENHF" and resid 34   and name HD2%)
      3.200     1.000     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.22731E-02 ppm1      1.373 ppm2      0.532 CV     1
 OR {  444}
   (( segid "ENHF" and resid 34   and name HB2 ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  456}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 3    and name HB1 ))
      5.100     2.600     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.82559E-04 ppm1      1.563 ppm2      2.080 CV     1
 OR {  456}
   (  segid "ENHF" and resid 40   and name HB% )
   (( segid "ENHF" and resid 39   and name HB1 ))
 ASSI {  462}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 28   and name HD2 ))
      6.000     4.800     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.15044E-04 ppm1      1.285 ppm2      7.183 CV     1
 OR {  462}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 45   and name HE% )
 ASSI {  466}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 28   and name HB2 ))
      5.900     3.500     0.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.40293E-04 ppm1      1.274 ppm2      3.413 CV     1
 OR {  466}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 4    and name HB1 ))
 ASSI {  467}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 32   and name HG1 ))
      4.600     2.100     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.16068E-03 ppm1      1.278 ppm2      2.345 CV     1
 OR {  467}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 38   and name HG2 ))
 OR {  467}
   (  segid "ENHF" and resid 31   and name HB% )
   (( segid "ENHF" and resid 38   and name HG1 ))
 ASSI {  469}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 41   and name HG2%)
      3.300     1.100     1.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      1.280 ppm2      0.615 CV     1
 OR {  469}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 36   and name HD2%)
 OR {  469}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  470}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 41   and name HD1%)
      2.400     0.600     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.55344E-02 ppm1      1.276 ppm2      0.519 CV     1
 OR {  470}
   (  segid "ENHF" and resid 31   and name HB% )
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  476}
   (  segid "ENHF" and resid 41   and name HG2%)
   (( segid "ENHF" and resid 28   and name HA  ))
      3.500     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.70581E-03 ppm1      0.625 ppm2      4.055 CV     1
 OR {  476}
   (  segid "ENHF" and resid 41   and name HG2%)
   (( segid "ENHF" and resid 42   and name HA  ))
 ASSI {  481}
   (  segid "ENHF" and resid 41   and name HG2%)
   (( segid "ENHF" and resid 27   and name HG  ))
      4.800     2.300     1.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.13703E-03 ppm1      0.617 ppm2      1.588 CV     1
 OR {  481}
   (  segid "ENHF" and resid 41   and name HG2%)
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  481}
   (  segid "ENHF" and resid 41   and name HG2%)
   (( segid "ENHF" and resid 42   and name HG2 ))
 ASSI {  487}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 22   and name HA  ))
      3.200     1.000     1.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.16043E-02 ppm1      0.845 ppm2      4.389 CV     1
 OR {  487}
   (  segid "ENHF" and resid 22   and name HG2%)
   (( segid "ENHF" and resid 21   and name HA  ))
 ASSI {  500}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 16   and name HA  ))
      3.900     1.500     1.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.24582E-03 ppm1      0.690 ppm2      3.576 CV     1
 OR {  500}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 31   and name HA  ))
 ASSI {  501}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 19   and name HB1 ))
      5.000     2.500     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.56052E-04 ppm1      0.693 ppm2      2.961 CV     1
 OR {  501}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 11   and name HE1 ))
 ASSI {  502}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 19   and name HB2 ))
      4.300     1.800     1.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.15892E-03 ppm1      0.690 ppm2      2.520 CV     1
 OR {  502}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 29   and name HG1 ))
 ASSI {  504}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 22   and name HB  ))
      2.900     0.800     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.22908E-02 ppm1      0.691 ppm2      1.885 CV     1
 OR {  504}
   (  segid "ENHF" and resid 22   and name HD1%)
   (( segid "ENHF" and resid 26   and name HB2 ))
 ASSI {  514}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 24   and name HG1 ))
      5.300     2.800     0.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.33737E-04 ppm1      0.518 ppm2      2.200 CV     1
 OR {  514}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 32   and name HG2 ))
 OR {  514}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 24   and name HG2 ))
 ASSI {  515}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 38   and name HB1 ))
      3.700     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.29722E-03 ppm1      0.507 ppm2      2.017 CV     1
 OR {  515}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 38   and name HB2 ))
 OR {  515}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 32   and name HB1 ))
 OR {  515}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 32   and name HB2 ))
 ASSI {  516}
   (  segid "ENHF" and resid 41   and name HD1%)
   (  segid "ENHF" and resid 40   and name HB% )
      4.300     1.900     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.11546E-03 ppm1      0.509 ppm2      1.592 CV     1
 OR {  516}
   (  segid "ENHF" and resid 41   and name HD1%)
   (( segid "ENHF" and resid 27   and name HG  ))
 ASSI {  523}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
      2.900     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.20079E-02 ppm1      3.113 ppm2      1.826 CV     1
 OR {  523}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HB1 ))
 OR {  523}
   (( segid "ENHF" and resid 33   and name HD1 ))
   (( segid "ENHF" and resid 33   and name HB2 ))
 OR {  523}
   (( segid "ENHF" and resid 33   and name HD2 ))
   (( segid "ENHF" and resid 33   and name HB2 ))
 ASSI {  524}
   (( segid "ENHF" and resid 33   and name HD2 ))
   (( segid "ENHF" and resid 33   and name HG1 ))
      2.800     0.800     0.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.26232E-02 ppm1      3.112 ppm2      1.743 CV     1
 OR {  524}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HB2 ))
 OR {  524}
   (( segid "ENHF" and resid 33   and name HD1 ))
   (( segid "ENHF" and resid 33   and name HG1 ))
 OR {  524}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HB2 ))
 ASSI {  525}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
      5.300     2.800     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.35730E-04 ppm1      3.104 ppm2      2.240 CV     1
 OR {  525}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 46   and name HB1 ))
 OR {  525}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 49   and name HG2 ))
 OR {  525}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 46   and name HB1 ))
 OR {  525}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 49   and name HG2 ))
 ASSI {  527}
   (( segid "ENHF" and resid 42   and name HD2 ))
   (( segid "ENHF" and resid 39   and name HA  ))
      5.200     2.700     0.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.55839E-04 ppm1      3.252 ppm2      4.125 CV     1
 OR {  527}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 39   and name HA  ))
 OR {  527}
   (( segid "ENHF" and resid 42   and name HD1 ))
   (( segid "ENHF" and resid 46   and name HA  ))
 ASSI {  534}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (( segid "ENHF" and resid 8    and name HA  ))
      5.800     3.400     0.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.64979E-04 ppm1      1.486 ppm2      3.524 CV     1
 OR {  534}
   (( segid "ENHF" and resid 34   and name HB1 ))
   (( segid "ENHF" and resid 31   and name HA  ))
 ASSI {  535}
   (( segid "ENHF" and resid 34   and name HB2 ))
   (( segid "ENHF" and resid 31   and name HA  ))
      4.900     2.400     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.87481E-04 ppm1      1.386 ppm2      3.524 CV     1
 OR {  535}
   (( segid "ENHF" and resid 34   and name HB2 ))
   (( segid "ENHF" and resid 8    and name HA  ))
 ASSI {  537}
   (( segid "ENHF" and resid 13   and name HE1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
      4.600     2.100     1.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17089E-03 ppm1      2.928 ppm2      4.070 CV     1
 OR {  537}
   (( segid "ENHF" and resid 11   and name HE2 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  537}
   (( segid "ENHF" and resid 11   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  537}
   (( segid "ENHF" and resid 13   and name HE2 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 OR {  537}
   (( segid "ENHF" and resid 52   and name HE1 ))
   (( segid "ENHF" and resid 52   and name HA  ))
 ASSI {  540}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 31   and name HB% )
      5.800     3.400     0.200 peak   540 spectrum    1 weight  0.10000E+01 volume  0.40707E-04 ppm1      1.640 ppm2      1.292 CV     1
 OR {  540}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (  segid "ENHF" and resid 23   and name HG2%)
 OR {  540}
   (( segid "ENHF" and resid 27   and name HB2 ))
   (( segid "ENHF" and resid 12   and name HG  ))
 ASSI {  548}
   (( segid "ENHF" and resid 48   and name HB2 ))
   (( segid "ENHF" and resid 48   and name HA  ))
      2.700     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.24234E-02 ppm1      2.584 ppm2      4.244 CV     1
 OR {  548}
   (( segid "ENHF" and resid 48   and name HB2 ))
   (( segid "ENHF" and resid 45   and name HA  ))
 ASSI {  556}
   (( segid "ENHF" and resid 44   and name HB2 ))
   (  segid "ENHF" and resid 41   and name HG2%)
      6.000     5.800     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.86504E-05 ppm1      2.844 ppm2      0.612 CV     1
 OR {  556}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  559}
   (( segid "ENHF" and resid 44   and name HB2 ))
   (  segid "ENHF" and resid 48   and name HD% )
      6.000     3.900     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.32746E-04 ppm1      2.843 ppm2      7.063 CV     1
 OR {  559}
   (( segid "ENHF" and resid 44   and name HB2 ))
   (( segid "ENHF" and resid 45   and name HZ  ))
 ASSI {  562}
   (( segid "ENHF" and resid 44   and name HB2 ))
   (( segid "ENHF" and resid 41   and name HA  ))
      4.000     1.600     1.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.28609E-03 ppm1      2.839 ppm2      3.477 CV     1
 OR {  562}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 8    and name HA  ))
 ASSI {  565}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      5.500     3.000     0.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.72877E-04 ppm1      2.819 ppm2      2.132 CV     1
 OR {  565}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 8    and name HB  ))
 OR {  565}
   (( segid "ENHF" and resid 7    and name HB1 ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 ASSI {  566}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      5.400     2.900     0.600 peak   566 spectrum    1 weight  0.10000E+01 volume  0.98805E-04 ppm1      2.750 ppm2      2.129 CV     1
 OR {  566}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 8    and name HB  ))
 OR {  566}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 29   and name HB1 ))
 OR {  566}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 29   and name HB2 ))
 ASSI {  568}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HG2 ))
      3.500     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.60512E-03 ppm1      2.738 ppm2      2.313 CV     1
 OR {  568}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 26   and name HB1 ))
 OR {  568}
   (( segid "ENHF" and resid 30   and name HB1 ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 OR {  568}
   (( segid "ENHF" and resid 7    and name HB2 ))
   (( segid "ENHF" and resid 6    and name HG1 ))
 ASSI {  572}
   (( segid "ENHF" and resid 25   and name HG2 ))
   (( segid "ENHF" and resid 28   and name HB1 ))
      5.900     3.500     0.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.42675E-04 ppm1      2.296 ppm2      3.410 CV     1
 OR {  572}
   (( segid "ENHF" and resid 25   and name HG2 ))
   (( segid "ENHF" and resid 28   and name HB2 ))
 OR {  572}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 4    and name HB1 ))
 ASSI {  576}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      5.800     3.400     0.200 peak   576 spectrum    1 weight  0.10000E+01 volume  0.52391E-04 ppm1      2.302 ppm2      1.599 CV     1
 OR {  576}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 OR {  576}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  576}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  576}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  579}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (( segid "ENHF" and resid 39   and name HA  ))
      2.500     0.600     0.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.64044E-02 ppm1      2.359 ppm2      4.092 CV     1
 OR {  579}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HA  ))
 OR {  579}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  579}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 39   and name HA  ))
 OR {  579}
   (( segid "ENHF" and resid 10   and name HG2 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 ASSI {  580}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (( segid "ENHF" and resid 39   and name HB1 ))
      1.600     0.300     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.61081E-01 ppm1      2.361 ppm2      2.070 CV     1
 OR {  580}
   (( segid "ENHF" and resid 38   and name HG2 ))
   (( segid "ENHF" and resid 38   and name HB1 ))
 OR {  580}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 14   and name HB1 ))
 OR {  580}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {  580}
   (( segid "ENHF" and resid 6    and name HG2 ))
   (( segid "ENHF" and resid 6    and name HB1 ))
 OR {  580}
   (( segid "ENHF" and resid 6    and name HG1 ))
   (( segid "ENHF" and resid 6    and name HB2 ))
 OR {  580}
   (( segid "ENHF" and resid 38   and name HG1 ))
   (( segid "ENHF" and resid 38   and name HB2 ))
 OR {  580}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (( segid "ENHF" and resid 39   and name HB1 ))
 OR {  580}
   (( segid "ENHF" and resid 6    and name HG2 ))
   (( segid "ENHF" and resid 6    and name HB2 ))
 OR {  580}
   (( segid "ENHF" and resid 6    and name HG1 ))
   (( segid "ENHF" and resid 6    and name HB1 ))
 OR {  580}
   (( segid "ENHF" and resid 38   and name HG2 ))
   (( segid "ENHF" and resid 38   and name HB2 ))
 ASSI {  581}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      3.800     1.400     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.67275E-03 ppm1      2.358 ppm2      1.602 CV     1
 OR {  581}
   (( segid "ENHF" and resid 46   and name HG2 ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 OR {  581}
   (( segid "ENHF" and resid 14   and name HG2 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 OR {  581}
   (( segid "ENHF" and resid 39   and name HG1 ))
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  581}
   (( segid "ENHF" and resid 39   and name HG2 ))
   (  segid "ENHF" and resid 40   and name HB% )
 OR {  581}
   (( segid "ENHF" and resid 14   and name HG1 ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  583}
   (( segid "ENHF" and resid 38   and name HG2 ))
   (  segid "ENHF" and resid 41   and name HG2%)
      6.000     3.800     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.31342E-04 ppm1      2.371 ppm2      0.620 CV     1
 OR {  583}
   (( segid "ENHF" and resid 38   and name HG1 ))
   (  segid "ENHF" and resid 41   and name HG2%)
 OR {  583}
   (( segid "ENHF" and resid 10   and name HG1 ))
   (  segid "ENHF" and resid 8    and name HG1%)
 OR {  583}
   (( segid "ENHF" and resid 10   and name HG2 ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  587}
   (( segid "ENHF" and resid 32   and name HG1 ))
   (( segid "ENHF" and resid 32   and name HA  ))
      2.800     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.26515E-02 ppm1      2.365 ppm2      4.034 CV     1
 OR {  587}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 43   and name HA  ))
 OR {  587}
   (( segid "ENHF" and resid 29   and name HG2 ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {  592}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 2    and name HB1 ))
      5.200     2.700     0.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.47615E-04 ppm1      2.231 ppm2      1.448 CV     1
 OR {  592}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 2    and name HB1 ))
 OR {  592}
   (( segid "ENHF" and resid 3    and name HG1 ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 OR {  592}
   (( segid "ENHF" and resid 3    and name HG2 ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  595}
   (( segid "ENHF" and resid 24   and name HG1 ))
   (  segid "ENHF" and resid 45   and name HE% )
      5.600     3.200     0.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.41459E-04 ppm1      2.216 ppm2      7.181 CV     1
 OR {  595}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (( segid "ENHF" and resid 28   and name HD2 ))
 OR {  595}
   (( segid "ENHF" and resid 24   and name HG2 ))
   (  segid "ENHF" and resid 45   and name HE% )
 ASSI {  608}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 49   and name HG2 ))
      2.400     0.600     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.86310E-02 ppm1      2.398 ppm2      2.222 CV     1
 OR {  608}
   (( segid "ENHF" and resid 43   and name HG2 ))
   (( segid "ENHF" and resid 43   and name HB2 ))
 OR {  608}
   (( segid "ENHF" and resid 50   and name HG1 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
 OR {  608}
   (( segid "ENHF" and resid 50   and name HG2 ))
   (( segid "ENHF" and resid 49   and name HG1 ))
 ASSI {  609}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      2.400     0.600     0.600 peak   609 spectrum    1 weight  0.10000E+01 volume  0.68531E-02 ppm1      1.905 ppm2      1.574 CV     1
 OR {  609}
   (( segid "ENHF" and resid 17   and name HB2 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  609}
   (( segid "ENHF" and resid 17   and name HB1 ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  609}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG1 ))
 OR {  609}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HD2 ))
 OR {  609}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HD2 ))
 ASSI {  610}
   (( segid "ENHF" and resid 17   and name HB2 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
      2.500     0.600     0.600 peak   610 spectrum    1 weight  0.10000E+01 volume  0.41787E-02 ppm1      1.904 ppm2      1.443 CV     1
 OR {  610}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 OR {  610}
   (( segid "ENHF" and resid 17   and name HB1 ))
   (( segid "ENHF" and resid 17   and name HG2 ))
 OR {  610}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 ASSI {  613}
   (( segid "ENHF" and resid 17   and name HB2 ))
   (  segid "ENHF" and resid 16   and name HG1%)
      6.000     3.700     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.30465E-04 ppm1      1.900 ppm2      0.932 CV     1
 OR {  613}
   (( segid "ENHF" and resid 17   and name HB1 ))
   (  segid "ENHF" and resid 16   and name HG1%)
 OR {  613}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (  segid "ENHF" and resid 8    and name HG2%)
 ASSI {  615}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (  segid "ENHF" and resid 34   and name HD2%)
      5.500     3.000     0.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.57669E-04 ppm1      1.933 ppm2      0.549 CV     1
 OR {  615}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (  segid "ENHF" and resid 34   and name HD2%)
 OR {  615}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  616}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
      6.000     3.600     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.34715E-04 ppm1      1.934 ppm2      2.396 CV     1
 OR {  616}
   (( segid "ENHF" and resid 11   and name HB2 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 OR {  616}
   (( segid "ENHF" and resid 13   and name HB1 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
 OR {  616}
   (( segid "ENHF" and resid 11   and name HB1 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 ASSI {  618}
   (( segid "ENHF" and resid 16   and name HB  ))
   (( segid "ENHF" and resid 17   and name HA  ))
      6.000     4.000     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.25763E-04 ppm1      2.134 ppm2      3.986 CV     1
 OR {  618}
   (( segid "ENHF" and resid 16   and name HB  ))
   (( segid "ENHF" and resid 14   and name HA  ))
 OR {  618}
   (( segid "ENHF" and resid 16   and name HB  ))
   (( segid "ENHF" and resid 12   and name HA  ))
 ASSI {  631}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (  segid "ENHF" and resid 22   and name HG2%)
      6.000     4.400     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.34853E-04 ppm1      2.312 ppm2      0.837 CV     1
 OR {  631}
   (( segid "ENHF" and resid 26   and name HB1 ))
   (  segid "ENHF" and resid 27   and name HD1%)
 ASSI {  636}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 10   and name HA  ))
      4.000     1.600     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.37763E-03 ppm1      1.721 ppm2      4.007 CV     1
 OR {  636}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 10   and name HA  ))
 OR {  636}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 OR {  636}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  638}
   (( segid "ENHF" and resid 33   and name HB1 ))
   (( segid "ENHF" and resid 33   and name HA  ))
      2.400     0.600     0.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.53813E-02 ppm1      1.830 ppm2      3.987 CV     1
 OR {  638}
   (( segid "ENHF" and resid 33   and name HB2 ))
   (( segid "ENHF" and resid 33   and name HA  ))
 OR {  638}
   (( segid "ENHF" and resid 33   and name HB1 ))
   (( segid "ENHF" and resid 30   and name HA  ))
 ASSI {  640}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
      4.000     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.39290E-03 ppm1      1.715 ppm2      2.299 CV     1
 OR {  640}
   (( segid "ENHF" and resid 13   and name HD2 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {  640}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {  640}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {  640}
   (( segid "ENHF" and resid 41   and name HG12))
   (( segid "ENHF" and resid 43   and name HB1 ))
 OR {  640}
   (( segid "ENHF" and resid 13   and name HD1 ))
   (( segid "ENHF" and resid 9    and name HG2 ))
 ASSI {  643}
   (( segid "ENHF" and resid 46   and name HB2 ))
   (( segid "ENHF" and resid 46   and name HA  ))
      2.400     0.600     0.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.64700E-02 ppm1      2.103 ppm2      4.080 CV     1
 OR {  643}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 11   and name HA  ))
 OR {  643}
   (( segid "ENHF" and resid 39   and name HB1 ))
   (( segid "ENHF" and resid 39   and name HA  ))
 OR {  643}
   (( segid "ENHF" and resid 25   and name HB1 ))
   (( segid "ENHF" and resid 25   and name HA  ))
 ASSI {  644}
   (( segid "ENHF" and resid 29   and name HB2 ))
   (( segid "ENHF" and resid 29   and name HA  ))
      2.500     0.600     0.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.47665E-02 ppm1      2.097 ppm2      4.027 CV     1
 OR {  644}
   (( segid "ENHF" and resid 29   and name HB2 ))
   (( segid "ENHF" and resid 26   and name HA  ))
 ASSI {  646}
   (( segid "ENHF" and resid 10   and name HB1 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
      1.900     0.400     0.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.23590E-01 ppm1      2.115 ppm2      2.359 CV     1
 OR {  646}
   (( segid "ENHF" and resid 14   and name HB1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {  646}
   (( segid "ENHF" and resid 14   and name HB2 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {  646}
   (( segid "ENHF" and resid 46   and name HB2 ))
   (( segid "ENHF" and resid 46   and name HG2 ))
 OR {  646}
   (( segid "ENHF" and resid 20   and name HB1 ))
   (( segid "ENHF" and resid 20   and name HG1 ))
 OR {  646}
   (( segid "ENHF" and resid 10   and name HB2 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 OR {  646}
   (( segid "ENHF" and resid 50   and name HB1 ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 OR {  646}
   (( segid "ENHF" and resid 20   and name HB1 ))
   (( segid "ENHF" and resid 20   and name HG2 ))
 OR {  646}
   (( segid "ENHF" and resid 50   and name HB1 ))
   (( segid "ENHF" and resid 50   and name HG1 ))
 OR {  646}
   (( segid "ENHF" and resid 10   and name HB2 ))
   (( segid "ENHF" and resid 10   and name HG1 ))
 OR {  646}
   (( segid "ENHF" and resid 10   and name HB1 ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 ASSI {  654}
   (( segid "ENHF" and resid 29   and name HB1 ))
   (( segid "ENHF" and resid 29   and name HG2 ))
      2.500     0.600     0.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.61979E-02 ppm1      2.213 ppm2      2.395 CV     1
 OR {  654}
   (( segid "ENHF" and resid 43   and name HB2 ))
   (( segid "ENHF" and resid 43   and name HG2 ))
 ASSI {  659}
   (( segid "ENHF" and resid 42   and name HG2 ))
   (( segid "ENHF" and resid 46   and name HG2 ))
      4.900     2.400     1.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.12742E-03 ppm1      1.605 ppm2      2.336 CV     1
 OR {  659}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HG2 ))
 OR {  659}
   (( segid "ENHF" and resid 18   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 ASSI {  663}
   (( segid "ENHF" and resid 34   and name HG  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.400     1.900     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.40324E-03 ppm1      1.263 ppm2      0.639 CV     1
 OR {  663}
   (( segid "ENHF" and resid 12   and name HG  ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {  670}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 17   and name HA  ))
      4.000     1.600     1.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.36349E-03 ppm1      1.568 ppm2      4.015 CV     1
 OR {  670}
   (( segid "ENHF" and resid 17   and name HG1 ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  698}
   (  segid "ENHF" and resid 27   and name HD2%)
   (  segid "ENHF" and resid 31   and name HB% )
      5.700     3.300     0.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.34050E-04 ppm1      0.862 ppm2      1.275 CV     1
 OR {  698}
   (  segid "ENHF" and resid 27   and name HD2%)
   (( segid "ENHF" and resid 12   and name HG  ))
 ASSI {  716}
   (  segid "ENHF" and resid 16   and name HG2%)
   (( segid "ENHF" and resid 12   and name HA  ))
      5.500     3.000     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.52692E-04 ppm1      1.052 ppm2      4.000 CV     1
 OR {  716}
   (  segid "ENHF" and resid 16   and name HG2%)
   (( segid "ENHF" and resid 17   and name HA  ))
 ASSI {  720}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 8    and name HA  ))
      5.900     3.500     0.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.18391E-04 ppm1      0.550 ppm2      3.535 CV     1
 OR {  720}
   (  segid "ENHF" and resid 34   and name HD2%)
   (( segid "ENHF" and resid 31   and name HA  ))
 ASSI {  738}
   (( segid "ENHF" and resid 8    and name HA  ))
   (  segid "ENHF" and resid 34   and name HD2%)
      6.000     3.900     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.57682E-04 ppm1      3.523 ppm2      0.534 CV     1
 OR {  738}
   (( segid "ENHF" and resid 8    and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  743}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      6.000     5.200     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.22980E-04 ppm1      3.513 ppm2      1.370 CV     1
 OR {  743}
   (( segid "ENHF" and resid 8    and name HA  ))
   (( segid "ENHF" and resid 12   and name HB1 ))
 ASSI {  753}
   (( segid "ENHF" and resid 16   and name HA  ))
   (( segid "ENHF" and resid 17   and name HA  ))
      5.900     3.500     0.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.35367E-04 ppm1      3.573 ppm2      4.004 CV     1
 OR {  753}
   (( segid "ENHF" and resid 16   and name HA  ))
   (( segid "ENHF" and resid 12   and name HA  ))
 ASSI {  760}
   (( segid "ENHF" and resid 41   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
      5.900     3.400     0.100 peak   760 spectrum    1 weight  0.10000E+01 volume  0.42688E-04 ppm1      3.468 ppm2      1.274 CV     1
 OR {  760}
   (( segid "ENHF" and resid 41   and name HA  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
 ASSI {  764}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 8    and name HB  ))
      5.000     2.500     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11367E-03 ppm1      3.638 ppm2      2.135 CV     1
 OR {  764}
   (( segid "ENHF" and resid 9    and name HA  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
 ASSI {  772}
   (( segid "ENHF" and resid 31   and name HA  ))
   (( segid "ENHF" and resid 34   and name HB2 ))
      3.600     1.300     1.300 peak   772 spectrum    1 weight  0.10000E+01 volume  0.64092E-03 ppm1      3.522 ppm2      1.405 CV     1
 OR {  772}
   (( segid "ENHF" and resid 31   and name HA  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  777}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      5.200     2.700     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11753E-03 ppm1      3.524 ppm2      0.619 CV     1
 OR {  777}
   (( segid "ENHF" and resid 31   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD2%)
 ASSI {  782}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 35   and name HA1 ))
      2.700     2.700     3.300 peak   782 spectrum    1 weight  0.10000E+01 volume  0.28852E-02 ppm1      3.931 ppm2      4.040 CV     1
 OR {  782}
   (( segid "ENHF" and resid 5    and name HB2 ))
   (( segid "ENHF" and resid 34   and name HA  ))
 ASSI {  785}
   (( segid "ENHF" and resid 5    and name HB1 ))
   (( segid "ENHF" and resid 35   and name HA1 ))
      3.200     3.200     2.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.19174E-02 ppm1      4.161 ppm2      4.048 CV     1
 OR {  785}
   (( segid "ENHF" and resid 5    and name HB1 ))
   (( segid "ENHF" and resid 34   and name HA  ))
 ASSI {  793}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      3.600     1.300     1.300 peak   793 spectrum    1 weight  0.10000E+01 volume  0.71890E-03 ppm1      4.116 ppm2      1.618 CV     1
 OR {  793}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 11   and name HG1 ))
 OR {  793}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  794}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
      3.300     1.100     1.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.96836E-03 ppm1      4.113 ppm2      1.522 CV     1
 OR {  794}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 18   and name HG2 ))
 OR {  794}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 OR {  794}
   (( segid "ENHF" and resid 15   and name HA  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 ASSI {  856}
   (( segid "ENHF" and resid 24   and name HA  ))
   (  segid "ENHF" and resid 27   and name HD2%)
      3.700     1.400     1.400 peak   856 spectrum    1 weight  0.10000E+01 volume  0.71238E-03 ppm1      3.837 ppm2      0.860 CV     1
 OR {  856}
   (( segid "ENHF" and resid 24   and name HA  ))
   (  segid "ENHF" and resid 22   and name HG2%)
 ASSI {  860}
   (( segid "ENHF" and resid 28   and name HA  ))
   (( segid "ENHF" and resid 41   and name HG11))
      3.900     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.65772E-03 ppm1      4.122 ppm2      1.790 CV     1
 OR {  860}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 41   and name HB  ))
 OR {  860}
   (( segid "ENHF" and resid 28   and name HA  ))
   (( segid "ENHF" and resid 41   and name HB  ))
 OR {  860}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 42   and name HG1 ))
 ASSI {  861}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 45   and name HB1 ))
      3.500     1.200     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.81086E-03 ppm1      4.117 ppm2      3.251 CV     1
 OR {  861}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 45   and name HB2 ))
 OR {  861}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 42   and name HD2 ))
 ASSI {  865}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 39   and name HB2 ))
      2.000     0.400     0.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.15029E-01 ppm1      4.078 ppm2      1.943 CV     1
 OR {  865}
   (( segid "ENHF" and resid 11   and name HA  ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 OR {  865}
   (( segid "ENHF" and resid 11   and name HA  ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 ASSI {  866}
   (( segid "ENHF" and resid 43   and name HA  ))
   (( segid "ENHF" and resid 43   and name HG1 ))
      2.400     0.600     0.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.54122E-02 ppm1      4.076 ppm2      2.546 CV     1
 OR {  866}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 46   and name HG1 ))
 ASSI {  867}
   (( segid "ENHF" and resid 43   and name HA  ))
   (( segid "ENHF" and resid 43   and name HB2 ))
      1.900     0.400     0.400 peak   867 spectrum    1 weight  0.10000E+01 volume  0.25794E-01 ppm1      4.074 ppm2      2.212 CV     1
 OR {  867}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 46   and name HB1 ))
 OR {  867}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 32   and name HG2 ))
 ASSI {  868}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HG2 ))
      2.300     0.500     0.500 peak   868 spectrum    1 weight  0.10000E+01 volume  0.89604E-02 ppm1      4.068 ppm2      2.350 CV     1
 OR {  868}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 32   and name HG1 ))
 OR {  868}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 39   and name HG1 ))
 OR {  868}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {  868}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 46   and name HG2 ))
 OR {  868}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 39   and name HG2 ))
 ASSI {  869}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HB1 ))
      2.000     0.400     0.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.18484E-01 ppm1      4.072 ppm2      2.116 CV     1
 OR {  869}
   (( segid "ENHF" and resid 46   and name HA  ))
   (( segid "ENHF" and resid 46   and name HB2 ))
 OR {  869}
   (( segid "ENHF" and resid 39   and name HA  ))
   (( segid "ENHF" and resid 39   and name HB1 ))
 OR {  869}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 ASSI {  870}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HG2 ))
      2.000     0.400     0.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.21491E-01 ppm1      4.032 ppm2      2.337 CV     1
 OR {  870}
   (( segid "ENHF" and resid 26   and name HA  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
 OR {  870}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 32   and name HG1 ))
 OR {  870}
   (( segid "ENHF" and resid 26   and name HA  ))
   (( segid "ENHF" and resid 26   and name HG2 ))
 OR {  870}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HG1 ))
 OR {  870}
   (( segid "ENHF" and resid 29   and name HA  ))
   (( segid "ENHF" and resid 29   and name HG2 ))
 OR {  870}
   (( segid "ENHF" and resid 26   and name HA  ))
   (( segid "ENHF" and resid 26   and name HG1 ))
 ASSI {  871}
   (( segid "ENHF" and resid 10   and name HA  ))
   (( segid "ENHF" and resid 10   and name HB2 ))
      1.900     0.400     0.400 peak   871 spectrum    1 weight  0.10000E+01 volume  0.25540E-01 ppm1      4.024 ppm2      2.115 CV     1
 OR {  871}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 14   and name HB1 ))
 OR {  871}
   (( segid "ENHF" and resid 29   and name HA  ))
   (( segid "ENHF" and resid 29   and name HB2 ))
 OR {  871}
   (( segid "ENHF" and resid 10   and name HA  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
 ASSI {  872}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 17   and name HD1 ))
      2.200     0.500     0.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.97681E-02 ppm1      4.016 ppm2      1.695 CV     1
 OR {  872}
   (( segid "ENHF" and resid 33   and name HA  ))
   (( segid "ENHF" and resid 33   and name HG1 ))
 OR {  872}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 17   and name HD2 ))
 ASSI {  874}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
      3.000     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.18388E-02 ppm1      4.031 ppm2      1.272 CV     1
 OR {  874}
   (( segid "ENHF" and resid 32   and name HA  ))
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  876}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 32   and name HB2 ))
      1.900     0.400     0.400 peak   876 spectrum    1 weight  0.10000E+01 volume  0.27244E-01 ppm1      4.030 ppm2      2.009 CV     1
 OR {  876}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 32   and name HB1 ))
 OR {  876}
   (( segid "ENHF" and resid 43   and name HA  ))
   (( segid "ENHF" and resid 47   and name HB1 ))
 ASSI {  877}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 16   and name HA  ))
      4.300     1.800     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.24816E-03 ppm1      4.017 ppm2      3.558 CV     1
 OR {  877}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 31   and name HA  ))
 OR {  877}
   (( segid "ENHF" and resid 29   and name HA  ))
   (( segid "ENHF" and resid 31   and name HA  ))
 ASSI {  878}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 17   and name HB1 ))
      1.900     0.300     0.300 peak   878 spectrum    1 weight  0.10000E+01 volume  0.30447E-01 ppm1      4.014 ppm2      1.906 CV     1
 OR {  878}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 17   and name HB2 ))
 OR {  878}
   (( segid "ENHF" and resid 26   and name HA  ))
   (( segid "ENHF" and resid 26   and name HB2 ))
 ASSI {  879}
   (( segid "ENHF" and resid 17   and name HA  ))
   (( segid "ENHF" and resid 17   and name HG2 ))
      2.900     0.900     0.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.32422E-02 ppm1      4.007 ppm2      1.434 CV     1
 OR {  879}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 17   and name HG2 ))
 OR {  879}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 36   and name HG  ))
 OR {  879}
   (( segid "ENHF" and resid 32   and name HA  ))
   (( segid "ENHF" and resid 36   and name HB1 ))
 ASSI {  880}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      2.400     0.600     0.600 peak   880 spectrum    1 weight  0.10000E+01 volume  0.61209E-02 ppm1      3.995 ppm2      1.571 CV     1
 OR {  880}
   (( segid "ENHF" and resid 33   and name HA  ))
   (( segid "ENHF" and resid 33   and name HG2 ))
 OR {  880}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 OR {  880}
   (( segid "ENHF" and resid 14   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
 ASSI {  884}
   (( segid "ENHF" and resid 32   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      3.200     1.000     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.18737E-02 ppm1      4.029 ppm2      0.516 CV     1
 OR {  884}
   (( segid "ENHF" and resid 33   and name HA  ))
   (  segid "ENHF" and resid 34   and name HD2%)
 OR {  884}
   (( segid "ENHF" and resid 32   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
 OR {  884}
   (( segid "ENHF" and resid 29   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
 ASSI {  893}
   (( segid "ENHF" and resid 12   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      4.800     2.300     1.200 peak   893 spectrum    1 weight  0.10000E+01 volume  0.18286E-03 ppm1      4.005 ppm2      0.560 CV     1
 OR {  893}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 41   and name HD1%)
 OR {  893}
   (( segid "ENHF" and resid 27   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  897}
   (( segid "ENHF" and resid 47   and name HA  ))
   (( segid "ENHF" and resid 47   and name HB2 ))
      2.400     0.600     0.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.74088E-02 ppm1      4.051 ppm2      1.879 CV     1
 OR {  897}
   (( segid "ENHF" and resid 27   and name HA  ))
   (( segid "ENHF" and resid 27   and name HB1 ))
 ASSI {  907}
   (( segid "ENHF" and resid 5    and name HA  ))
   (( segid "ENHF" and resid 35   and name HA1 ))
      4.200     1.700     1.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.31391E-03 ppm1      4.405 ppm2      4.047 CV     1
 OR {  907}
   (( segid "ENHF" and resid 5    and name HA  ))
   (( segid "ENHF" and resid 34   and name HA  ))
 ASSI {  922}
   (( segid "ENHF" and resid 18   and name HA  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
      2.300     0.500     0.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.85349E-02 ppm1      4.120 ppm2      1.517 CV     1
 OR {  922}
   (( segid "ENHF" and resid 2    and name HA  ))
   (( segid "ENHF" and resid 2    and name HB1 ))
 OR {  922}
   (( segid "ENHF" and resid 18   and name HA  ))
   (( segid "ENHF" and resid 18   and name HG2 ))
 ASSI {  932}
   (( segid "ENHF" and resid 3    and name HA  ))
   (( segid "ENHF" and resid 3    and name HB1 ))
      2.200     0.500     0.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.94209E-02 ppm1      4.208 ppm2      2.101 CV     1
 OR {  932}
   (( segid "ENHF" and resid 50   and name HA  ))
   (( segid "ENHF" and resid 50   and name HB1 ))
 ASSI {  939}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 15   and name HA  ))
      2.800     2.800     3.200 peak   939 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      4.417 ppm2      4.116 CV     1
 OR {  939}
   (( segid "ENHF" and resid 21   and name HA  ))
   (( segid "ENHF" and resid 18   and name HA  ))
 ASSI {  943}
   (( segid "ENHF" and resid 19   and name HA  ))
   (( segid "ENHF" and resid 17   and name HA  ))
      5.300     2.800     0.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.60967E-04 ppm1      4.570 ppm2      4.000 CV     1
 OR {  943}
   (( segid "ENHF" and resid 19   and name HA  ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  948}
   (( segid "ENHF" and resid 40   and name HA  ))
   (( segid "ENHF" and resid 39   and name HB1 ))
      5.800     3.400     0.200 peak   948 spectrum    1 weight  0.10000E+01 volume  0.36470E-04 ppm1      4.238 ppm2      2.084 CV     1
 OR {  948}
   (( segid "ENHF" and resid 40   and name HA  ))
   (( segid "ENHF" and resid 3    and name HB1 ))
 ASSI {  950}
   (( segid "ENHF" and resid 40   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD2%)
      6.000     3.600     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.49859E-04 ppm1      4.237 ppm2      0.625 CV     1
 OR {  950}
   (( segid "ENHF" and resid 40   and name HA  ))
   (  segid "ENHF" and resid 41   and name HG2%)
 ASSI {  953}
   (( segid "ENHF" and resid 34   and name HA  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      5.000     2.500     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.17108E-03 ppm1      4.090 ppm2      0.661 CV     1
 OR {  953}
   (( segid "ENHF" and resid 34   and name HA  ))
   (  segid "ENHF" and resid 36   and name HD2%)
 ASSI {  966}
   (( segid "ENHF" and resid 25   and name HA  ))
   (( segid "ENHF" and resid 25   and name HG2 ))
      3.100     1.000     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.18920E-02 ppm1      4.096 ppm2      2.252 CV     1
 OR {  966}
   (( segid "ENHF" and resid 25   and name HA  ))
   (( segid "ENHF" and resid 24   and name HG2 ))
 ASSI {  967}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 43   and name HG2 ))
      5.600     3.200     0.400 peak   967 spectrum    1 weight  0.10000E+01 volume  0.33899E-04 ppm1      4.252 ppm2      2.360 CV     1
 OR {  967}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 47   and name HG1 ))
 OR {  967}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 50   and name HG1 ))
 OR {  967}
   (( segid "ENHF" and resid 48   and name HA  ))
   (( segid "ENHF" and resid 50   and name HG2 ))
 ASSI {  970}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HG1 ))
      2.400     0.600     0.600 peak   970 spectrum    1 weight  0.10000E+01 volume  0.59311E-02 ppm1      3.107 ppm2      1.583 CV     1
 OR {  970}
   (( segid "ENHF" and resid 51   and name HD1 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 OR {  970}
   (( segid "ENHF" and resid 33   and name HD1 ))
   (( segid "ENHF" and resid 33   and name HG2 ))
 OR {  970}
   (( segid "ENHF" and resid 33   and name HD2 ))
   (( segid "ENHF" and resid 33   and name HG2 ))
 OR {  970}
   (( segid "ENHF" and resid 51   and name HD2 ))
   (( segid "ENHF" and resid 51   and name HG2 ))
 ASSI {  971}
   (( segid "ENHF" and resid 36   and name HG  ))
   (  segid "ENHF" and resid 36   and name HD2%)
      6.000     4.200     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.12537E-04 ppm1      1.458 ppm2      0.618 CV     1
 OR {  971}
   (( segid "ENHF" and resid 36   and name HG  ))
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {   12}
   (( segid "ENHF" and resid 48   and name HZ  ))
   (( segid "ENHF" and resid 17   and name HD2 ))
      5.000     2.500     1.000 peak    12 spectrum    2 weight  0.10000E+01 volume  0.71342E-04 ppm1      7.208 ppm2      1.679 CV     1
 OR {   12}
   (( segid "ENHF" and resid 48   and name HZ  ))
   (( segid "ENHF" and resid 13   and name HG1 ))
 OR {   12}
   (( segid "ENHF" and resid 48   and name HZ  ))
   (( segid "ENHF" and resid 17   and name HD1 ))
 ASSI {   16}
   (( segid "ENHF" and resid 4    and name HH2 ))
   (( segid "ENHF" and resid 2    and name HA  ))
      4.500     2.000     1.500 peak    16 spectrum    2 weight  0.10000E+01 volume  0.12459E-03 ppm1      7.026 ppm2      4.099 CV     1
 OR {   16}
   (( segid "ENHF" and resid 4    and name HH2 ))
   (( segid "ENHF" and resid 44   and name HA  ))
 OR {   16}
   (( segid "ENHF" and resid 4    and name HH2 ))
   (( segid "ENHF" and resid 43   and name HA  ))
 ASSI {   32}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 34   and name HD2%)
      5.000     2.500     1.000 peak    32 spectrum    2 weight  0.10000E+01 volume  0.95309E-04 ppm1      6.437 ppm2      0.523 CV     1
 OR {   32}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {   36}
   (  segid "ENHF" and resid 30   and name HE% )
   (( segid "ENHF" and resid 12   and name HA  ))
      3.000     0.900     0.900 peak    36 spectrum    2 weight  0.10000E+01 volume  0.20277E-02 ppm1      6.352 ppm2      4.007 CV     1
 OR {   36}
   (  segid "ENHF" and resid 30   and name HE% )
   (( segid "ENHF" and resid 30   and name HA  ))
 ASSI {   44}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 9    and name HB2 ))
      2.500     0.600     0.600 peak    44 spectrum    2 weight  0.10000E+01 volume  0.53297E-02 ppm1      7.277 ppm2      2.271 CV     1
 OR {   44}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 9    and name HG2 ))
 OR {   44}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 9    and name HG1 ))
 OR {   44}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 43   and name HB1 ))
 OR {   44}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 9    and name HB1 ))
 ASSI {   45}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 3    and name HB1 ))
      4.700     2.200     1.300 peak    45 spectrum    2 weight  0.10000E+01 volume  0.16174E-03 ppm1      7.276 ppm2      2.087 CV     1
 OR {   45}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 8    and name HB  ))
 ASSI {   46}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 3    and name HA  ))
      5.400     3.000     0.600 peak    46 spectrum    2 weight  0.10000E+01 volume  0.68363E-04 ppm1      7.267 ppm2      4.187 CV     1
 OR {   46}
   (( segid "ENHF" and resid 4    and name HD1 ))
   (( segid "ENHF" and resid 6    and name HA  ))
 ASSI {   53}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 31   and name HB% )
      4.900     2.400     1.100 peak    53 spectrum    2 weight  0.10000E+01 volume  0.88318E-04 ppm1      6.448 ppm2      1.289 CV     1
 OR {   53}
   (  segid "ENHF" and resid 30   and name HD% )
   (( segid "ENHF" and resid 12   and name HG  ))
 ASSI {   54}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 27   and name HD2%)
      5.100     2.600     0.900 peak    54 spectrum    2 weight  0.10000E+01 volume  0.55372E-04 ppm1      6.446 ppm2      0.848 CV     1
 OR {   54}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 22   and name HG2%)
 ASSI {   55}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 22   and name HD1%)
      5.000     2.500     1.000 peak    55 spectrum    2 weight  0.10000E+01 volume  0.59355E-04 ppm1      6.446 ppm2      0.671 CV     1
 OR {   55}
   (  segid "ENHF" and resid 30   and name HD% )
   (  segid "ENHF" and resid 8    and name HG1%)
 ASSI {   67}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (( segid "ENHF" and resid 18   and name HB2 ))
      4.600     2.100     1.400 peak    67 spectrum    2 weight  0.10000E+01 volume  0.76114E-04 ppm1      8.173 ppm2      1.528 CV     1
 OR {   67}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HG2 ))
 OR {   67}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HD1 ))
 OR {   67}
   (( segid "ENHF" and resid 19   and name HE1 ))
   (( segid "ENHF" and resid 11   and name HD2 ))
 ASSI {    9}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 5    and name HN  ))
      5.300     2.800     0.700 peak     9 spectrum    3 weight  0.10000E+01 volume  0.10249E-03 ppm1      8.809 ppm2      8.315 CV     1
 OR {    9}
   (( segid "ENHF" and resid 6    and name HN  ))
   (( segid "ENHF" and resid 9    and name HN  ))
 ASSI {   23}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 25   and name HG1 ))
      6.000     4.100     0.000 peak    23 spectrum    3 weight  0.10000E+01 volume  0.41481E-04 ppm1      8.780 ppm2      2.333 CV     1
 OR {   23}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB1 ))
 ASSI {   24}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 24   and name HG2 ))
      3.800     1.400     1.400 peak    24 spectrum    3 weight  0.10000E+01 volume  0.77247E-03 ppm1      8.779 ppm2      2.230 CV     1
 OR {   24}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 25   and name HG2 ))
 OR {   24}
   (( segid "ENHF" and resid 25   and name HN  ))
   (( segid "ENHF" and resid 24   and name HG1 ))
 ASSI {   41}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 43   and name HN  ))
      5.700     3.300     0.300 peak    41 spectrum    3 weight  0.10000E+01 volume  0.39579E-04 ppm1      8.493 ppm2      8.051 CV     1
 OR {   41}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 48   and name HN  ))
 ASSI {   44}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB1 ))
      2.700     0.700     0.700 peak    44 spectrum    3 weight  0.10000E+01 volume  0.30614E-02 ppm1      8.491 ppm2      4.203 CV     1
 OR {   44}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 45   and name HA  ))
 ASSI {   45}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 42   and name HA  ))
      3.100     0.900     0.900 peak    45 spectrum    3 weight  0.10000E+01 volume  0.15820E-02 ppm1      8.492 ppm2      4.045 CV     1
 OR {   45}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 44   and name HA  ))
 ASSI {   55}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 6    and name HG2 ))
      5.700     3.300     0.300 peak    55 spectrum    3 weight  0.10000E+01 volume  0.48318E-04 ppm1      8.449 ppm2      2.354 CV     1
 OR {   55}
   (( segid "ENHF" and resid 7    and name HN  ))
   (( segid "ENHF" and resid 6    and name HG1 ))
 OR {   55}
   (( segid "ENHF" and resid 45   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG2 ))
 ASSI {   68}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 39   and name HG1 ))
      3.200     1.000     1.000 peak    68 spectrum    3 weight  0.10000E+01 volume  0.28681E-02 ppm1      8.422 ppm2      2.323 CV     1
 OR {   68}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 39   and name HG2 ))
 OR {   68}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 38   and name HG1 ))
 ASSI {   69}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 39   and name HB1 ))
      2.100     0.500     0.500 peak    69 spectrum    3 weight  0.10000E+01 volume  0.10118E-01 ppm1      8.423 ppm2      2.086 CV     1
 OR {   69}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 38   and name HB2 ))
 ASSI {   73}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 44   and name HA  ))
      2.800     0.800     0.800 peak    73 spectrum    3 weight  0.10000E+01 volume  0.24412E-02 ppm1      8.364 ppm2      4.058 CV     1
 OR {   73}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 43   and name HA  ))
 ASSI {   89}
   (( segid "ENHF" and resid 37   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD1%)
      5.300     2.800     0.700 peak    89 spectrum    3 weight  0.10000E+01 volume  0.11759E-03 ppm1      8.323 ppm2      0.497 CV     1
 OR {   89}
   (( segid "ENHF" and resid 31   and name HN  ))
   (  segid "ENHF" and resid 41   and name HD1%)
 OR {   89}
   (( segid "ENHF" and resid 31   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {   90}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 30   and name HA  ))
      3.200     1.000     1.000 peak    90 spectrum    3 weight  0.10000E+01 volume  0.11904E-02 ppm1      8.292 ppm2      4.020 CV     1
 OR {   90}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 29   and name HA  ))
 OR {   90}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 27   and name HA  ))
 ASSI {  109}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 30   and name HN  ))
      2.300     0.500     0.500 peak   109 spectrum    3 weight  0.10000E+01 volume  0.66008E-02 ppm1      8.292 ppm2      7.969 CV     1
 OR {  109}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 32   and name HN  ))
 ASSI {  115}
   (( segid "ENHF" and resid 31   and name HN  ))
   (  segid "ENHF" and resid 31   and name HB% )
      2.300     0.500     0.500 peak   115 spectrum    3 weight  0.10000E+01 volume  0.96852E-02 ppm1      8.292 ppm2      1.265 CV     1
 OR {  115}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
 ASSI {  118}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 12   and name HA  ))
      3.000     0.900     0.900 peak   118 spectrum    3 weight  0.10000E+01 volume  0.19567E-02 ppm1      8.288 ppm2      3.999 CV     1
 OR {  118}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 10   and name HA  ))
 ASSI {  128}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 6    and name HA  ))
      4.500     2.100     1.500 peak   128 spectrum    3 weight  0.10000E+01 volume  0.16566E-03 ppm1      8.268 ppm2      4.168 CV     1
 OR {  128}
   (( segid "ENHF" and resid 9    and name HN  ))
   (( segid "ENHF" and resid 5    and name HB1 ))
 ASSI {  137}
   (( segid "ENHF" and resid 9    and name HN  ))
   (  segid "ENHF" and resid 8    and name HG1%)
      4.700     2.200     1.300 peak   137 spectrum    3 weight  0.10000E+01 volume  0.18312E-03 ppm1      8.267 ppm2      0.633 CV     1
 OR {  137}
   (( segid "ENHF" and resid 9    and name HN  ))
   (  segid "ENHF" and resid 36   and name HD2%)
 ASSI {  138}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 14   and name HN  ))
      5.300     2.900     0.700 peak   138 spectrum    3 weight  0.10000E+01 volume  0.57703E-04 ppm1      8.272 ppm2      7.984 CV     1
 OR {  138}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 15   and name HN  ))
 ASSI {  141}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 10   and name HN  ))
      5.700     3.300     0.300 peak   141 spectrum    3 weight  0.10000E+01 volume  0.36858E-04 ppm1      8.267 ppm2      8.072 CV     1
 OR {  141}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 14   and name HN  ))
 ASSI {  142}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HN  ))
      2.500     0.600     0.600 peak   142 spectrum    3 weight  0.10000E+01 volume  0.39493E-02 ppm1      8.267 ppm2      7.747 CV     1
 OR {  142}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 11   and name HN  ))
 ASSI {  143}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 12   and name HA  ))
      2.900     0.800     0.800 peak   143 spectrum    3 weight  0.10000E+01 volume  0.21444E-02 ppm1      8.267 ppm2      4.002 CV     1
 OR {  143}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 27   and name HA  ))
 ASSI {  145}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 11   and name HB1 ))
      2.700     0.700     0.700 peak   145 spectrum    3 weight  0.10000E+01 volume  0.30948E-02 ppm1      8.267 ppm2      1.920 CV     1
 OR {  145}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB2 ))
 OR {  145}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 11   and name HB2 ))
 ASSI {  146}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 11   and name HG2 ))
      6.000     3.700     0.000 peak   146 spectrum    3 weight  0.10000E+01 volume  0.38393E-04 ppm1      8.267 ppm2      1.500 CV     1
 OR {  146}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG11))
 ASSI {  148}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG12))
      2.600     0.700     0.700 peak   148 spectrum    3 weight  0.10000E+01 volume  0.37621E-02 ppm1      8.267 ppm2      1.251 CV     1
 OR {  148}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 12   and name HG  ))
 ASSI {  150}
   (( segid "ENHF" and resid 27   and name HN  ))
   (  segid "ENHF" and resid 27   and name HD2%)
      6.000     4.000     0.000 peak   150 spectrum    3 weight  0.10000E+01 volume  0.40731E-04 ppm1      8.221 ppm2      0.834 CV     1
 OR {  150}
   (( segid "ENHF" and resid 27   and name HN  ))
   (  segid "ENHF" and resid 27   and name HD1%)
 OR {  150}
   (( segid "ENHF" and resid 27   and name HN  ))
   (  segid "ENHF" and resid 22   and name HG2%)
 ASSI {  154}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 27   and name HA  ))
      2.700     0.700     0.700 peak   154 spectrum    3 weight  0.10000E+01 volume  0.29680E-02 ppm1      8.218 ppm2      4.006 CV     1
 OR {  154}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 26   and name HA  ))
 ASSI {  161}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 21   and name HN  ))
      3.200     3.200     2.800 peak   161 spectrum    3 weight  0.10000E+01 volume  0.16922E-02 ppm1      8.216 ppm2      8.406 CV     1
 OR {  161}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 20   and name HN  ))
 ASSI {  165}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 14   and name HA  ))
      5.100     2.600     0.900 peak   165 spectrum    3 weight  0.10000E+01 volume  0.91488E-04 ppm1      8.215 ppm2      4.004 CV     1
 OR {  165}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 12   and name HA  ))
 OR {  165}
   (( segid "ENHF" and resid 16   and name HN  ))
   (( segid "ENHF" and resid 17   and name HA  ))
 ASSI {  172}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 47   and name HB1 ))
      6.000     3.600     0.000 peak   172 spectrum    3 weight  0.10000E+01 volume  0.35061E-04 ppm1      8.177 ppm2      1.967 CV     1
 OR {  172}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 42   and name HB1 ))
 OR {  172}
   (( segid "ENHF" and resid 46   and name HN  ))
   (( segid "ENHF" and resid 47   and name HB2 ))
 ASSI {  185}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 7    and name HN  ))
      5.000     2.500     1.000 peak   185 spectrum    3 weight  0.10000E+01 volume  0.75792E-04 ppm1      8.145 ppm2      8.456 CV     1
 OR {  185}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 28   and name HE1 ))
 ASSI {  187}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 29   and name HA  ))
      2.500     0.600     0.600 peak   187 spectrum    3 weight  0.10000E+01 volume  0.47926E-02 ppm1      8.143 ppm2      4.019 CV     1
 OR {  187}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 26   and name HA  ))
 ASSI {  193}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 9    and name HN  ))
      2.500     0.600     0.600 peak   193 spectrum    3 weight  0.10000E+01 volume  0.54263E-02 ppm1      8.113 ppm2      8.263 CV     1
 OR {  193}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 12   and name HN  ))
 OR {  193}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 31   and name HN  ))
 ASSI {  196}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 29   and name HA  ))
      2.500     0.600     0.600 peak   196 spectrum    3 weight  0.10000E+01 volume  0.44794E-02 ppm1      8.113 ppm2      4.002 CV     1
 OR {  196}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HA  ))
 ASSI {  198}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 29   and name HG2 ))
      2.900     0.800     0.800 peak   198 spectrum    3 weight  0.10000E+01 volume  0.32463E-02 ppm1      8.111 ppm2      2.383 CV     1
 OR {  198}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HG1 ))
 OR {  198}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HG2 ))
 ASSI {  200}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      2.100     0.400     0.400 peak   200 spectrum    3 weight  0.10000E+01 volume  0.13429E-01 ppm1      8.112 ppm2      2.113 CV     1
 OR {  200}
   (( segid "ENHF" and resid 29   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB2 ))
 OR {  200}
   (( segid "ENHF" and resid 10   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 ASSI {  207}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 43   and name HG2 ))
      4.200     1.800     1.800 peak   207 spectrum    3 weight  0.10000E+01 volume  0.52264E-03 ppm1      8.098 ppm2      2.397 CV     1
 OR {  207}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 38   and name HG2 ))
 ASSI {  208}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
      3.300     1.100     1.100 peak   208 spectrum    3 weight  0.10000E+01 volume  0.10315E-02 ppm1      8.096 ppm2      4.232 CV     1
 OR {  208}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
 ASSI {  215}
   (( segid "ENHF" and resid 41   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      3.000     0.900     0.900 peak   215 spectrum    3 weight  0.10000E+01 volume  0.16646E-02 ppm1      8.084 ppm2      1.557 CV     1
 OR {  215}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 ASSI {  224}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 42   and name HG2 ))
      6.000     3.600     0.000 peak   224 spectrum    3 weight  0.10000E+01 volume  0.39231E-04 ppm1      8.069 ppm2      1.584 CV     1
 OR {  224}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 51   and name HG1 ))
 OR {  224}
   (( segid "ENHF" and resid 42   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
 ASSI {  225}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 44   and name HN  ))
      5.600     3.100     0.400 peak   225 spectrum    3 weight  0.10000E+01 volume  0.46521E-04 ppm1      8.064 ppm2      8.387 CV     1
 OR {  225}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 39   and name HN  ))
 ASSI {  234}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 5    and name HN  ))
      4.600     2.200     1.400 peak   234 spectrum    3 weight  0.10000E+01 volume  0.15457E-03 ppm1      8.035 ppm2      8.275 CV     1
 OR {  234}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 37   and name HN  ))
 ASSI {  235}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 37   and name HD21))
      4.400     2.000     1.600 peak   235 spectrum    3 weight  0.10000E+01 volume  0.28281E-03 ppm1      8.033 ppm2      7.718 CV     1
 OR {  235}
   (( segid "ENHF" and resid 3    and name HN  ))
   (( segid "ENHF" and resid 43   and name HE21))
 ASSI {  243}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 47   and name HA  ))
      2.900     0.800     0.800 peak   243 spectrum    3 weight  0.10000E+01 volume  0.22247E-02 ppm1      8.038 ppm2      4.067 CV     1
 OR {  243}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 39   and name HA  ))
 ASSI {  248}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 38   and name HB1 ))
      5.600     3.200     0.400 peak   248 spectrum    3 weight  0.10000E+01 volume  0.46958E-04 ppm1      8.036 ppm2      2.103 CV     1
 OR {  248}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 47   and name HG2 ))
 OR {  248}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB2 ))
 OR {  248}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB2 ))
 ASSI {  249}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
      2.700     0.700     0.700 peak   249 spectrum    3 weight  0.10000E+01 volume  0.25871E-02 ppm1      8.032 ppm2      2.883 CV     1
 OR {  249}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB1 ))
 ASSI {  250}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      2.900     0.900     0.900 peak   250 spectrum    3 weight  0.10000E+01 volume  0.19963E-02 ppm1      8.035 ppm2      2.620 CV     1
 OR {  250}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
 ASSI {  252}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 17   and name HN  ))
      3.200     3.200     2.800 peak   252 spectrum    3 weight  0.10000E+01 volume  0.11819E-02 ppm1      8.028 ppm2      7.736 CV     1
 OR {  252}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 11   and name HN  ))
 ASSI {  256}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 13   and name HG1 ))
      6.000     3.700     0.000 peak   256 spectrum    3 weight  0.10000E+01 volume  0.39004E-04 ppm1      8.025 ppm2      1.735 CV     1
 OR {  256}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 51   and name HB2 ))
 OR {  256}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 13   and name HD1 ))
 ASSI {  259}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 14   and name HA  ))
      2.100     0.400     0.400 peak   259 spectrum    3 weight  0.10000E+01 volume  0.14074E-01 ppm1      8.022 ppm2      4.038 CV     1
 OR {  259}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 49   and name HA  ))
 OR {  259}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 11   and name HA  ))
 ASSI {  263}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      2.000     0.400     0.400 peak   263 spectrum    3 weight  0.10000E+01 volume  0.16243E-01 ppm1      8.020 ppm2      1.954 CV     1
 OR {  263}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 49   and name HB2 ))
 OR {  263}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 49   and name HB1 ))
 ASSI {  264}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 48   and name HA  ))
      2.500     2.500     3.500 peak   264 spectrum    3 weight  0.10000E+01 volume  0.52802E-02 ppm1      8.017 ppm2      4.197 CV     1
 OR {  264}
   (( segid "ENHF" and resid 49   and name HN  ))
   (( segid "ENHF" and resid 50   and name HA  ))
 ASSI {  267}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 32   and name HA  ))
      2.400     0.600     0.600 peak   267 spectrum    3 weight  0.10000E+01 volume  0.62805E-02 ppm1      8.002 ppm2      4.025 CV     1
 OR {  267}
   (( segid "ENHF" and resid 32   and name HN  ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {  273}
   (( segid "ENHF" and resid 32   and name HN  ))
   (  segid "ENHF" and resid 41   and name HD1%)
      4.900     2.400     1.100 peak   273 spectrum    3 weight  0.10000E+01 volume  0.17658E-03 ppm1      7.999 ppm2      0.516 CV     1
 OR {  273}
   (( segid "ENHF" and resid 32   and name HN  ))
   (  segid "ENHF" and resid 36   and name HD1%)
 ASSI {  275}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 12   and name HA  ))
      3.000     0.900     0.900 peak   275 spectrum    3 weight  0.10000E+01 volume  0.14555E-02 ppm1      7.994 ppm2      3.999 CV     1
 OR {  275}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  291}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 30   and name HA  ))
      2.500     0.600     0.600 peak   291 spectrum    3 weight  0.10000E+01 volume  0.50582E-02 ppm1      7.937 ppm2      3.999 CV     1
 OR {  291}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 27   and name HA  ))
 OR {  291}
   (( segid "ENHF" and resid 30   and name HN  ))
   (( segid "ENHF" and resid 29   and name HA  ))
 ASSI {  294}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 21   and name HA  ))
      2.500     0.600     0.600 peak   294 spectrum    3 weight  0.10000E+01 volume  0.40568E-02 ppm1      7.933 ppm2      4.397 CV     1
 OR {  294}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 22   and name HA  ))
 ASSI {  295}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 21   and name HB1 ))
      2.900     0.800     0.800 peak   295 spectrum    3 weight  0.10000E+01 volume  0.19242E-02 ppm1      7.934 ppm2      1.852 CV     1
 OR {  295}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 22   and name HB  ))
 ASSI {  298}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 52   and name HB2 ))
      2.900     0.800     0.800 peak   298 spectrum    3 weight  0.10000E+01 volume  0.37150E-02 ppm1      7.890 ppm2      1.649 CV     1
 OR {  298}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 51   and name HB2 ))
 OR {  298}
   (( segid "ENHF" and resid 52   and name HN  ))
   (( segid "ENHF" and resid 52   and name HD1 ))
 ASSI {  301}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 49   and name HN  ))
      2.300     0.500     0.500 peak   301 spectrum    3 weight  0.10000E+01 volume  0.69400E-02 ppm1      7.839 ppm2      8.006 CV     1
 OR {  301}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 51   and name HN  ))
 ASSI {  306}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 50   and name HB2 ))
      2.200     0.500     0.500 peak   306 spectrum    3 weight  0.10000E+01 volume  0.92821E-02 ppm1      7.837 ppm2      1.979 CV     1
 OR {  306}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 49   and name HB1 ))
 ASSI {  309}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 33   and name HA  ))
      2.300     0.500     0.500 peak   309 spectrum    3 weight  0.10000E+01 volume  0.75746E-02 ppm1      7.823 ppm2      3.988 CV     1
 OR {  309}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 32   and name HA  ))
 OR {  309}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 30   and name HA  ))
 ASSI {  318}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 48   and name HA  ))
      4.800     2.300     1.200 peak   318 spectrum    3 weight  0.10000E+01 volume  0.11865E-03 ppm1      7.803 ppm2      4.194 CV     1
 OR {  318}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 45   and name HA  ))
 ASSI {  324}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 26   and name HB2 ))
      3.200     1.000     1.000 peak   324 spectrum    3 weight  0.10000E+01 volume  0.14298E-02 ppm1      7.759 ppm2      1.903 CV     1
 OR {  324}
   (( segid "ENHF" and resid 26   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB2 ))
 ASSI {  327}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB1 ))
      2.800     0.800     0.800 peak   327 spectrum    3 weight  0.10000E+01 volume  0.24725E-02 ppm1      7.746 ppm2      2.120 CV     1
 OR {  327}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 16   and name HB  ))
 OR {  327}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 10   and name HB2 ))
 ASSI {  328}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
      3.500     1.200     1.200 peak   328 spectrum    3 weight  0.10000E+01 volume  0.11755E-02 ppm1      7.728 ppm2      1.554 CV     1
 OR {  328}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HD2 ))
 OR {  328}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HD1 ))
 OR {  328}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
 ASSI {  344}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HG2 ))
      3.800     1.400     1.400 peak   344 spectrum    3 weight  0.10000E+01 volume  0.85365E-03 ppm1      7.745 ppm2      1.482 CV     1
 OR {  344}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG2 ))
 OR {  344}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
 ASSI {  346}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
      3.300     1.100     1.100 peak   346 spectrum    3 weight  0.10000E+01 volume  0.14823E-02 ppm1      7.746 ppm2      1.603 CV     1
 OR {  346}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HG1 ))
 OR {  346}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  347}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 16   and name HN  ))
      2.500     0.600     0.600 peak   347 spectrum    3 weight  0.10000E+01 volume  0.42852E-02 ppm1      7.723 ppm2      8.225 CV     1
 OR {  347}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 12   and name HN  ))
 ASSI {  349}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 8    and name HA  ))
      3.300     1.100     1.100 peak   349 spectrum    3 weight  0.10000E+01 volume  0.10267E-02 ppm1      7.728 ppm2      3.564 CV     1
 OR {  349}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 16   and name HA  ))
 ASSI {  350}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HB2 ))
      2.200     0.500     0.500 peak   350 spectrum    3 weight  0.10000E+01 volume  0.97449E-02 ppm1      7.726 ppm2      1.892 CV     1
 OR {  350}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {  350}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 ASSI {  351}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 15   and name HN  ))
      4.100     1.700     1.700 peak   351 spectrum    3 weight  0.10000E+01 volume  0.41024E-03 ppm1      7.729 ppm2      7.996 CV     1
 OR {  351}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 14   and name HN  ))
 ASSI {  353}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 17   and name HA  ))
      2.400     0.600     0.600 peak   353 spectrum    3 weight  0.10000E+01 volume  0.65111E-02 ppm1      7.729 ppm2      3.999 CV     1
 OR {  353}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 10   and name HA  ))
 OR {  353}
   (( segid "ENHF" and resid 17   and name HN  ))
   (( segid "ENHF" and resid 14   and name HA  ))
 ASSI {  354}
   (( segid "ENHF" and resid 17   and name HN  ))
   (  segid "ENHF" and resid 16   and name HG2%)
      4.400     1.900     1.600 peak   354 spectrum    3 weight  0.10000E+01 volume  0.40631E-03 ppm1      7.729 ppm2      1.040 CV     1
 OR {  354}
   (( segid "ENHF" and resid 11   and name HN  ))
   (( segid "ENHF" and resid 12   and name HB2 ))
 ASSI {  356}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 36   and name HN  ))
      2.100     0.500     0.500 peak   356 spectrum    3 weight  0.10000E+01 volume  0.96170E-02 ppm1      7.689 ppm2      7.382 CV     1
 OR {  356}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 34   and name HN  ))
 ASSI {  357}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 35   and name HA1 ))
      2.500     0.600     0.600 peak   357 spectrum    3 weight  0.10000E+01 volume  0.55224E-02 ppm1      7.688 ppm2      4.063 CV     1
 OR {  357}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 32   and name HA  ))
 ASSI {  360}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 18   and name HA  ))
      4.300     1.900     1.700 peak   360 spectrum    3 weight  0.10000E+01 volume  0.21262E-03 ppm1      7.561 ppm2      4.118 CV     1
 OR {  360}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 15   and name HA  ))
 ASSI {  365}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 37   and name HD21))
      6.000     4.300     0.000 peak   365 spectrum    3 weight  0.10000E+01 volume  0.28084E-04 ppm1      7.502 ppm2      7.699 CV     1
 OR {  365}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 43   and name HE21))
 ASSI {  374}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
      2.400     0.600     0.600 peak   374 spectrum    3 weight  0.10000E+01 volume  0.47278E-02 ppm1      7.439 ppm2      1.602 CV     1
 OR {  374}
   (( segid "ENHF" and resid 18   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  379}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 34   and name HA  ))
      3.000     0.900     0.900 peak   379 spectrum    3 weight  0.10000E+01 volume  0.17202E-02 ppm1      7.403 ppm2      4.074 CV     1
 OR {  379}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 32   and name HA  ))
 ASSI {  383}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 34   and name HB1 ))
      2.700     0.700     0.700 peak   383 spectrum    3 weight  0.10000E+01 volume  0.62599E-02 ppm1      7.403 ppm2      1.482 CV     1
 OR {  383}
   (( segid "ENHF" and resid 34   and name HN  ))
   (( segid "ENHF" and resid 36   and name HG  ))
 ASSI {  390}
   (( segid "ENHF" and resid 36   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
      2.300     0.500     0.500 peak   390 spectrum    3 weight  0.10000E+01 volume  0.67799E-02 ppm1      7.364 ppm2      1.244 CV     1
 OR {  390}
   (( segid "ENHF" and resid 36   and name HN  ))
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  395}
   (( segid "ENHF" and resid 2    and name HN  ))
   (( segid "ENHF" and resid 2    and name HA  ))
      4.100     1.700     1.700 peak   395 spectrum    3 weight  0.10000E+01 volume  0.29220E-03 ppm1      8.693 ppm2      4.062 CV     1
 OR {  395}
   (( segid "ENHF" and resid 2    and name HN  ))
   (( segid "ENHF" and resid 1    and name HA  ))
 ASSI {  398}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 9    and name HG2 ))
      3.100     0.900     0.900 peak   398 spectrum    3 weight  0.10000E+01 volume  0.16177E-02 ppm1     10.685 ppm2      2.261 CV     1
 OR {  398}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 9    and name HB2 ))
 OR {  398}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 9    and name HG1 ))
 OR {  398}
   (( segid "ENHF" and resid 4    and name HE1 ))
   (( segid "ENHF" and resid 43   and name HB1 ))
 ASSI {  430}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 37   and name HB1 ))
      5.800     3.300     0.200 peak   430 spectrum    3 weight  0.10000E+01 volume  0.22990E-04 ppm1      8.070 ppm2      3.191 CV     1
 OR {  430}
   (( segid "ENHF" and resid 40   and name HN  ))
   (( segid "ENHF" and resid 42   and name HD2 ))
 ASSI {  445}
   (( segid "ENHF" and resid 27   and name HN  ))
   (( segid "ENHF" and resid 25   and name HB1 ))
      6.000     4.100     0.000 peak   445 spectrum    3 weight  0.10000E+01 volume  0.31590E-04 ppm1      8.218 ppm2      2.063 CV     1
 OR {  445}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 14   and name HB2 ))
 OR {  445}
   (( segid "ENHF" and resid 12   and name HN  ))
   (( segid "ENHF" and resid 8    and name HB  ))
 ASSI {  451}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 25   and name HA  ))
      6.000     5.500     0.000 peak   451 spectrum    3 weight  0.10000E+01 volume  0.15804E-04 ppm1      9.024 ppm2      4.048 CV     1
 OR {  451}
   (( segid "ENHF" and resid 24   and name HN  ))
   (( segid "ENHF" and resid 27   and name HA  ))
 ASSI {  460}
   (( segid "ENHF" and resid 33   and name HN  ))
   (( segid "ENHF" and resid 34   and name HG  ))
      6.000     4.400     0.000 peak   460 spectrum    3 weight  0.10000E+01 volume  0.23741E-04 ppm1      7.827 ppm2      1.237 CV     1
 OR {  460}
   (( segid "ENHF" and resid 33   and name HN  ))
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  463}
   (( segid "ENHF" and resid 44   and name HN  ))
   (  segid "ENHF" and resid 48   and name HD% )
      6.000     4.100     0.000 peak   463 spectrum    3 weight  0.10000E+01 volume  0.25345E-04 ppm1      8.365 ppm2      7.056 CV     1
 OR {  463}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 45   and name HZ  ))
 ASSI {  465}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 40   and name HA  ))
      6.000     4.400     0.000 peak   465 spectrum    3 weight  0.10000E+01 volume  0.20723E-04 ppm1      8.363 ppm2      4.198 CV     1
 OR {  465}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 45   and name HA  ))
 ASSI {  466}
   (( segid "ENHF" and resid 44   and name HN  ))
   (  segid "ENHF" and resid 40   and name HB% )
      6.000     4.200     0.000 peak   466 spectrum    3 weight  0.10000E+01 volume  0.14896E-04 ppm1      8.371 ppm2      1.563 CV     1
 OR {  466}
   (( segid "ENHF" and resid 44   and name HN  ))
   (( segid "ENHF" and resid 42   and name HG2 ))
 ASSI {  487}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 19   and name HB1 ))
      6.000     4.800     0.000 peak   487 spectrum    3 weight  0.10000E+01 volume  0.21072E-04 ppm1      7.991 ppm2      2.912 CV     1
 OR {  487}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 13   and name HE1 ))
 OR {  487}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 13   and name HE2 ))
 ASSI {  489}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 13   and name HB1 ))
      6.000     4.000     0.000 peak   489 spectrum    3 weight  0.10000E+01 volume  0.30648E-04 ppm1      7.994 ppm2      1.914 CV     1
 OR {  489}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 11   and name HB1 ))
 OR {  489}
   (( segid "ENHF" and resid 15   and name HN  ))
   (( segid "ENHF" and resid 17   and name HB1 ))
 ASSI {  494}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 45   and name HN  ))
      5.900     3.500     0.100 peak   494 spectrum    3 weight  0.10000E+01 volume  0.33265E-04 ppm1      8.067 ppm2      8.508 CV     1
 OR {  494}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 45   and name HN  ))
 ASSI {  501}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 43   and name HB2 ))
      6.000     3.600     0.000 peak   501 spectrum    3 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.424 ppm2      2.196 CV     1
 OR {  501}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 3    and name HG1 ))
 OR {  501}
   (( segid "ENHF" and resid 39   and name HN  ))
   (( segid "ENHF" and resid 3    and name HG2 ))
 ASSI {  505}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 21   and name HG2 ))
      6.000     4.100     0.000 peak   505 spectrum    3 weight  0.10000E+01 volume  0.19083E-04 ppm1      8.355 ppm2      1.507 CV     1
 OR {  505}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB2 ))
 OR {  505}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG11))
 ASSI {  506}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 19   and name HN  ))
      6.000     3.800     0.000 peak   506 spectrum    3 weight  0.10000E+01 volume  0.30561E-04 ppm1      8.361 ppm2      7.558 CV     1
 OR {  506}
   (( segid "ENHF" and resid 20   and name HN  ))
   (( segid "ENHF" and resid 20   and name HE21))
 ASSI {  508}
   (( segid "ENHF" and resid 48   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG1 ))
      5.800     3.400     0.200 peak   508 spectrum    3 weight  0.10000E+01 volume  0.27369E-04 ppm1      8.040 ppm2      2.493 CV     1
 OR {  508}
   (( segid "ENHF" and resid 42   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG1 ))
 ASSI {  510}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 28   and name HE1 ))
      3.100     3.100     2.900 peak   510 spectrum    3 weight  0.10000E+01 volume  0.21327E-02 ppm1      8.292 ppm2      8.504 CV     1
 OR {  510}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 28   and name HE1 ))
 ASSI {  511}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 32   and name HN  ))
      3.900     1.500     1.500 peak   511 spectrum    3 weight  0.10000E+01 volume  0.55751E-03 ppm1      8.323 ppm2      8.047 CV     1
 OR {  511}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 40   and name HN  ))
 ASSI {  512}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB1 ))
      6.000     4.400     0.000 peak   512 spectrum    3 weight  0.10000E+01 volume  0.20496E-04 ppm1      8.289 ppm2      2.183 CV     1
 OR {  512}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 32   and name HG2 ))
 OR {  512}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 43   and name HB2 ))
 ASSI {  513}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB1 ))
      6.000     5.400     0.000 peak   513 spectrum    3 weight  0.10000E+01 volume  0.21107E-04 ppm1      8.291 ppm2      2.017 CV     1
 OR {  513}
   (( segid "ENHF" and resid 31   and name HN  ))
   (( segid "ENHF" and resid 32   and name HB2 ))
 OR {  513}
   (( segid "ENHF" and resid 37   and name HN  ))
   (( segid "ENHF" and resid 39   and name HB2 ))
 ASSI {  515}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 21   and name HG2 ))
      5.100     2.600     0.900 peak   515 spectrum    3 weight  0.10000E+01 volume  0.84427E-04 ppm1      7.936 ppm2      1.506 CV     1
 OR {  515}
   (( segid "ENHF" and resid 22   and name HN  ))
   (( segid "ENHF" and resid 22   and name HG11))
 ASSI {  520}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 15   and name HB2 ))
      6.000     4.700     0.000 peak   520 spectrum    3 weight  0.10000E+01 volume  0.27822E-04 ppm1      8.030 ppm2      3.044 CV     1
 OR {  520}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 18   and name HD1 ))
 OR {  520}
   (( segid "ENHF" and resid 14   and name HN  ))
   (( segid "ENHF" and resid 18   and name HD2 ))
 ASSI {  523}
   (( segid "ENHF" and resid 4    and name HN  ))
   (( segid "ENHF" and resid 2    and name HB2 ))
      6.000     3.600     0.000 peak   523 spectrum    3 weight  0.10000E+01 volume  0.19572E-04 ppm1      7.508 ppm2      1.307 CV     1
 OR {  523}
   (( segid "ENHF" and resid 4    and name HN  ))
   (  segid "ENHF" and resid 31   and name HB% )
 ASSI {  527}
   (( segid "ENHF" and resid 50   and name HN  ))
   (  segid "ENHF" and resid 48   and name HE% )
      4.700     2.300     1.300 peak   527 spectrum    3 weight  0.10000E+01 volume  0.10301E-03 ppm1      7.838 ppm2      7.255 CV     1
 OR {  527}
   (( segid "ENHF" and resid 50   and name HN  ))
   (( segid "ENHF" and resid 51   and name HE  ))
 ASSI {  534}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 11   and name HG1 ))
      6.000     4.100     0.000 peak   534 spectrum    3 weight  0.10000E+01 volume  0.27560E-04 ppm1      8.289 ppm2      1.603 CV     1
 OR {  534}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  534}
   (( segid "ENHF" and resid 13   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  539}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 18   and name HB1 ))
      6.000     3.900     0.000 peak   539 spectrum    3 weight  0.10000E+01 volume  0.30247E-04 ppm1      7.554 ppm2      1.598 CV     1
 OR {  539}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 17   and name HG1 ))
 OR {  539}
   (( segid "ENHF" and resid 19   and name HN  ))
   (( segid "ENHF" and resid 18   and name HG1 ))
 ASSI {  541}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 42   and name HD1 ))
      6.000     3.900     0.000 peak   541 spectrum    3 weight  0.10000E+01 volume  0.24089E-04 ppm1      8.104 ppm2      3.211 CV     1
 OR {  541}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 42   and name HD2 ))
 OR {  541}
   (( segid "ENHF" and resid 43   and name HN  ))
   (( segid "ENHF" and resid 45   and name HB2 ))
 OR {  541}
   (( segid "ENHF" and resid 41   and name HN  ))
   (( segid "ENHF" and resid 42   and name HD2 ))
 ASSI {  544}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 47   and name HA  ))
      2.500     0.600     0.600 peak   544 spectrum    3 weight  0.10000E+01 volume  0.53639E-02 ppm1      7.806 ppm2      4.066 CV     1
 OR {  544}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 43   and name HA  ))
 OR {  544}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 46   and name HA  ))
 ASSI {  545}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 48   and name HB2 ))
      6.000     4.300     0.000 peak   545 spectrum    3 weight  0.10000E+01 volume  0.20583E-04 ppm1      7.808 ppm2      2.598 CV     1
 OR {  545}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 43   and name HG1 ))
 ASSI {  546}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 46   and name HB2 ))
      3.300     1.100     1.100 peak   546 spectrum    3 weight  0.10000E+01 volume  0.14401E-02 ppm1      7.805 ppm2      2.093 CV     1
 OR {  546}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 47   and name HG2 ))
 ASSI {  547}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 46   and name HG2 ))
      3.300     1.100     1.100 peak   547 spectrum    3 weight  0.10000E+01 volume  0.10280E-02 ppm1      7.805 ppm2      2.326 CV     1
 OR {  547}
   (( segid "ENHF" and resid 47   and name HN  ))
   (( segid "ENHF" and resid 47   and name HG1 ))
 ASSI {  548}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 24   and name HG2 ))
      6.000     3.800     0.000 peak   548 spectrum    3 weight  0.10000E+01 volume  0.27002E-04 ppm1      8.708 ppm2      2.186 CV     1
 OR {  548}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 24   and name HG1 ))
 OR {  548}
   (( segid "ENHF" and resid 28   and name HN  ))
   (( segid "ENHF" and resid 29   and name HB1 ))
 ASSI {  570}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 36   and name HB2 ))
      6.000     4.500     0.000 peak   570 spectrum    3 weight  0.10000E+01 volume  0.28799E-04 ppm1      7.686 ppm2      1.232 CV     1
 OR {  570}
   (( segid "ENHF" and resid 35   and name HN  ))
   (( segid "ENHF" and resid 34   and name HG  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1 -12.578  -9.819   2.834
    2    H2   MET   1           2H       MET   1 -13.857  -9.873   3.947
    3    H3   MET   1           3H       MET   1 -12.512 -10.883   4.151
    4    HA   MET   1           HA       MET   1 -12.516  -7.925   4.312
    5    HB2  MET   1           1HB      MET   1 -12.289 -10.066   6.432
    6    HB3  MET   1           2HB      MET   1 -11.868  -8.382   6.709
    7    HG2  MET   1           1HG      MET   1 -14.575  -9.432   5.926
    8    HG3  MET   1           2HG      MET   1 -14.096  -8.853   7.524
    9    HE1  MET   1           3HE      MET   1 -16.236  -7.225   7.509
   10    HE2  MET   1           1HE      MET   1 -16.665  -7.814   5.903
   11    HE3  MET   1           2HE      MET   1 -16.569  -6.081   6.208
   12    H    LYS   2           H        LYS   2 -10.699 -10.885   4.053
   13    HA   LYS   2           HA       LYS   2  -8.175  -9.461   4.332
   14    HB2  LYS   2           1HB      LYS   2  -8.867 -12.356   3.855
   15    HB3  LYS   2           2HB      LYS   2  -7.217 -11.758   3.767
   16    HG2  LYS   2           1HG      LYS   2  -7.283 -11.084   6.072
   17    HG3  LYS   2           2HG      LYS   2  -8.990 -11.509   6.188
   18    HD2  LYS   2           1HD      LYS   2  -6.825 -13.488   5.501
   19    HD3  LYS   2           2HD      LYS   2  -7.393 -13.200   7.148
   20    HE2  LYS   2           1HE      LYS   2  -9.662 -13.823   6.462
   21    HE3  LYS   2           2HE      LYS   2  -9.081 -14.124   4.826
   22    HZ1  LYS   2           3HZ      LYS   2  -7.766 -15.928   5.589
   23    HZ2  LYS   2           1HZ      LYS   2  -9.315 -16.136   6.246
   24    HZ3  LYS   2           2HZ      LYS   2  -8.056 -15.552   7.218
   25    H    GLN   3           H        GLN   3  -7.700  -8.211   2.651
   26    HA   GLN   3           HA       GLN   3  -7.961  -9.372  -0.051
   27    HB2  GLN   3           1HB      GLN   3  -8.275  -6.531   0.897
   28    HB3  GLN   3           2HB      GLN   3  -7.917  -6.902  -0.784
   29    HG2  GLN   3           1HG      GLN   3  -9.949  -8.196  -0.966
   30    HG3  GLN   3           2HG      GLN   3 -10.304  -7.918   0.740
   31   HE21  GLN   3          1HE2      GLN   3 -11.076  -5.917   1.392
   32   HE22  GLN   3          2HE2      GLN   3 -11.615  -4.718   0.261
   33    H    TRP   4           H        TRP   4  -5.828  -9.258   2.120
   34    HA   TRP   4           HA       TRP   4  -3.533  -9.071   0.532
   35    HB2  TRP   4           1HB      TRP   4  -2.571  -7.099   2.011
   36    HB3  TRP   4           2HB      TRP   4  -3.435  -6.775   0.529
   37    HD1  TRP   4           HD1      TRP   4  -4.553  -4.524   0.972
   38    HE1  TRP   4           HE1      TRP   4  -6.174  -3.578   2.728
   39    HE3  TRP   4           HE3      TRP   4  -4.507  -8.407   4.231
   40    HZ2  TRP   4           HZ2      TRP   4  -7.279  -4.387   5.199
   41    HZ3  TRP   4           HZ3      TRP   4  -5.868  -8.263   6.284
   42    HH2  TRP   4           HH2      TRP   4  -7.225  -6.286   6.755
   43    H    SER   5           H        SER   5  -1.559  -8.729   2.289
   44    HA   SER   5           HA       SER   5  -2.147 -10.475   4.528
   45    HB2  SER   5           1HB      SER   5   0.457  -9.055   3.971
   46    HB3  SER   5           2HB      SER   5   0.200 -10.521   4.920
   47    HG   SER   5           HG       SER   5   1.028 -10.964   2.814
   48    H    GLU   6           H        GLU   6  -2.979  -9.665   6.296
   49    HA   GLU   6           HA       GLU   6  -3.705  -7.234   7.033
   50    HB2  GLU   6           1HB      GLU   6  -4.146  -9.170   8.401
   51    HB3  GLU   6           2HB      GLU   6  -2.450  -9.294   8.849
   52    HG2  GLU   6           1HG      GLU   6  -3.641  -8.360  10.683
   53    HG3  GLU   6           2HG      GLU   6  -2.648  -7.088   9.975
   54    H    ASN   7           H        ASN   7  -0.456  -8.432   7.969
   55    HA   ASN   7           HA       ASN   7   0.174  -5.928   9.199
   56    HB2  ASN   7           1HB      ASN   7   1.803  -8.402   8.674
   57    HB3  ASN   7           2HB      ASN   7   2.471  -6.974   9.457
   58   HD21  ASN   7          1HD2      ASN   7   1.780  -6.422  11.514
   59   HD22  ASN   7          2HD2      ASN   7   0.928  -7.527  12.532
   60    H    VAL   8           H        VAL   8   0.373  -7.068   6.035
   61    HA   VAL   8           HA       VAL   8   2.609  -5.478   5.196
   62    HB   VAL   8           HB       VAL   8   0.403  -6.815   3.614
   63   HG11  VAL   8          1HG1      VAL   8   1.978  -6.448   1.681
   64   HG12  VAL   8          2HG1      VAL   8   2.808  -5.264   2.690
   65   HG13  VAL   8          3HG1      VAL   8   1.113  -5.028   2.256
   66   HG21  VAL   8          3HG2      VAL   8   1.941  -8.338   4.750
   67   HG22  VAL   8          1HG2      VAL   8   3.311  -7.523   3.994
   68   HG23  VAL   8          2HG2      VAL   8   2.147  -8.401   2.999
   69    H    GLU   9           H        GLU   9  -0.910  -5.197   5.002
   70    HA   GLU   9           HA       GLU   9  -1.170  -2.753   3.722
   71    HB2  GLU   9           1HB      GLU   9  -3.039  -4.254   4.293
   72    HB3  GLU   9           2HB      GLU   9  -2.818  -3.893   5.997
   73    HG2  GLU   9           1HG      GLU   9  -3.429  -1.714   4.042
   74    HG3  GLU   9           2HG      GLU   9  -4.711  -2.742   4.673
   75    H    GLU  10           H        GLU  10  -0.722  -3.463   7.128
   76    HA   GLU  10           HA       GLU  10  -0.678  -0.923   8.223
   77    HB2  GLU  10           1HB      GLU  10  -0.699  -2.850   9.618
   78    HB3  GLU  10           2HB      GLU  10   0.790  -3.462   8.915
   79    HG2  GLU  10           1HG      GLU  10   1.928  -1.425   9.888
   80    HG3  GLU  10           2HG      GLU  10   0.438  -1.149  10.792
   81    H    LYS  11           H        LYS  11   2.017  -2.795   6.836
   82    HA   LYS  11           HA       LYS  11   3.848  -0.684   7.545
   83    HB2  LYS  11           1HB      LYS  11   4.212  -3.427   6.397
   84    HB3  LYS  11           2HB      LYS  11   5.547  -2.276   6.475
   85    HG2  LYS  11           1HG      LYS  11   5.255  -2.068   8.878
   86    HG3  LYS  11           2HG      LYS  11   3.890  -3.179   8.826
   87    HD2  LYS  11           1HD      LYS  11   5.321  -4.997   8.182
   88    HD3  LYS  11           2HD      LYS  11   6.699  -3.908   7.994
   89    HE2  LYS  11           1HE      LYS  11   6.843  -5.119  10.096
   90    HE3  LYS  11           2HE      LYS  11   6.615  -3.395  10.385
   91    HZ1  LYS  11           3HZ      LYS  11   4.560  -5.530  10.601
   92    HZ2  LYS  11           1HZ      LYS  11   4.211  -3.870  10.711
   93    HZ3  LYS  11           2HZ      LYS  11   5.213  -4.601  11.863
   94    H    LEU  12           H        LEU  12   1.947  -1.349   4.828
   95    HA   LEU  12           HA       LEU  12   3.588   0.037   2.948
   96    HB2  LEU  12           1HB      LEU  12   0.761  -0.820   3.077
   97    HB3  LEU  12           2HB      LEU  12   1.091   0.573   2.065
   98    HG   LEU  12           HG       LEU  12   1.092  -1.539   0.797
   99   HD11  LEU  12          1HD1      LEU  12   3.255  -1.239  -0.328
  100   HD12  LEU  12          2HD1      LEU  12   3.760  -0.165   0.976
  101   HD13  LEU  12          3HD1      LEU  12   2.406   0.283  -0.062
  102   HD21  LEU  12          3HD2      LEU  12   2.773  -3.192   1.082
  103   HD22  LEU  12          1HD2      LEU  12   1.983  -2.945   2.640
  104   HD23  LEU  12          2HD2      LEU  12   3.573  -2.241   2.337
  105    H    LYS  13           H        LYS  13   1.102   0.981   5.276
  106    HA   LYS  13           HA       LYS  13   1.099   3.752   4.840
  107    HB2  LYS  13           1HB      LYS  13  -0.475   2.631   6.366
  108    HB3  LYS  13           2HB      LYS  13   0.851   2.235   7.450
  109    HG2  LYS  13           1HG      LYS  13   1.214   4.814   7.502
  110    HG3  LYS  13           2HG      LYS  13  -0.459   4.864   6.943
  111    HD2  LYS  13           1HD      LYS  13  -0.523   4.995   9.316
  112    HD3  LYS  13           2HD      LYS  13  -1.040   3.364   8.879
  113    HE2  LYS  13           1HE      LYS  13   0.489   3.207  10.738
  114    HE3  LYS  13           2HE      LYS  13   1.292   2.580   9.301
  115    HZ1  LYS  13           3HZ      LYS  13   2.891   3.908  10.220
  116    HZ2  LYS  13           1HZ      LYS  13   1.789   5.082  10.764
  117    HZ3  LYS  13           2HZ      LYS  13   2.173   4.985   9.121
  118    H    GLU  14           H        GLU  14   3.172   1.682   6.759
  119    HA   GLU  14           HA       GLU  14   4.805   3.608   7.950
  120    HB2  GLU  14           1HB      GLU  14   5.529   0.811   7.058
  121    HB3  GLU  14           2HB      GLU  14   6.433   1.782   8.210
  122    HG2  GLU  14           1HG      GLU  14   3.568   1.027   8.659
  123    HG3  GLU  14           2HG      GLU  14   4.908  -0.011   9.142
  124    H    PHE  15           H        PHE  15   5.026   2.021   4.793
  125    HA   PHE  15           HA       PHE  15   7.665   3.134   4.384
  126    HB2  PHE  15           1HB      PHE  15   6.757   0.775   3.704
  127    HB3  PHE  15           2HB      PHE  15   6.143   1.621   2.295
  128    HD1  PHE  15           HD1      PHE  15   9.320   2.051   4.166
  129    HD2  PHE  15           HD2      PHE  15   7.495   0.914   0.478
  130    HE1  PHE  15           HE1      PHE  15  11.537   1.817   3.136
  131    HE2  PHE  15           HE2      PHE  15   9.713   0.684  -0.540
  132    HZ   PHE  15           HZ       PHE  15  11.736   1.137   0.782
  133    H    VAL  16           H        VAL  16   4.406   3.645   3.173
  134    HA   VAL  16           HA       VAL  16   5.318   5.427   1.089
  135    HB   VAL  16           HB       VAL  16   2.504   4.887   2.049
  136   HG11  VAL  16          1HG1      VAL  16   3.499   6.267  -0.442
  137   HG12  VAL  16          2HG1      VAL  16   2.658   7.028   0.909
  138   HG13  VAL  16          3HG1      VAL  16   1.819   5.852  -0.104
  139   HG21  VAL  16          3HG2      VAL  16   4.028   3.770  -0.299
  140   HG22  VAL  16          1HG2      VAL  16   2.331   3.461   0.073
  141   HG23  VAL  16          2HG2      VAL  16   3.592   2.893   1.167
  142    H    LYS  17           H        LYS  17   3.194   5.893   3.921
  143    HA   LYS  17           HA       LYS  17   3.457   8.757   3.629
  144    HB2  LYS  17           1HB      LYS  17   1.304   8.337   4.240
  145    HB3  LYS  17           2HB      LYS  17   1.727   6.915   5.179
  146    HG2  LYS  17           1HG      LYS  17   2.081   8.101   7.082
  147    HG3  LYS  17           2HG      LYS  17   2.553   9.567   6.224
  148    HD2  LYS  17           1HD      LYS  17   0.361   9.779   7.365
  149    HD3  LYS  17           2HD      LYS  17   0.250  10.005   5.619
  150    HE2  LYS  17           1HE      LYS  17  -0.422   7.594   5.446
  151    HE3  LYS  17           2HE      LYS  17  -0.511   7.560   7.207
  152    HZ1  LYS  17           3HZ      LYS  17  -2.240   9.177   7.175
  153    HZ2  LYS  17           1HZ      LYS  17  -2.670   7.960   6.081
  154    HZ3  LYS  17           2HZ      LYS  17  -2.070   9.440   5.510
  155    H    ARG  18           H        ARG  18   4.425   6.306   5.979
  156    HA   ARG  18           HA       ARG  18   5.434   8.214   7.852
  157    HB2  ARG  18           1HB      ARG  18   4.521   5.886   8.332
  158    HB3  ARG  18           2HB      ARG  18   6.067   5.277   7.772
  159    HG2  ARG  18           1HG      ARG  18   7.229   6.246   9.538
  160    HG3  ARG  18           2HG      ARG  18   5.874   7.294   9.975
  161    HD2  ARG  18           1HD      ARG  18   4.569   5.282  10.587
  162    HD3  ARG  18           2HD      ARG  18   5.987   4.290  10.233
  163    HE   ARG  18           HE       ARG  18   6.772   6.247  12.054
  164   HH11  ARG  18          1HH1      ARG  18   4.664   3.456  11.932
  165   HH12  ARG  18          2HH1      ARG  18   4.763   3.150  13.644
  166   HH21  ARG  18          1HH2      ARG  18   6.929   5.837  14.293
  167   HH22  ARG  18          2HH2      ARG  18   6.035   4.513  14.988
  168    H    HIS  19           H        HIS  19   6.718   6.837   5.014
  169    HA   HIS  19           HA       HIS  19   9.449   7.612   5.790
  170    HB2  HIS  19           1HB      HIS  19   8.379   5.805   3.641
  171    HB3  HIS  19           2HB      HIS  19   9.957   6.554   3.451
  172    HD1  HIS  19           HD1      HIS  19   8.226   4.503   6.192
  173    HD2  HIS  19           HD2      HIS  19  11.900   4.964   4.306
  174    HE1  HIS  19           HE1      HIS  19   9.784   2.813   7.247
  175    H    GLN  20           H        GLN  20  10.370   8.114   3.142
  176    HA   GLN  20           HA       GLN  20   9.395  10.826   2.848
  177    HB2  GLN  20           1HB      GLN  20  11.577   9.346   1.371
  178    HB3  GLN  20           2HB      GLN  20  11.236  11.064   1.217
  179    HG2  GLN  20           1HG      GLN  20  12.148   9.648   3.714
  180    HG3  GLN  20           2HG      GLN  20  13.135  10.671   2.674
  181   HE21  GLN  20          1HE2      GLN  20  12.833  12.903   2.712
  182   HE22  GLN  20          2HE2      GLN  20  11.964  13.696   3.986
  183    H    ARG  21           H        ARG  21   7.807   8.413   2.062
  184    HA   ARG  21           HA       ARG  21   6.263   7.831   0.532
  185    HB2  ARG  21           1HB      ARG  21   5.801  10.229   0.284
  186    HB3  ARG  21           2HB      ARG  21   7.077  10.357  -0.918
  187    HG2  ARG  21           1HG      ARG  21   5.849   8.886  -2.411
  188    HG3  ARG  21           2HG      ARG  21   4.588   8.685  -1.195
  189    HD2  ARG  21           1HD      ARG  21   5.363  11.312  -2.456
  190    HD3  ARG  21           2HD      ARG  21   3.997  10.317  -2.957
  191    HE   ARG  21           HE       ARG  21   3.422  10.649  -0.389
  192   HH11  ARG  21          1HH1      ARG  21   4.600  13.002  -2.714
  193   HH12  ARG  21          2HH1      ARG  21   3.725  14.323  -2.002
  194   HH21  ARG  21          1HH2      ARG  21   2.285  12.400   0.551
  195   HH22  ARG  21          2HH2      ARG  21   2.419  13.987  -0.158
  196    H    ILE  22           H        ILE  22   6.113   6.620  -1.336
  197    HA   ILE  22           HA       ILE  22   8.612   6.331  -2.845
  198    HB   ILE  22           HB       ILE  22   8.446   4.471  -1.253
  199   HG12  ILE  22          1HG1      ILE  22   7.897   3.541  -4.074
  200   HG13  ILE  22          2HG1      ILE  22   9.449   4.160  -3.517
  201   HG21  ILE  22          1HG2      ILE  22   6.650   2.748  -1.626
  202   HG22  ILE  22          2HG2      ILE  22   5.793   3.961  -2.576
  203   HG23  ILE  22          3HG2      ILE  22   6.121   4.247  -0.868
  204   HD11  ILE  22          3HD1      ILE  22   9.409   1.726  -3.584
  205   HD12  ILE  22          1HD1      ILE  22   8.056   1.715  -2.453
  206   HD13  ILE  22          2HD1      ILE  22   9.629   2.328  -1.942
  207    H    THR  23           H        THR  23   8.404   5.881  -5.016
  208    HA   THR  23           HA       THR  23   6.086   6.888  -6.277
  209    HB   THR  23           HB       THR  23   7.224   6.133  -8.385
  210    HG1  THR  23           HG1      THR  23   9.624   5.585  -7.570
  211   HG21  THR  23          3HG2      THR  23   7.635   8.348  -7.448
  212   HG22  THR  23          1HG2      THR  23   9.110   7.696  -8.166
  213   HG23  THR  23          2HG2      THR  23   8.903   7.691  -6.414
  214    H    GLN  24           H        GLN  24   4.661   5.784  -7.731
  215    HA   GLN  24           HA       GLN  24   3.533   3.508  -6.516
  216    HB2  GLN  24           1HB      GLN  24   2.217   5.189  -7.740
  217    HB3  GLN  24           2HB      GLN  24   2.965   4.676  -9.246
  218    HG2  GLN  24           1HG      GLN  24   1.941   2.496  -9.060
  219    HG3  GLN  24           2HG      GLN  24   1.278   2.916  -7.481
  220   HE21  GLN  24          1HE2      GLN  24  -0.822   2.546  -8.154
  221   HE22  GLN  24          2HE2      GLN  24  -1.666   3.628  -9.208
  222    H    GLU  25           H        GLU  25   5.673   3.882  -9.277
  223    HA   GLU  25           HA       GLU  25   5.349   1.279 -10.323
  224    HB2  GLU  25           1HB      GLU  25   6.378   3.101 -11.600
  225    HB3  GLU  25           2HB      GLU  25   7.738   3.122 -10.485
  226    HG2  GLU  25           1HG      GLU  25   8.469   0.980 -11.205
  227    HG3  GLU  25           2HG      GLU  25   6.991   0.720 -12.129
  228    H    GLU  26           H        GLU  26   7.829   2.614  -8.126
  229    HA   GLU  26           HA       GLU  26   9.090   0.119  -7.627
  230    HB2  GLU  26           1HB      GLU  26   9.011   2.562  -5.846
  231    HB3  GLU  26           2HB      GLU  26  10.170   1.247  -5.750
  232    HG2  GLU  26           1HG      GLU  26   9.875   3.195  -8.021
  233    HG3  GLU  26           2HG      GLU  26  11.139   3.206  -6.794
  234    H    LEU  27           H        LEU  27   6.493   1.911  -6.119
  235    HA   LEU  27           HA       LEU  27   6.098   0.457  -3.782
  236    HB2  LEU  27           1HB      LEU  27   4.990   2.622  -4.587
  237    HB3  LEU  27           2HB      LEU  27   3.887   1.603  -5.481
  238    HG   LEU  27           HG       LEU  27   4.191   1.347  -2.494
  239   HD11  LEU  27          1HD1      LEU  27   2.207   2.804  -2.322
  240   HD12  LEU  27          2HD1      LEU  27   2.345   3.157  -4.043
  241   HD13  LEU  27          3HD1      LEU  27   3.623   3.653  -2.936
  242   HD21  LEU  27          3HD2      LEU  27   3.061  -0.489  -3.678
  243   HD22  LEU  27          1HD2      LEU  27   1.936   0.667  -4.388
  244   HD23  LEU  27          2HD2      LEU  27   1.945   0.404  -2.644
  245    H    HIS  28           H        HIS  28   4.781  -0.087  -7.040
  246    HA   HIS  28           HA       HIS  28   3.078  -2.214  -6.336
  247    HB2  HIS  28           1HB      HIS  28   3.163  -0.817  -8.521
  248    HB3  HIS  28           2HB      HIS  28   4.359  -1.999  -9.049
  249    HD1  HIS  28           HD1      HIS  28   3.259  -4.653  -8.414
  250    HD2  HIS  28           HD2      HIS  28   0.776  -1.502  -9.505
  251    HE1  HIS  28           HE1      HIS  28   1.084  -5.691  -9.158
  252    H    GLN  29           H        GLN  29   6.462  -2.133  -7.329
  253    HA   GLN  29           HA       GLN  29   6.791  -4.945  -7.548
  254    HB2  GLN  29           1HB      GLN  29   8.889  -2.878  -6.851
  255    HB3  GLN  29           2HB      GLN  29   9.183  -4.499  -7.465
  256    HG2  GLN  29           1HG      GLN  29   7.835  -2.248  -8.937
  257    HG3  GLN  29           2HG      GLN  29   9.470  -2.845  -9.209
  258   HE21  GLN  29          1HE2      GLN  29   8.652  -5.655  -8.869
  259   HE22  GLN  29          2HE2      GLN  29   7.805  -6.073 -10.327
  260    H    TYR  30           H        TYR  30   7.325  -2.629  -4.935
  261    HA   TYR  30           HA       TYR  30   8.250  -4.491  -3.019
  262    HB2  TYR  30           1HB      TYR  30   8.504  -1.984  -2.935
  263    HB3  TYR  30           2HB      TYR  30   6.803  -1.886  -2.502
  264    HD1  TYR  30           HD1      TYR  30   9.954  -3.549  -1.386
  265    HD2  TYR  30           HD2      TYR  30   6.245  -1.799  -0.254
  266    HE1  TYR  30           HE1      TYR  30  10.563  -3.800   0.981
  267    HE2  TYR  30           HE2      TYR  30   6.850  -2.037   2.118
  268    HH   TYR  30           HH       TYR  30  10.001  -2.796   3.141
  269    H    ALA  31           H        ALA  31   5.082  -3.455  -4.043
  270    HA   ALA  31           HA       ALA  31   3.508  -4.432  -1.950
  271    HB1  ALA  31           3HB      ALA  31   2.646  -2.982  -3.733
  272    HB2  ALA  31           1HB      ALA  31   1.676  -4.446  -3.578
  273    HB3  ALA  31           2HB      ALA  31   2.836  -4.293  -4.896
  274    H    GLN  32           H        GLN  32   4.495  -6.000  -4.977
  275    HA   GLN  32           HA       GLN  32   3.144  -8.438  -4.285
  276    HB2  GLN  32           1HB      GLN  32   5.073  -7.859  -6.536
  277    HB3  GLN  32           2HB      GLN  32   4.086  -9.307  -6.378
  278    HG2  GLN  32           1HG      GLN  32   2.062  -7.896  -6.479
  279    HG3  GLN  32           2HG      GLN  32   3.089  -6.492  -6.756
  280   HE21  GLN  32          1HE2      GLN  32   1.769  -9.384  -8.100
  281   HE22  GLN  32          2HE2      GLN  32   2.243  -9.077  -9.741
  282    H    ARG  33           H        ARG  33   6.156  -7.089  -3.574
  283    HA   ARG  33           HA       ARG  33   7.624  -9.484  -3.127
  284    HB2  ARG  33           1HB      ARG  33   8.804  -7.382  -3.319
  285    HB3  ARG  33           2HB      ARG  33   7.907  -6.705  -1.966
  286    HG2  ARG  33           1HG      ARG  33   8.968  -8.317  -0.460
  287    HG3  ARG  33           2HG      ARG  33   9.878  -8.981  -1.817
  288    HD2  ARG  33           1HD      ARG  33  10.037  -6.145  -0.800
  289    HD3  ARG  33           2HD      ARG  33  11.222  -7.414  -0.497
  290    HE   ARG  33           HE       ARG  33  10.839  -7.107  -3.279
  291   HH11  ARG  33          1HH1      ARG  33  12.353  -5.519  -0.529
  292   HH12  ARG  33          2HH1      ARG  33  13.537  -4.700  -1.514
  293   HH21  ARG  33          1HH2      ARG  33  12.360  -5.997  -4.554
  294   HH22  ARG  33          2HH2      ARG  33  13.532  -4.964  -3.786
  295    H    LEU  34           H        LEU  34   5.722  -7.355  -0.997
  296    HA   LEU  34           HA       LEU  34   6.156  -9.058   1.278
  297    HB2  LEU  34           1HB      LEU  34   4.374  -6.660   0.888
  298    HB3  LEU  34           2HB      LEU  34   4.607  -7.486   2.411
  299    HG   LEU  34           HG       LEU  34   6.706  -5.979   0.859
  300   HD11  LEU  34          1HD1      LEU  34   5.094  -4.565   2.030
  301   HD12  LEU  34          2HD1      LEU  34   6.686  -4.483   2.784
  302   HD13  LEU  34          3HD1      LEU  34   5.407  -5.443   3.528
  303   HD21  LEU  34          3HD2      LEU  34   7.692  -7.925   1.935
  304   HD22  LEU  34          1HD2      LEU  34   6.928  -7.485   3.463
  305   HD23  LEU  34          2HD2      LEU  34   8.172  -6.445   2.767
  306    H    GLY  35           H        GLY  35   3.741  -8.771  -1.188
  307    HA2  GLY  35           1HA      GLY  35   2.426 -10.866  -1.439
  308    HA3  GLY  35           2HA      GLY  35   2.129 -10.761   0.287
  309    H    LEU  36           H        LEU  36   2.003  -8.052  -1.989
  310    HA   LEU  36           HA       LEU  36  -0.822  -7.735  -1.324
  311    HB2  LEU  36           1HB      LEU  36   1.090  -5.933  -2.804
  312    HB3  LEU  36           2HB      LEU  36  -0.623  -5.606  -2.646
  313    HG   LEU  36           HG       LEU  36   1.396  -5.721  -0.415
  314   HD11  LEU  36          1HD1      LEU  36  -0.271  -3.487  -1.554
  315   HD12  LEU  36          2HD1      LEU  36   1.485  -3.652  -1.634
  316   HD13  LEU  36          3HD1      LEU  36   0.694  -3.374  -0.083
  317   HD21  LEU  36          3HD2      LEU  36  -0.452  -5.170   1.081
  318   HD22  LEU  36          1HD2      LEU  36  -0.710  -6.732   0.304
  319   HD23  LEU  36          2HD2      LEU  36  -1.587  -5.310  -0.261
  320    H    ASN  37           H        ASN  37  -2.071  -6.774  -3.201
  321    HA   ASN  37           HA       ASN  37  -1.560  -7.941  -5.781
  322    HB2  ASN  37           1HB      ASN  37  -3.702  -9.093  -5.968
  323    HB3  ASN  37           2HB      ASN  37  -2.793  -9.763  -4.625
  324   HD21  ASN  37          1HD2      ASN  37  -3.454  -7.507  -2.854
  325   HD22  ASN  37          2HD2      ASN  37  -5.097  -7.763  -2.382
  326    H    GLU  38           H        GLU  38  -2.983  -6.990  -7.383
  327    HA   GLU  38           HA       GLU  38  -2.971  -4.252  -7.133
  328    HB2  GLU  38           1HB      GLU  38  -4.681  -5.872  -9.022
  329    HB3  GLU  38           2HB      GLU  38  -4.228  -4.185  -9.226
  330    HG2  GLU  38           1HG      GLU  38  -2.716  -5.239 -10.594
  331    HG3  GLU  38           2HG      GLU  38  -1.795  -5.094  -9.094
  332    H    GLU  39           H        GLU  39  -5.543  -6.460  -6.290
  333    HA   GLU  39           HA       GLU  39  -7.691  -4.694  -6.055
  334    HB2  GLU  39           1HB      GLU  39  -7.812  -7.155  -5.875
  335    HB3  GLU  39           2HB      GLU  39  -7.003  -7.065  -4.317
  336    HG2  GLU  39           1HG      GLU  39  -9.330  -7.347  -3.927
  337    HG3  GLU  39           2HG      GLU  39  -8.907  -5.691  -3.493
  338    H    ALA  40           H        ALA  40  -5.370  -5.758  -3.585
  339    HA   ALA  40           HA       ALA  40  -6.234  -3.957  -1.575
  340    HB1  ALA  40           3HB      ALA  40  -4.985  -6.017  -1.073
  341    HB2  ALA  40           1HB      ALA  40  -4.207  -4.589  -0.389
  342    HB3  ALA  40           2HB      ALA  40  -3.559  -5.329  -1.851
  343    H    ILE  41           H        ILE  41  -3.950  -3.766  -4.192
  344    HA   ILE  41           HA       ILE  41  -2.534  -1.507  -3.264
  345    HB   ILE  41           HB       ILE  41  -2.880  -2.441  -6.119
  346   HG12  ILE  41          1HG1      ILE  41  -0.763  -3.099  -4.053
  347   HG13  ILE  41          2HG1      ILE  41  -1.989  -4.204  -4.671
  348   HG21  ILE  41          1HG2      ILE  41  -0.783  -1.244  -6.531
  349   HG22  ILE  41          2HG2      ILE  41  -0.782  -0.675  -4.861
  350   HG23  ILE  41          3HG2      ILE  41  -2.051  -0.153  -5.971
  351   HD11  ILE  41          3HD1      ILE  41   0.174  -4.618  -5.687
  352   HD12  ILE  41          1HD1      ILE  41   0.227  -2.958  -6.281
  353   HD13  ILE  41          2HD1      ILE  41  -0.998  -4.072  -6.886
  354    H    ARG  42           H        ARG  42  -5.319  -1.864  -5.467
  355    HA   ARG  42           HA       ARG  42  -5.680   0.902  -5.933
  356    HB2  ARG  42           1HB      ARG  42  -6.828  -0.656  -7.357
  357    HB3  ARG  42           2HB      ARG  42  -7.654  -1.385  -5.985
  358    HG2  ARG  42           1HG      ARG  42  -8.784   0.807  -5.604
  359    HG3  ARG  42           2HG      ARG  42  -8.054   1.369  -7.107
  360    HD2  ARG  42           1HD      ARG  42  -9.235  -0.290  -8.372
  361    HD3  ARG  42           2HD      ARG  42  -9.845  -1.041  -6.895
  362    HE   ARG  42           HE       ARG  42 -10.990   1.200  -6.535
  363   HH11  ARG  42          1HH1      ARG  42 -10.283  -0.084  -9.718
  364   HH12  ARG  42          2HH1      ARG  42 -11.631   0.709 -10.480
  365   HH21  ARG  42          1HH2      ARG  42 -12.775   2.226  -7.523
  366   HH22  ARG  42          2HH2      ARG  42 -13.059   2.012  -9.225
  367    H    GLN  43           H        GLN  43  -7.084  -1.320  -3.561
  368    HA   GLN  43           HA       GLN  43  -8.770   0.371  -2.184
  369    HB2  GLN  43           1HB      GLN  43  -8.583  -2.033  -1.702
  370    HB3  GLN  43           2HB      GLN  43  -6.971  -1.782  -1.046
  371    HG2  GLN  43           1HG      GLN  43  -8.030  -0.231   0.641
  372    HG3  GLN  43           2HG      GLN  43  -9.586  -0.848   0.090
  373   HE21  GLN  43          1HE2      GLN  43 -10.169  -2.954   0.573
  374   HE22  GLN  43          2HE2      GLN  43  -9.325  -3.896   1.759
  375    H    PHE  44           H        PHE  44  -5.307  -0.130  -1.731
  376    HA   PHE  44           HA       PHE  44  -5.054   1.501   0.547
  377    HB2  PHE  44           1HB      PHE  44  -3.469  -0.312  -0.348
  378    HB3  PHE  44           2HB      PHE  44  -2.827   0.951  -1.396
  379    HD1  PHE  44           HD1      PHE  44  -3.522   0.171   2.161
  380    HD2  PHE  44           HD2      PHE  44  -1.164   2.373  -0.615
  381    HE1  PHE  44           HE1      PHE  44  -2.086   0.936   4.000
  382    HE2  PHE  44           HE2      PHE  44   0.281   3.141   1.223
  383    HZ   PHE  44           HZ       PHE  44  -0.182   2.422   3.530
  384    H    PHE  45           H        PHE  45  -4.929   2.213  -2.888
  385    HA   PHE  45           HA       PHE  45  -3.845   4.852  -2.444
  386    HB2  PHE  45           1HB      PHE  45  -4.667   3.303  -4.860
  387    HB3  PHE  45           2HB      PHE  45  -4.538   5.054  -4.975
  388    HD1  PHE  45           HD1      PHE  45  -2.295   5.983  -3.817
  389    HD2  PHE  45           HD2      PHE  45  -2.826   2.108  -5.490
  390    HE1  PHE  45           HE1      PHE  45   0.134   5.802  -4.157
  391    HE2  PHE  45           HE2      PHE  45  -0.395   1.923  -5.832
  392    HZ   PHE  45           HZ       PHE  45   1.083   3.770  -5.168
  393    H    GLU  46           H        GLU  46  -6.964   3.589  -3.647
  394    HA   GLU  46           HA       GLU  46  -8.070   6.191  -3.929
  395    HB2  GLU  46           1HB      GLU  46 -10.018   5.133  -4.661
  396    HB3  GLU  46           2HB      GLU  46  -8.740   4.018  -5.104
  397    HG2  GLU  46           1HG      GLU  46  -9.255   2.683  -3.083
  398    HG3  GLU  46           2HG      GLU  46 -10.615   3.761  -2.774
  399    H    GLU  47           H        GLU  47  -8.066   3.810  -1.403
  400    HA   GLU  47           HA       GLU  47  -9.691   5.603   0.266
  401    HB2  GLU  47           1HB      GLU  47  -9.341   2.638   0.213
  402    HB3  GLU  47           2HB      GLU  47  -9.799   3.423   1.720
  403    HG2  GLU  47           1HG      GLU  47 -11.726   4.442   0.498
  404    HG3  GLU  47           2HG      GLU  47 -11.298   3.437  -0.887
  405    H    PHE  48           H        PHE  48  -6.816   5.982  -0.171
  406    HA   PHE  48           HA       PHE  48  -5.436   5.083   2.153
  407    HB2  PHE  48           1HB      PHE  48  -4.348   5.895   0.004
  408    HB3  PHE  48           2HB      PHE  48  -4.729   7.524   0.517
  409    HD1  PHE  48           HD1      PHE  48  -3.141   4.460   1.924
  410    HD2  PHE  48           HD2      PHE  48  -3.058   8.698   1.570
  411    HE1  PHE  48           HE1      PHE  48  -1.059   4.527   3.233
  412    HE2  PHE  48           HE2      PHE  48  -0.975   8.771   2.873
  413    HZ   PHE  48           HZ       PHE  48   0.026   6.681   3.707
  414    H    GLU  49           H        GLU  49  -5.979   8.522   1.427
  415    HA   GLU  49           HA       GLU  49  -7.616   8.872   3.776
  416    HB2  GLU  49           1HB      GLU  49  -6.194  10.536   4.824
  417    HB3  GLU  49           2HB      GLU  49  -5.316   9.022   4.671
  418    HG2  GLU  49           1HG      GLU  49  -4.097   9.872   2.770
  419    HG3  GLU  49           2HG      GLU  49  -5.028  11.372   2.802
  420    H    GLN  50           H        GLN  50  -7.350   9.311   0.708
  421    HA   GLN  50           HA       GLN  50  -8.050  12.165   0.618
  422    HB2  GLN  50           1HB      GLN  50  -7.294  10.387  -1.712
  423    HB3  GLN  50           2HB      GLN  50  -7.431  12.137  -1.712
  424    HG2  GLN  50           1HG      GLN  50  -5.135  11.692  -1.728
  425    HG3  GLN  50           2HG      GLN  50  -5.498  12.141  -0.059
  426   HE21  GLN  50          1HE2      GLN  50  -3.596  11.100   0.578
  427   HE22  GLN  50          2HE2      GLN  50  -3.519   9.381   0.712
  428    H    ARG  51           H        ARG  51  -9.535   9.649   1.294
  429    HA   ARG  51           HA       ARG  51 -11.258   8.712  -0.628
  430    HB2  ARG  51           1HB      ARG  51 -11.787   9.143   2.308
  431    HB3  ARG  51           2HB      ARG  51 -12.712   8.082   1.260
  432    HG2  ARG  51           1HG      ARG  51 -11.082   6.492   1.216
  433    HG3  ARG  51           2HG      ARG  51  -9.785   7.663   1.461
  434    HD2  ARG  51           1HD      ARG  51 -10.261   7.857   3.760
  435    HD3  ARG  51           2HD      ARG  51 -11.799   7.013   3.589
  436    HE   ARG  51           HE       ARG  51  -9.318   5.553   3.033
  437   HH11  ARG  51          1HH1      ARG  51 -12.084   6.147   5.078
  438   HH12  ARG  51          2HH1      ARG  51 -11.910   4.676   5.985
  439   HH21  ARG  51          1HH2      ARG  51  -9.030   3.623   4.244
  440   HH22  ARG  51          2HH2      ARG  51 -10.154   3.234   5.515
  441    H    LYS  52           H        LYS  52 -13.079   9.382  -1.573
  442    HA   LYS  52           HA       LYS  52 -14.578  11.594  -0.413
  443    HB2  LYS  52           1HB      LYS  52 -14.834  12.638  -2.675
  444    HB3  LYS  52           2HB      LYS  52 -13.219  12.756  -1.995
  445    HG2  LYS  52           1HG      LYS  52 -12.413  11.037  -3.452
  446    HG3  LYS  52           2HG      LYS  52 -14.046  10.698  -4.031
  447    HD2  LYS  52           1HD      LYS  52 -14.150  13.037  -4.891
  448    HD3  LYS  52           2HD      LYS  52 -12.452  13.223  -4.448
  449    HE2  LYS  52           1HE      LYS  52 -11.826  11.450  -5.967
  450    HE3  LYS  52           2HE      LYS  52 -13.520  11.141  -6.348
  451    HZ1  LYS  52           3HZ      LYS  52 -11.979  13.602  -6.975
  452    HZ2  LYS  52           1HZ      LYS  52 -13.646  13.424  -7.233
  453    HZ3  LYS  52           2HZ      LYS  52 -12.548  12.451  -8.079
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1 -12.182  -6.342   7.137
    2    H2   MET   1           2H       MET   1 -11.635  -4.868   6.501
    3    H3   MET   1           3H       MET   1 -12.439  -4.899   7.991
    4    HA   MET   1           HA       MET   1 -10.116  -4.632   8.380
    5    HB2  MET   1           1HB      MET   1 -11.049  -7.453   8.974
    6    HB3  MET   1           2HB      MET   1  -9.697  -6.654   9.760
    7    HG2  MET   1           1HG      MET   1 -12.581  -5.799   9.903
    8    HG3  MET   1           2HG      MET   1 -11.676  -6.635  11.164
    9    HE1  MET   1           3HE      MET   1  -9.719  -5.541  12.567
   10    HE2  MET   1           1HE      MET   1  -9.058  -3.936  12.242
   11    HE3  MET   1           2HE      MET   1  -8.845  -5.232  11.065
   12    H    LYS   2           H        LYS   2  -8.446  -6.988   8.650
   13    HA   LYS   2           HA       LYS   2  -6.837  -6.735   6.405
   14    HB2  LYS   2           1HB      LYS   2  -6.964  -9.214   8.113
   15    HB3  LYS   2           2HB      LYS   2  -5.571  -8.559   7.268
   16    HG2  LYS   2           1HG      LYS   2  -5.432  -6.717   8.791
   17    HG3  LYS   2           2HG      LYS   2  -6.949  -7.186   9.563
   18    HD2  LYS   2           1HD      LYS   2  -4.362  -8.741   9.564
   19    HD3  LYS   2           2HD      LYS   2  -5.092  -7.901  10.935
   20    HE2  LYS   2           1HE      LYS   2  -7.006  -9.408  10.854
   21    HE3  LYS   2           2HE      LYS   2  -6.315 -10.226   9.452
   22    HZ1  LYS   2           3HZ      LYS   2  -5.818 -11.527  11.341
   23    HZ2  LYS   2           1HZ      LYS   2  -5.257 -10.186  12.221
   24    HZ3  LYS   2           2HZ      LYS   2  -4.371 -10.761  10.895
   25    H    GLN   3           H        GLN   3  -7.051  -7.443   4.388
   26    HA   GLN   3           HA       GLN   3  -8.466  -9.979   3.888
   27    HB2  GLN   3           1HB      GLN   3  -8.777  -7.412   2.313
   28    HB3  GLN   3           2HB      GLN   3  -9.427  -8.968   1.820
   29    HG2  GLN   3           1HG      GLN   3 -10.149  -7.668   4.425
   30    HG3  GLN   3           2HG      GLN   3 -11.025  -7.356   2.928
   31   HE21  GLN   3          1HE2      GLN   3 -10.257  -9.732   5.367
   32   HE22  GLN   3          2HE2      GLN   3 -11.522 -10.842   4.955
   33    H    TRP   4           H        TRP   4  -5.589  -8.947   3.994
   34    HA   TRP   4           HA       TRP   4  -4.624 -10.198   1.587
   35    HB2  TRP   4           1HB      TRP   4  -3.068  -8.039   1.365
   36    HB3  TRP   4           2HB      TRP   4  -4.625  -8.117   0.548
   37    HD1  TRP   4           HD1      TRP   4  -2.967  -6.514   3.603
   38    HE1  TRP   4           HE1      TRP   4  -4.348  -4.476   4.338
   39    HE3  TRP   4           HE3      TRP   4  -6.874  -7.053   0.415
   40    HZ2  TRP   4           HZ2      TRP   4  -6.794  -3.259   3.638
   41    HZ3  TRP   4           HZ3      TRP   4  -8.712  -5.413   0.497
   42    HH2  TRP   4           HH2      TRP   4  -8.667  -3.555   2.076
   43    H    SER   5           H        SER   5  -1.940  -9.586   1.901
   44    HA   SER   5           HA       SER   5  -1.171 -10.912   4.226
   45    HB2  SER   5           1HB      SER   5   0.458  -8.836   2.734
   46    HB3  SER   5           2HB      SER   5   1.082 -10.082   3.808
   47    HG   SER   5           HG       SER   5   1.162 -10.522   1.476
   48    H    GLU   6           H        GLU   6  -1.862 -10.284   6.167
   49    HA   GLU   6           HA       GLU   6  -2.616  -7.925   7.206
   50    HB2  GLU   6           1HB      GLU   6  -2.647 -10.000   8.470
   51    HB3  GLU   6           2HB      GLU   6  -0.892  -9.990   8.577
   52    HG2  GLU   6           1HG      GLU   6  -1.062  -7.850   9.852
   53    HG3  GLU   6           2HG      GLU   6  -2.811  -8.076   9.875
   54    H    ASN   7           H        ASN   7   0.743  -9.013   7.007
   55    HA   ASN   7           HA       ASN   7   1.971  -6.886   8.306
   56    HB2  ASN   7           1HB      ASN   7   3.086  -9.016   7.671
   57    HB3  ASN   7           2HB      ASN   7   3.080  -8.483   5.993
   58   HD21  ASN   7          1HD2      ASN   7   5.296  -8.525   5.820
   59   HD22  ASN   7          2HD2      ASN   7   6.317  -7.373   6.603
   60    H    VAL   8           H        VAL   8   0.455  -6.965   5.203
   61    HA   VAL   8           HA       VAL   8   2.063  -4.897   4.027
   62    HB   VAL   8           HB       VAL   8  -0.556  -6.160   3.248
   63   HG11  VAL   8          1HG1      VAL   8   0.894  -3.992   1.736
   64   HG12  VAL   8          2HG1      VAL   8  -0.606  -3.767   2.637
   65   HG13  VAL   8          3HG1      VAL   8  -0.574  -4.833   1.231
   66   HG21  VAL   8          3HG2      VAL   8   0.748  -6.980   1.356
   67   HG22  VAL   8          1HG2      VAL   8   1.473  -7.462   2.889
   68   HG23  VAL   8          2HG2      VAL   8   2.172  -6.133   1.963
   69    H    GLU   9           H        GLU   9  -1.181  -5.035   5.466
   70    HA   GLU   9           HA       GLU   9  -1.971  -2.430   4.954
   71    HB2  GLU   9           1HB      GLU   9  -3.417  -4.252   5.863
   72    HB3  GLU   9           2HB      GLU   9  -2.632  -4.038   7.424
   73    HG2  GLU   9           1HG      GLU   9  -3.438  -1.717   7.491
   74    HG3  GLU   9           2HG      GLU   9  -4.267  -1.981   5.958
   75    H    GLU  10           H        GLU  10  -0.250  -3.721   7.765
   76    HA   GLU  10           HA       GLU  10   0.019  -1.236   9.093
   77    HB2  GLU  10           1HB      GLU  10   0.222  -3.168  10.430
   78    HB3  GLU  10           2HB      GLU  10   1.413  -3.888   9.356
   79    HG2  GLU  10           1HG      GLU  10   3.054  -2.231  10.026
   80    HG3  GLU  10           2HG      GLU  10   1.860  -1.455  11.072
   81    H    LYS  11           H        LYS  11   2.499  -3.197   7.404
   82    HA   LYS  11           HA       LYS  11   4.466  -1.215   7.874
   83    HB2  LYS  11           1HB      LYS  11   4.986  -3.601   7.726
   84    HB3  LYS  11           2HB      LYS  11   4.572  -3.587   6.015
   85    HG2  LYS  11           1HG      LYS  11   6.413  -2.162   5.504
   86    HG3  LYS  11           2HG      LYS  11   6.750  -1.893   7.215
   87    HD2  LYS  11           1HD      LYS  11   6.979  -4.527   5.757
   88    HD3  LYS  11           2HD      LYS  11   8.325  -3.488   6.227
   89    HE2  LYS  11           1HE      LYS  11   6.400  -4.906   8.066
   90    HE3  LYS  11           2HE      LYS  11   8.102  -5.291   7.814
   91    HZ1  LYS  11           3HZ      LYS  11   6.975  -2.869   9.109
   92    HZ2  LYS  11           1HZ      LYS  11   8.609  -3.014   8.674
   93    HZ3  LYS  11           2HZ      LYS  11   7.936  -4.067   9.817
   94    H    LEU  12           H        LEU  12   2.515  -2.010   5.023
   95    HA   LEU  12           HA       LEU  12   3.946  -0.334   3.243
   96    HB2  LEU  12           1HB      LEU  12   2.401  -2.055   2.446
   97    HB3  LEU  12           2HB      LEU  12   1.052  -1.189   3.155
   98    HG   LEU  12           HG       LEU  12   1.511   0.704   1.599
   99   HD11  LEU  12          1HD1      LEU  12   3.865   0.288   1.183
  100   HD12  LEU  12          2HD1      LEU  12   2.963   0.287  -0.334
  101   HD13  LEU  12          3HD1      LEU  12   3.476  -1.239   0.391
  102   HD21  LEU  12          3HD2      LEU  12   0.594  -0.393  -0.373
  103   HD22  LEU  12          1HD2      LEU  12  -0.192  -0.975   1.094
  104   HD23  LEU  12          2HD2      LEU  12   1.026  -1.967   0.292
  105    H    LYS  13           H        LYS  13   1.141   0.214   5.349
  106    HA   LYS  13           HA       LYS  13   0.621   2.859   4.620
  107    HB2  LYS  13           1HB      LYS  13  -0.804   1.446   6.111
  108    HB3  LYS  13           2HB      LYS  13   0.382   1.662   7.386
  109    HG2  LYS  13           1HG      LYS  13  -0.819   4.077   6.120
  110    HG3  LYS  13           2HG      LYS  13  -1.777   3.146   7.267
  111    HD2  LYS  13           1HD      LYS  13   0.948   4.330   7.811
  112    HD3  LYS  13           2HD      LYS  13  -0.590   5.004   8.351
  113    HE2  LYS  13           1HE      LYS  13   0.515   2.299   9.124
  114    HE3  LYS  13           2HE      LYS  13   0.522   3.737  10.143
  115    HZ1  LYS  13           3HZ      LYS  13  -1.880   2.281   9.159
  116    HZ2  LYS  13           1HZ      LYS  13  -1.927   3.728  10.051
  117    HZ3  LYS  13           2HZ      LYS  13  -1.299   2.315  10.750
  118    H    GLU  14           H        GLU  14   2.864   1.539   7.023
  119    HA   GLU  14           HA       GLU  14   3.817   4.087   7.868
  120    HB2  GLU  14           1HB      GLU  14   5.195   1.413   8.122
  121    HB3  GLU  14           2HB      GLU  14   5.520   2.860   9.068
  122    HG2  GLU  14           1HG      GLU  14   3.203   2.727   9.955
  123    HG3  GLU  14           2HG      GLU  14   3.018   1.185   9.114
  124    H    PHE  15           H        PHE  15   4.689   1.915   5.294
  125    HA   PHE  15           HA       PHE  15   7.260   3.079   4.832
  126    HB2  PHE  15           1HB      PHE  15   6.653   0.725   4.295
  127    HB3  PHE  15           2HB      PHE  15   5.586   1.324   3.034
  128    HD1  PHE  15           HD1      PHE  15   9.113   1.934   4.100
  129    HD2  PHE  15           HD2      PHE  15   6.425   1.063   0.922
  130    HE1  PHE  15           HE1      PHE  15  11.001   1.879   2.526
  131    HE2  PHE  15           HE2      PHE  15   8.309   1.006  -0.657
  132    HZ   PHE  15           HZ       PHE  15  10.599   1.413   0.143
  133    H    VAL  16           H        VAL  16   4.005   3.683   3.751
  134    HA   VAL  16           HA       VAL  16   4.923   5.539   1.704
  135    HB   VAL  16           HB       VAL  16   2.106   4.906   2.625
  136   HG11  VAL  16          1HG1      VAL  16   3.082   6.532   0.277
  137   HG12  VAL  16          2HG1      VAL  16   2.203   7.131   1.684
  138   HG13  VAL  16          3HG1      VAL  16   1.410   6.042   0.547
  139   HG21  VAL  16          3HG2      VAL  16   3.637   4.003   0.185
  140   HG22  VAL  16          1HG2      VAL  16   1.937   3.668   0.512
  141   HG23  VAL  16          2HG2      VAL  16   3.185   3.000   1.564
  142    H    LYS  17           H        LYS  17   3.358   5.619   4.884
  143    HA   LYS  17           HA       LYS  17   3.112   8.501   4.846
  144    HB2  LYS  17           1HB      LYS  17   2.605   6.495   7.045
  145    HB3  LYS  17           2HB      LYS  17   2.236   8.211   7.142
  146    HG2  LYS  17           1HG      LYS  17   1.066   6.391   5.064
  147    HG3  LYS  17           2HG      LYS  17   0.301   6.693   6.621
  148    HD2  LYS  17           1HD      LYS  17   0.980   8.773   4.537
  149    HD3  LYS  17           2HD      LYS  17  -0.630   8.143   4.885
  150    HE2  LYS  17           1HE      LYS  17  -0.462   9.034   7.174
  151    HE3  LYS  17           2HE      LYS  17   1.125   9.698   6.786
  152    HZ1  LYS  17           3HZ      LYS  17  -0.662  11.342   6.631
  153    HZ2  LYS  17           1HZ      LYS  17  -1.408  10.422   5.416
  154    HZ3  LYS  17           2HZ      LYS  17   0.118  11.116   5.143
  155    H    ARG  18           H        ARG  18   4.883   6.171   6.862
  156    HA   ARG  18           HA       ARG  18   6.303   8.389   8.131
  157    HB2  ARG  18           1HB      ARG  18   6.253   5.450   8.844
  158    HB3  ARG  18           2HB      ARG  18   6.939   6.744   9.818
  159    HG2  ARG  18           1HG      ARG  18   4.763   7.688  10.197
  160    HG3  ARG  18           2HG      ARG  18   4.028   6.542   9.074
  161    HD2  ARG  18           1HD      ARG  18   3.654   5.862  11.381
  162    HD3  ARG  18           2HD      ARG  18   4.665   4.694  10.530
  163    HE   ARG  18           HE       ARG  18   5.943   6.754  12.181
  164   HH11  ARG  18          1HH1      ARG  18   5.094   3.380  11.725
  165   HH12  ARG  18          2HH1      ARG  18   6.266   2.805  12.859
  166   HH21  ARG  18          1HH2      ARG  18   7.469   6.001  13.687
  167   HH22  ARG  18          2HH2      ARG  18   7.601   4.290  13.998
  168    H    HIS  19           H        HIS  19   6.875   7.184   5.385
  169    HA   HIS  19           HA       HIS  19   9.738   6.896   5.816
  170    HB2  HIS  19           1HB      HIS  19   7.974   4.862   4.524
  171    HB3  HIS  19           2HB      HIS  19   9.624   5.055   3.942
  172    HD1  HIS  19           HD1      HIS  19   7.641   3.712   6.805
  173    HD2  HIS  19           HD2      HIS  19  11.623   4.260   5.750
  174    HE1  HIS  19           HE1      HIS  19   9.000   2.332   8.430
  175    H    GLN  20           H        GLN  20   9.488   5.912   2.843
  176    HA   GLN  20           HA       GLN  20  10.556   8.333   1.841
  177    HB2  GLN  20           1HB      GLN  20   9.782   5.785   0.422
  178    HB3  GLN  20           2HB      GLN  20  10.742   7.082  -0.283
  179    HG2  GLN  20           1HG      GLN  20  11.526   5.523   2.170
  180    HG3  GLN  20           2HG      GLN  20  12.076   5.165   0.533
  181   HE21  GLN  20          1HE2      GLN  20  13.527   6.513  -0.452
  182   HE22  GLN  20          2HE2      GLN  20  14.438   7.702   0.410
  183    H    ARG  21           H        ARG  21   7.336   7.238   2.014
  184    HA   ARG  21           HA       ARG  21   5.406   7.648   0.879
  185    HB2  ARG  21           1HB      ARG  21   5.913   9.971   1.624
  186    HB3  ARG  21           2HB      ARG  21   6.783  10.239   0.122
  187    HG2  ARG  21           1HG      ARG  21   4.774  10.028  -1.157
  188    HG3  ARG  21           2HG      ARG  21   3.864   9.521   0.268
  189    HD2  ARG  21           1HD      ARG  21   5.194  12.205  -0.068
  190    HD3  ARG  21           2HD      ARG  21   3.482  11.888  -0.341
  191    HE   ARG  21           HE       ARG  21   3.741  11.021   2.158
  192   HH11  ARG  21          1HH1      ARG  21   4.920  13.951   0.662
  193   HH12  ARG  21          2HH1      ARG  21   4.874  14.875   2.134
  194   HH21  ARG  21          1HH2      ARG  21   3.632  12.226   4.080
  195   HH22  ARG  21          2HH2      ARG  21   4.132  13.891   4.088
  196    H    ILE  22           H        ILE  22   6.179   5.893  -0.411
  197    HA   ILE  22           HA       ILE  22   7.725   6.359  -2.765
  198    HB   ILE  22           HB       ILE  22   7.911   4.330  -1.311
  199   HG12  ILE  22          1HG1      ILE  22   7.288   3.622  -4.178
  200   HG13  ILE  22          2HG1      ILE  22   8.757   4.460  -3.681
  201   HG21  ILE  22          1HG2      ILE  22   5.781   3.617  -0.781
  202   HG22  ILE  22          2HG2      ILE  22   6.258   2.461  -2.022
  203   HG23  ILE  22          3HG2      ILE  22   5.195   3.806  -2.430
  204   HD11  ILE  22          3HD1      ILE  22   7.879   1.717  -2.823
  205   HD12  ILE  22          1HD1      ILE  22   9.311   2.559  -2.226
  206   HD13  ILE  22          2HD1      ILE  22   9.195   2.109  -3.931
  207    H    THR  23           H        THR  23   7.136   5.976  -4.916
  208    HA   THR  23           HA       THR  23   4.405   6.685  -5.534
  209    HB   THR  23           HB       THR  23   5.463   6.552  -7.943
  210    HG1  THR  23           HG1      THR  23   7.541   6.155  -7.938
  211   HG21  THR  23          3HG2      THR  23   6.271   8.661  -5.934
  212   HG22  THR  23          1HG2      THR  23   4.745   8.613  -6.817
  213   HG23  THR  23          2HG2      THR  23   6.261   8.854  -7.687
  214    H    GLN  24           H        GLN  24   3.325   5.565  -7.421
  215    HA   GLN  24           HA       GLN  24   2.600   3.025  -6.558
  216    HB2  GLN  24           1HB      GLN  24   1.166   4.505  -7.903
  217    HB3  GLN  24           2HB      GLN  24   2.190   4.219  -9.303
  218    HG2  GLN  24           1HG      GLN  24   1.635   1.792  -9.110
  219    HG3  GLN  24           2HG      GLN  24   0.469   2.222  -7.859
  220   HE21  GLN  24          1HE2      GLN  24   1.125   4.216 -10.647
  221   HE22  GLN  24          2HE2      GLN  24  -0.396   3.972 -11.427
  222    H    GLU  25           H        GLU  25   4.740   3.891  -9.261
  223    HA   GLU  25           HA       GLU  25   4.924   1.394 -10.465
  224    HB2  GLU  25           1HB      GLU  25   5.803   3.543 -11.376
  225    HB3  GLU  25           2HB      GLU  25   7.138   3.433 -10.237
  226    HG2  GLU  25           1HG      GLU  25   7.887   2.668 -12.366
  227    HG3  GLU  25           2HG      GLU  25   7.784   1.285 -11.276
  228    H    GLU  26           H        GLU  26   7.231   2.818  -8.166
  229    HA   GLU  26           HA       GLU  26   8.684   0.389  -7.849
  230    HB2  GLU  26           1HB      GLU  26   8.718   2.987  -6.309
  231    HB3  GLU  26           2HB      GLU  26   9.854   1.669  -6.045
  232    HG2  GLU  26           1HG      GLU  26  10.982   2.057  -7.979
  233    HG3  GLU  26           2HG      GLU  26   9.556   2.664  -8.817
  234    H    LEU  27           H        LEU  27   5.948   1.822  -6.307
  235    HA   LEU  27           HA       LEU  27   5.993   0.370  -3.882
  236    HB2  LEU  27           1HB      LEU  27   4.587   2.402  -4.399
  237    HB3  LEU  27           2HB      LEU  27   3.565   1.375  -5.375
  238    HG   LEU  27           HG       LEU  27   3.992   0.721  -2.475
  239   HD11  LEU  27          1HD1      LEU  27   1.995   2.685  -3.587
  240   HD12  LEU  27          2HD1      LEU  27   3.348   3.066  -2.522
  241   HD13  LEU  27          3HD1      LEU  27   2.020   2.064  -1.937
  242   HD21  LEU  27          3HD2      LEU  27   2.863  -0.924  -3.896
  243   HD22  LEU  27          1HD2      LEU  27   1.688   0.296  -4.386
  244   HD23  LEU  27          2HD2      LEU  27   1.752  -0.242  -2.708
  245    H    HIS  28           H        HIS  28   4.522  -0.262  -7.056
  246    HA   HIS  28           HA       HIS  28   3.154  -2.602  -6.283
  247    HB2  HIS  28           1HB      HIS  28   2.724  -1.261  -8.382
  248    HB3  HIS  28           2HB      HIS  28   4.162  -2.011  -9.069
  249    HD1  HIS  28           HD1      HIS  28   4.028  -4.772  -9.111
  250    HD2  HIS  28           HD2      HIS  28   0.461  -2.682  -8.727
  251    HE1  HIS  28           HE1      HIS  28   2.194  -6.427  -9.552
  252    H    GLN  29           H        GLN  29   6.393  -2.082  -7.575
  253    HA   GLN  29           HA       GLN  29   7.140  -4.767  -7.866
  254    HB2  GLN  29           1HB      GLN  29   8.515  -2.971  -8.727
  255    HB3  GLN  29           2HB      GLN  29   8.786  -2.349  -7.108
  256    HG2  GLN  29           1HG      GLN  29  10.758  -3.462  -7.699
  257    HG3  GLN  29           2HG      GLN  29   9.922  -4.535  -6.586
  258   HE21  GLN  29          1HE2      GLN  29   8.015  -5.429  -8.647
  259   HE22  GLN  29          2HE2      GLN  29   8.906  -6.501  -9.668
  260    H    TYR  30           H        TYR  30   7.230  -2.597  -5.091
  261    HA   TYR  30           HA       TYR  30   8.346  -4.523  -3.295
  262    HB2  TYR  30           1HB      TYR  30   8.552  -2.046  -3.018
  263    HB3  TYR  30           2HB      TYR  30   6.829  -1.974  -2.679
  264    HD1  TYR  30           HD1      TYR  30   9.735  -4.010  -1.485
  265    HD2  TYR  30           HD2      TYR  30   6.325  -1.685  -0.461
  266    HE1  TYR  30           HE1      TYR  30  10.201  -4.386   0.898
  267    HE2  TYR  30           HE2      TYR  30   6.784  -2.050   1.927
  268    HH   TYR  30           HH       TYR  30   9.721  -3.266   3.060
  269    H    ALA  31           H        ALA  31   5.253  -3.987  -4.608
  270    HA   ALA  31           HA       ALA  31   3.696  -4.876  -2.384
  271    HB1  ALA  31           3HB      ALA  31   2.741  -3.400  -4.078
  272    HB2  ALA  31           1HB      ALA  31   1.828  -4.905  -3.974
  273    HB3  ALA  31           2HB      ALA  31   2.959  -4.649  -5.302
  274    H    GLN  32           H        GLN  32   4.628  -6.324  -5.495
  275    HA   GLN  32           HA       GLN  32   3.506  -8.864  -5.017
  276    HB2  GLN  32           1HB      GLN  32   4.541  -9.495  -7.001
  277    HB3  GLN  32           2HB      GLN  32   4.499  -7.751  -7.158
  278    HG2  GLN  32           1HG      GLN  32   6.610  -8.226  -7.873
  279    HG3  GLN  32           2HG      GLN  32   6.877  -7.823  -6.180
  280   HE21  GLN  32          1HE2      GLN  32   8.807  -8.992  -6.141
  281   HE22  GLN  32          2HE2      GLN  32   8.824 -10.727  -6.128
  282    H    ARG  33           H        ARG  33   6.512  -7.394  -4.250
  283    HA   ARG  33           HA       ARG  33   7.948  -9.561  -3.231
  284    HB2  ARG  33           1HB      ARG  33   8.947  -7.401  -3.726
  285    HB3  ARG  33           2HB      ARG  33   8.000  -6.643  -2.457
  286    HG2  ARG  33           1HG      ARG  33   9.199  -7.857  -0.770
  287    HG3  ARG  33           2HG      ARG  33  10.083  -8.762  -2.006
  288    HD2  ARG  33           1HD      ARG  33  11.116  -6.738  -2.806
  289    HD3  ARG  33           2HD      ARG  33  10.153  -5.769  -1.691
  290    HE   ARG  33           HE       ARG  33  11.493  -7.510  -0.076
  291   HH11  ARG  33          1HH1      ARG  33  12.447  -5.211  -2.547
  292   HH12  ARG  33          2HH1      ARG  33  13.959  -4.817  -1.782
  293   HH21  ARG  33          1HH2      ARG  33  13.490  -7.031   0.911
  294   HH22  ARG  33          2HH2      ARG  33  14.569  -5.891   0.167
  295    H    LEU  34           H        LEU  34   5.464  -7.556  -1.720
  296    HA   LEU  34           HA       LEU  34   5.863  -8.831   0.866
  297    HB2  LEU  34           1HB      LEU  34   3.968  -6.694  -0.082
  298    HB3  LEU  34           2HB      LEU  34   3.965  -7.336   1.543
  299    HG   LEU  34           HG       LEU  34   6.204  -5.792   0.238
  300   HD11  LEU  34          1HD1      LEU  34   4.356  -5.103   2.522
  301   HD12  LEU  34          2HD1      LEU  34   4.270  -4.441   0.890
  302   HD13  LEU  34          3HD1      LEU  34   5.670  -4.101   1.907
  303   HD21  LEU  34          3HD2      LEU  34   7.301  -5.907   2.420
  304   HD22  LEU  34          1HD2      LEU  34   7.084  -7.515   1.730
  305   HD23  LEU  34          2HD2      LEU  34   6.014  -6.955   3.015
  306    H    GLY  35           H        GLY  35   4.455  -9.862  -1.839
  307    HA2  GLY  35           1HA      GLY  35   2.910 -11.543  -2.207
  308    HA3  GLY  35           2HA      GLY  35   2.638 -11.621  -0.476
  309    H    LEU  36           H        LEU  36   2.317  -8.772  -2.514
  310    HA   LEU  36           HA       LEU  36  -0.330  -8.393  -1.437
  311    HB2  LEU  36           1HB      LEU  36   1.683  -6.702  -2.723
  312    HB3  LEU  36           2HB      LEU  36   0.027  -6.329  -3.160
  313    HG   LEU  36           HG       LEU  36   1.113  -6.410  -0.347
  314   HD11  LEU  36          1HD1      LEU  36   1.907  -4.479  -1.601
  315   HD12  LEU  36          2HD1      LEU  36   0.713  -3.994  -0.399
  316   HD13  LEU  36          3HD1      LEU  36   0.257  -4.105  -2.099
  317   HD21  LEU  36          3HD2      LEU  36  -1.624  -5.797  -1.442
  318   HD22  LEU  36          1HD2      LEU  36  -1.110  -5.450   0.209
  319   HD23  LEU  36          2HD2      LEU  36  -1.173  -7.116  -0.360
  320    H    ASN  37           H        ASN  37  -2.153  -8.461  -2.408
  321    HA   ASN  37           HA       ASN  37  -2.393  -9.127  -5.228
  322    HB2  ASN  37           1HB      ASN  37  -4.913  -8.982  -4.521
  323    HB3  ASN  37           2HB      ASN  37  -3.948 -10.358  -3.985
  324   HD21  ASN  37          1HD2      ASN  37  -4.933  -7.097  -2.969
  325   HD22  ASN  37          2HD2      ASN  37  -5.075  -7.494  -1.290
  326    H    GLU  38           H        GLU  38  -3.694  -7.758  -6.636
  327    HA   GLU  38           HA       GLU  38  -2.888  -5.046  -6.401
  328    HB2  GLU  38           1HB      GLU  38  -3.376  -6.489  -8.507
  329    HB3  GLU  38           2HB      GLU  38  -5.039  -5.968  -8.278
  330    HG2  GLU  38           1HG      GLU  38  -4.346  -3.642  -8.443
  331    HG3  GLU  38           2HG      GLU  38  -2.668  -4.152  -8.647
  332    H    GLU  39           H        GLU  39  -5.582  -6.751  -5.240
  333    HA   GLU  39           HA       GLU  39  -7.635  -4.929  -5.129
  334    HB2  GLU  39           1HB      GLU  39  -8.413  -6.841  -4.251
  335    HB3  GLU  39           2HB      GLU  39  -6.813  -7.345  -3.738
  336    HG2  GLU  39           1HG      GLU  39  -7.031  -6.341  -1.634
  337    HG3  GLU  39           2HG      GLU  39  -8.388  -5.333  -2.165
  338    H    ALA  40           H        ALA  40  -4.976  -5.337  -2.820
  339    HA   ALA  40           HA       ALA  40  -5.856  -3.015  -1.324
  340    HB1  ALA  40           3HB      ALA  40  -4.019  -3.541   0.191
  341    HB2  ALA  40           1HB      ALA  40  -3.455  -4.790  -0.915
  342    HB3  ALA  40           2HB      ALA  40  -5.015  -4.967  -0.114
  343    H    ILE  41           H        ILE  41  -3.485  -3.905  -3.696
  344    HA   ILE  41           HA       ILE  41  -1.645  -1.848  -3.360
  345    HB   ILE  41           HB       ILE  41  -2.452  -3.166  -5.957
  346   HG12  ILE  41          1HG1      ILE  41  -0.231  -3.830  -4.006
  347   HG13  ILE  41          2HG1      ILE  41  -1.694  -4.779  -4.263
  348   HG21  ILE  41          1HG2      ILE  41   0.013  -1.583  -5.235
  349   HG22  ILE  41          2HG2      ILE  41  -1.253  -1.094  -6.359
  350   HG23  ILE  41          3HG2      ILE  41  -0.216  -2.468  -6.741
  351   HD11  ILE  41          3HD1      ILE  41  -0.997  -5.231  -6.555
  352   HD12  ILE  41          1HD1      ILE  41   0.217  -5.769  -5.395
  353   HD13  ILE  41          2HD1      ILE  41   0.464  -4.279  -6.304
  354    H    ARG  42           H        ARG  42  -4.401  -2.050  -5.577
  355    HA   ARG  42           HA       ARG  42  -4.249   0.656  -6.411
  356    HB2  ARG  42           1HB      ARG  42  -5.200  -0.993  -7.860
  357    HB3  ARG  42           2HB      ARG  42  -6.385  -1.404  -6.644
  358    HG2  ARG  42           1HG      ARG  42  -7.441   0.742  -6.881
  359    HG3  ARG  42           2HG      ARG  42  -6.231   1.223  -8.074
  360    HD2  ARG  42           1HD      ARG  42  -6.967  -0.581  -9.543
  361    HD3  ARG  42           2HD      ARG  42  -8.158  -1.082  -8.341
  362    HE   ARG  42           HE       ARG  42  -8.918   1.419  -8.711
  363   HH11  ARG  42          1HH1      ARG  42  -7.977  -1.007 -11.053
  364   HH12  ARG  42          2HH1      ARG  42  -8.946  -0.340 -12.336
  365   HH21  ARG  42          1HH2      ARG  42 -10.181   2.317 -10.388
  366   HH22  ARG  42          2HH2      ARG  42 -10.188   1.578 -11.964
  367    H    GLN  43           H        GLN  43  -5.886  -1.014  -3.848
  368    HA   GLN  43           HA       GLN  43  -7.968   0.789  -3.342
  369    HB2  GLN  43           1HB      GLN  43  -7.629  -1.571  -2.427
  370    HB3  GLN  43           2HB      GLN  43  -6.586  -0.827  -1.216
  371    HG2  GLN  43           1HG      GLN  43  -8.467   0.620  -0.533
  372    HG3  GLN  43           2HG      GLN  43  -9.501  -0.238  -1.675
  373   HE21  GLN  43          1HE2      GLN  43  -7.902  -0.335   1.381
  374   HE22  GLN  43          2HE2      GLN  43  -8.605  -1.820   1.931
  375    H    PHE  44           H        PHE  44  -4.674   0.636  -2.058
  376    HA   PHE  44           HA       PHE  44  -4.867   2.568  -0.070
  377    HB2  PHE  44           1HB      PHE  44  -2.742   1.236  -1.577
  378    HB3  PHE  44           2HB      PHE  44  -2.307   2.842  -1.021
  379    HD1  PHE  44           HD1      PHE  44  -3.471  -0.481   0.099
  380    HD2  PHE  44           HD2      PHE  44  -1.785   3.257   1.226
  381    HE1  PHE  44           HE1      PHE  44  -2.965  -1.386   2.333
  382    HE2  PHE  44           HE2      PHE  44  -1.277   2.364   3.461
  383    HZ   PHE  44           HZ       PHE  44  -1.863   0.041   4.019
  384    H    PHE  45           H        PHE  45  -4.395   2.917  -3.527
  385    HA   PHE  45           HA       PHE  45  -3.669   5.694  -3.340
  386    HB2  PHE  45           1HB      PHE  45  -4.268   3.911  -5.695
  387    HB3  PHE  45           2HB      PHE  45  -3.870   5.619  -5.857
  388    HD1  PHE  45           HD1      PHE  45  -1.644   6.435  -5.120
  389    HD2  PHE  45           HD2      PHE  45  -2.593   2.293  -5.305
  390    HE1  PHE  45           HE1      PHE  45   0.755   5.888  -5.046
  391    HE2  PHE  45           HE2      PHE  45  -0.199   1.737  -5.236
  392    HZ   PHE  45           HZ       PHE  45   1.479   3.535  -5.103
  393    H    GLU  46           H        GLU  46  -6.517   3.964  -4.656
  394    HA   GLU  46           HA       GLU  46  -7.845   6.404  -5.270
  395    HB2  GLU  46           1HB      GLU  46  -8.936   3.600  -5.079
  396    HB3  GLU  46           2HB      GLU  46  -9.816   4.979  -5.722
  397    HG2  GLU  46           1HG      GLU  46  -8.023   5.231  -7.432
  398    HG3  GLU  46           2HG      GLU  46  -7.323   3.724  -6.841
  399    H    GLU  47           H        GLU  47  -8.227   4.037  -2.654
  400    HA   GLU  47           HA       GLU  47 -10.222   5.770  -1.415
  401    HB2  GLU  47           1HB      GLU  47  -9.353   2.967  -0.712
  402    HB3  GLU  47           2HB      GLU  47 -10.631   3.865   0.098
  403    HG2  GLU  47           1HG      GLU  47 -11.764   4.044  -2.138
  404    HG3  GLU  47           2HG      GLU  47 -10.578   2.882  -2.729
  405    H    PHE  48           H        PHE  48  -7.649   6.748  -1.468
  406    HA   PHE  48           HA       PHE  48  -6.206   6.227   0.933
  407    HB2  PHE  48           1HB      PHE  48  -5.313   7.172  -1.272
  408    HB3  PHE  48           2HB      PHE  48  -6.005   8.711  -0.776
  409    HD1  PHE  48           HD1      PHE  48  -4.021   6.070   0.972
  410    HD2  PHE  48           HD2      PHE  48  -4.375  10.174  -0.100
  411    HE1  PHE  48           HE1      PHE  48  -1.968   6.570   2.228
  412    HE2  PHE  48           HE2      PHE  48  -2.321  10.680   1.157
  413    HZ   PHE  48           HZ       PHE  48  -1.115   8.878   2.322
  414    H    GLU  49           H        GLU  49  -5.626   8.352   2.270
  415    HA   GLU  49           HA       GLU  49  -7.936   8.904   3.812
  416    HB2  GLU  49           1HB      GLU  49  -6.446  10.217   5.198
  417    HB3  GLU  49           2HB      GLU  49  -5.664   8.710   4.740
  418    HG2  GLU  49           1HG      GLU  49  -4.420   9.904   2.984
  419    HG3  GLU  49           2HG      GLU  49  -5.181  11.412   3.492
  420    H    GLN  50           H        GLN  50  -7.302  10.150   0.919
  421    HA   GLN  50           HA       GLN  50  -7.790  12.946   1.535
  422    HB2  GLN  50           1HB      GLN  50  -7.413  11.525  -1.106
  423    HB3  GLN  50           2HB      GLN  50  -7.558  13.267  -0.907
  424    HG2  GLN  50           1HG      GLN  50  -5.390  11.570   0.320
  425    HG3  GLN  50           2HG      GLN  50  -5.229  12.502  -1.174
  426   HE21  GLN  50          1HE2      GLN  50  -6.861  14.707  -0.136
  427   HE22  GLN  50          2HE2      GLN  50  -5.848  15.550   0.988
  428    H    ARG  51           H        ARG  51  -9.631  10.253   1.288
  429    HA   ARG  51           HA       ARG  51 -11.935  11.559   0.067
  430    HB2  ARG  51           1HB      ARG  51 -11.511   8.794   1.207
  431    HB3  ARG  51           2HB      ARG  51 -13.076   9.369   0.653
  432    HG2  ARG  51           1HG      ARG  51 -12.103   9.728  -1.591
  433    HG3  ARG  51           2HG      ARG  51 -10.588   9.038  -1.006
  434    HD2  ARG  51           1HD      ARG  51 -11.636   6.930  -0.586
  435    HD3  ARG  51           2HD      ARG  51 -13.231   7.593  -0.937
  436    HE   ARG  51           HE       ARG  51 -11.420   7.851  -3.138
  437   HH11  ARG  51          1HH1      ARG  51 -13.533   5.611  -1.483
  438   HH12  ARG  51          2HH1      ARG  51 -13.867   4.673  -2.902
  439   HH21  ARG  51          1HH2      ARG  51 -11.844   6.631  -5.015
  440   HH22  ARG  51          2HH2      ARG  51 -12.893   5.241  -4.924
  441    H    LYS  52           H        LYS  52 -14.038  10.821   1.482
  442    HA   LYS  52           HA       LYS  52 -14.168  12.541   3.665
  443    HB2  LYS  52           1HB      LYS  52 -16.260  11.088   4.223
  444    HB3  LYS  52           2HB      LYS  52 -16.234  12.053   2.755
  445    HG2  LYS  52           1HG      LYS  52 -16.008  10.208   1.384
  446    HG3  LYS  52           2HG      LYS  52 -15.334   9.207   2.674
  447    HD2  LYS  52           1HD      LYS  52 -18.075  10.191   3.125
  448    HD3  LYS  52           2HD      LYS  52 -17.891   9.037   1.803
  449    HE2  LYS  52           1HE      LYS  52 -18.411   8.010   4.023
  450    HE3  LYS  52           2HE      LYS  52 -16.944   7.406   3.258
  451    HZ1  LYS  52           3HZ      LYS  52 -17.038   9.461   5.405
  452    HZ2  LYS  52           1HZ      LYS  52 -15.634   8.830   4.690
  453    HZ3  LYS  52           2HZ      LYS  52 -16.637   7.828   5.622
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1 -14.338  -9.538   3.974
    2    H2   MET   1           2H       MET   1 -13.034  -9.019   3.020
    3    H3   MET   1           3H       MET   1 -12.972  -8.848   4.703
    4    HA   MET   1           HA       MET   1 -12.983 -11.239   4.982
    5    HB2  MET   1           1HB      MET   1 -12.751 -11.291   1.961
    6    HB3  MET   1           2HB      MET   1 -12.686 -12.689   3.024
    7    HG2  MET   1           1HG      MET   1 -15.063 -10.893   2.593
    8    HG3  MET   1           2HG      MET   1 -14.838 -12.506   1.921
    9    HE1  MET   1           3HE      MET   1 -14.948 -14.733   3.316
   10    HE2  MET   1           1HE      MET   1 -15.011 -14.779   5.078
   11    HE3  MET   1           2HE      MET   1 -13.584 -14.139   4.262
   12    H    LYS   2           H        LYS   2 -11.173 -10.377   2.060
   13    HA   LYS   2           HA       LYS   2  -8.777  -9.804   3.595
   14    HB2  LYS   2           1HB      LYS   2  -7.413 -11.502   2.582
   15    HB3  LYS   2           2HB      LYS   2  -8.817 -12.312   3.261
   16    HG2  LYS   2           1HG      LYS   2  -9.834 -12.501   1.098
   17    HG3  LYS   2           2HG      LYS   2  -8.562 -11.523   0.368
   18    HD2  LYS   2           1HD      LYS   2  -6.924 -13.271   1.028
   19    HD3  LYS   2           2HD      LYS   2  -8.273 -14.261   1.589
   20    HE2  LYS   2           1HE      LYS   2  -7.641 -14.937  -0.646
   21    HE3  LYS   2           2HE      LYS   2  -9.238 -14.187  -0.675
   22    HZ1  LYS   2           3HZ      LYS   2  -6.684 -12.854  -1.429
   23    HZ2  LYS   2           1HZ      LYS   2  -8.217 -12.131  -1.459
   24    HZ3  LYS   2           2HZ      LYS   2  -7.862 -13.415  -2.508
   25    H    GLN   3           H        GLN   3  -7.000  -9.107   2.094
   26    HA   GLN   3           HA       GLN   3  -7.511  -8.678  -0.656
   27    HB2  GLN   3           1HB      GLN   3  -7.488  -6.155  -0.565
   28    HB3  GLN   3           2HB      GLN   3  -8.974  -6.915  -0.026
   29    HG2  GLN   3           1HG      GLN   3  -7.984  -6.688   2.333
   30    HG3  GLN   3           2HG      GLN   3  -6.880  -5.531   1.587
   31   HE21  GLN   3          1HE2      GLN   3  -7.693  -3.775   2.689
   32   HE22  GLN   3          2HE2      GLN   3  -9.256  -3.107   2.363
   33    H    TRP   4           H        TRP   4  -5.799  -7.214   2.080
   34    HA   TRP   4           HA       TRP   4  -3.302  -7.845   0.678
   35    HB2  TRP   4           1HB      TRP   4  -2.392  -6.115   2.449
   36    HB3  TRP   4           2HB      TRP   4  -3.119  -5.586   0.952
   37    HD1  TRP   4           HD1      TRP   4  -4.374  -3.465   1.390
   38    HE1  TRP   4           HE1      TRP   4  -6.030  -2.600   3.157
   39    HE3  TRP   4           HE3      TRP   4  -4.290  -7.451   4.516
   40    HZ2  TRP   4           HZ2      TRP   4  -7.149  -3.519   5.590
   41    HZ3  TRP   4           HZ3      TRP   4  -5.676  -7.403   6.557
   42    HH2  TRP   4           HH2      TRP   4  -7.076  -5.472   7.080
   43    H    SER   5           H        SER   5  -1.469  -8.062   2.456
   44    HA   SER   5           HA       SER   5  -2.416  -9.930   4.463
   45    HB2  SER   5           1HB      SER   5   0.394  -9.010   3.810
   46    HB3  SER   5           2HB      SER   5  -0.030 -10.317   4.918
   47    HG   SER   5           HG       SER   5  -1.271 -10.967   2.769
   48    H    GLU   6           H        GLU   6  -2.806  -9.337   6.508
   49    HA   GLU   6           HA       GLU   6  -3.193  -6.771   7.352
   50    HB2  GLU   6           1HB      GLU   6  -3.875  -8.953   8.481
   51    HB3  GLU   6           2HB      GLU   6  -2.285  -8.954   9.225
   52    HG2  GLU   6           1HG      GLU   6  -3.778  -8.046  10.809
   53    HG3  GLU   6           2HG      GLU   6  -2.838  -6.695  10.172
   54    H    ASN   7           H        ASN   7  -0.279  -8.713   7.895
   55    HA   ASN   7           HA       ASN   7   1.248  -6.909   9.371
   56    HB2  ASN   7           1HB      ASN   7   1.927  -9.213   9.065
   57    HB3  ASN   7           2HB      ASN   7   2.053  -8.974   7.326
   58   HD21  ASN   7          1HD2      ASN   7   4.167  -9.574   7.182
   59   HD22  ASN   7          2HD2      ASN   7   5.472  -8.624   7.820
   60    H    VAL   8           H        VAL   8   0.944  -7.311   5.878
   61    HA   VAL   8           HA       VAL   8   2.994  -5.530   5.138
   62    HB   VAL   8           HB       VAL   8   0.549  -6.331   3.547
   63   HG11  VAL   8          1HG1      VAL   8   1.999  -5.785   1.603
   64   HG12  VAL   8          2HG1      VAL   8   3.169  -5.090   2.723
   65   HG13  VAL   8          3HG1      VAL   8   1.555  -4.393   2.584
   66   HG21  VAL   8          3HG2      VAL   8   2.030  -8.014   2.542
   67   HG22  VAL   8          1HG2      VAL   8   1.836  -8.271   4.276
   68   HG23  VAL   8          2HG2      VAL   8   3.317  -7.541   3.653
   69    H    GLU   9           H        GLU   9  -0.508  -5.107   5.460
   70    HA   GLU   9           HA       GLU   9  -0.707  -2.535   4.412
   71    HB2  GLU   9           1HB      GLU   9  -2.545  -4.187   5.063
   72    HB3  GLU   9           2HB      GLU   9  -2.365  -3.581   6.702
   73    HG2  GLU   9           1HG      GLU   9  -2.817  -1.616   4.517
   74    HG3  GLU   9           2HG      GLU   9  -4.171  -2.611   5.039
   75    H    GLU  10           H        GLU  10  -0.220  -3.575   7.757
   76    HA   GLU  10           HA       GLU  10  -0.002  -1.133   9.032
   77    HB2  GLU  10           1HB      GLU  10  -0.018  -3.037  10.396
   78    HB3  GLU  10           2HB      GLU  10   1.266  -3.818   9.487
   79    HG2  GLU  10           1HG      GLU  10   2.866  -2.178  10.375
   80    HG3  GLU  10           2HG      GLU  10   1.570  -1.457  11.334
   81    H    LYS  11           H        LYS  11   2.623  -3.051   7.598
   82    HA   LYS  11           HA       LYS  11   4.604  -1.105   8.264
   83    HB2  LYS  11           1HB      LYS  11   5.030  -3.525   8.198
   84    HB3  LYS  11           2HB      LYS  11   4.780  -3.514   6.457
   85    HG2  LYS  11           1HG      LYS  11   6.711  -2.091   6.155
   86    HG3  LYS  11           2HG      LYS  11   6.933  -1.982   7.901
   87    HD2  LYS  11           1HD      LYS  11   7.093  -4.515   6.265
   88    HD3  LYS  11           2HD      LYS  11   8.472  -3.607   6.888
   89    HE2  LYS  11           1HE      LYS  11   7.569  -3.954   9.188
   90    HE3  LYS  11           2HE      LYS  11   6.337  -5.003   8.491
   91    HZ1  LYS  11           3HZ      LYS  11   9.262  -5.454   8.258
   92    HZ2  LYS  11           1HZ      LYS  11   8.036  -6.499   7.733
   93    HZ3  LYS  11           2HZ      LYS  11   8.255  -6.218   9.388
   94    H    LEU  12           H        LEU  12   2.729  -1.840   5.407
   95    HA   LEU  12           HA       LEU  12   4.238  -0.351   3.539
   96    HB2  LEU  12           1HB      LEU  12   2.412  -2.002   3.022
   97    HB3  LEU  12           2HB      LEU  12   1.252  -0.788   3.523
   98    HG   LEU  12           HG       LEU  12   2.196   0.710   1.726
   99   HD11  LEU  12          1HD1      LEU  12   3.437  -0.407  -0.088
  100   HD12  LEU  12          2HD1      LEU  12   3.554  -1.855   0.911
  101   HD13  LEU  12          3HD1      LEU  12   4.340  -0.364   1.426
  102   HD21  LEU  12          3HD2      LEU  12   0.092  -0.478   1.438
  103   HD22  LEU  12          1HD2      LEU  12   0.962  -1.904   0.874
  104   HD23  LEU  12          2HD2      LEU  12   0.990  -0.423  -0.081
  105    H    LYS  13           H        LYS  13   1.563   0.456   5.689
  106    HA   LYS  13           HA       LYS  13   1.235   3.130   4.907
  107    HB2  LYS  13           1HB      LYS  13  -0.375   1.892   6.300
  108    HB3  LYS  13           2HB      LYS  13   0.788   1.850   7.612
  109    HG2  LYS  13           1HG      LYS  13   0.042   4.512   6.559
  110    HG3  LYS  13           2HG      LYS  13  -1.180   3.630   7.474
  111    HD2  LYS  13           1HD      LYS  13   1.621   4.198   8.442
  112    HD3  LYS  13           2HD      LYS  13   0.197   5.150   8.868
  113    HE2  LYS  13           1HE      LYS  13   0.537   2.200   9.430
  114    HE3  LYS  13           2HE      LYS  13   0.807   3.486  10.606
  115    HZ1  LYS  13           3HZ      LYS  13  -1.530   4.138  10.321
  116    HZ2  LYS  13           1HZ      LYS  13  -1.378   2.549  10.890
  117    HZ3  LYS  13           2HZ      LYS  13  -1.768   2.829   9.268
  118    H    GLU  14           H        GLU  14   3.553   1.572   7.019
  119    HA   GLU  14           HA       GLU  14   4.581   4.023   8.085
  120    HB2  GLU  14           1HB      GLU  14   5.856   1.287   7.993
  121    HB3  GLU  14           2HB      GLU  14   6.386   2.641   8.983
  122    HG2  GLU  14           1HG      GLU  14   4.214   2.593  10.147
  123    HG3  GLU  14           2HG      GLU  14   3.771   1.172   9.202
  124    H    PHE  15           H        PHE  15   5.192   2.114   5.243
  125    HA   PHE  15           HA       PHE  15   7.720   3.452   4.730
  126    HB2  PHE  15           1HB      PHE  15   7.475   1.012   4.395
  127    HB3  PHE  15           2HB      PHE  15   6.274   1.324   3.152
  128    HD1  PHE  15           HD1      PHE  15   9.711   2.552   3.957
  129    HD2  PHE  15           HD2      PHE  15   7.048   0.995   1.024
  130    HE1  PHE  15           HE1      PHE  15  11.510   2.638   2.282
  131    HE2  PHE  15           HE2      PHE  15   8.841   1.077  -0.653
  132    HZ   PHE  15           HZ       PHE  15  11.078   1.899  -0.026
  133    H    VAL  16           H        VAL  16   4.405   3.596   3.703
  134    HA   VAL  16           HA       VAL  16   5.113   5.451   1.549
  135    HB   VAL  16           HB       VAL  16   2.381   4.435   2.370
  136   HG11  VAL  16          1HG1      VAL  16   2.265   6.606   1.277
  137   HG12  VAL  16          2HG1      VAL  16   1.638   5.345   0.214
  138   HG13  VAL  16          3HG1      VAL  16   3.253   6.005  -0.056
  139   HG21  VAL  16          3HG2      VAL  16   2.503   3.018   0.400
  140   HG22  VAL  16          1HG2      VAL  16   3.835   2.659   1.501
  141   HG23  VAL  16          2HG2      VAL  16   4.125   3.618   0.048
  142    H    LYS  17           H        LYS  17   2.742   5.424   4.203
  143    HA   LYS  17           HA       LYS  17   2.264   8.200   4.171
  144    HB2  LYS  17           1HB      LYS  17   0.612   6.734   5.072
  145    HB3  LYS  17           2HB      LYS  17   1.742   6.062   6.233
  146    HG2  LYS  17           1HG      LYS  17   0.516   7.429   7.573
  147    HG3  LYS  17           2HG      LYS  17   1.827   8.522   7.118
  148    HD2  LYS  17           1HD      LYS  17   0.411   9.462   5.341
  149    HD3  LYS  17           2HD      LYS  17  -0.902   8.389   5.830
  150    HE2  LYS  17           1HE      LYS  17  -0.722   9.479   8.131
  151    HE3  LYS  17           2HE      LYS  17   0.303  10.687   7.357
  152    HZ1  LYS  17           3HZ      LYS  17  -1.913  11.495   7.394
  153    HZ2  LYS  17           1HZ      LYS  17  -2.527  10.062   6.722
  154    HZ3  LYS  17           2HZ      LYS  17  -1.554  11.091   5.786
  155    H    ARG  18           H        ARG  18   4.342   6.195   6.240
  156    HA   ARG  18           HA       ARG  18   5.169   8.564   7.727
  157    HB2  ARG  18           1HB      ARG  18   5.843   5.650   8.133
  158    HB3  ARG  18           2HB      ARG  18   6.354   6.960   9.188
  159    HG2  ARG  18           1HG      ARG  18   3.956   7.467   9.612
  160    HG3  ARG  18           2HG      ARG  18   3.542   6.023   8.684
  161    HD2  ARG  18           1HD      ARG  18   3.556   5.552  11.076
  162    HD3  ARG  18           2HD      ARG  18   4.820   4.646  10.244
  163    HE   ARG  18           HE       ARG  18   5.703   7.164  11.324
  164   HH11  ARG  18          1HH1      ARG  18   5.219   3.754  12.037
  165   HH12  ARG  18          2HH1      ARG  18   6.385   3.746  13.320
  166   HH21  ARG  18          1HH2      ARG  18   7.221   7.126  13.009
  167   HH22  ARG  18          2HH2      ARG  18   7.512   5.647  13.876
  168    H    HIS  19           H        HIS  19   5.996   8.022   4.908
  169    HA   HIS  19           HA       HIS  19   8.864   8.443   5.349
  170    HB2  HIS  19           1HB      HIS  19   7.593   6.363   3.656
  171    HB3  HIS  19           2HB      HIS  19   8.954   7.219   2.943
  172    HD1  HIS  19           HD1      HIS  19   8.185   5.201   6.105
  173    HD2  HIS  19           HD2      HIS  19  11.352   6.243   3.621
  174    HE1  HIS  19           HE1      HIS  19  10.193   3.903   6.927
  175    H    GLN  20           H        GLN  20   9.560   8.801   2.676
  176    HA   GLN  20           HA       GLN  20   8.298  11.376   2.144
  177    HB2  GLN  20           1HB      GLN  20  10.665  10.045   0.803
  178    HB3  GLN  20           2HB      GLN  20  10.151  11.712   0.577
  179    HG2  GLN  20           1HG      GLN  20  10.704  12.256   2.841
  180    HG3  GLN  20           2HG      GLN  20  11.043  10.566   3.212
  181   HE21  GLN  20          1HE2      GLN  20  13.122  10.952   3.848
  182   HE22  GLN  20          2HE2      GLN  20  14.389  11.389   2.752
  183    H    ARG  21           H        ARG  21   7.111   8.648   1.663
  184    HA   ARG  21           HA       ARG  21   5.760   7.592   0.203
  185    HB2  ARG  21           1HB      ARG  21   6.002  10.249  -1.193
  186    HB3  ARG  21           2HB      ARG  21   5.153   8.921  -1.962
  187    HG2  ARG  21           1HG      ARG  21   3.564  10.337  -0.866
  188    HG3  ARG  21           2HG      ARG  21   3.641   8.799  -0.008
  189    HD2  ARG  21           1HD      ARG  21   5.024   9.786   1.712
  190    HD3  ARG  21           2HD      ARG  21   5.093  11.308   0.825
  191    HE   ARG  21           HE       ARG  21   2.427  10.884   1.199
  192   HH11  ARG  21          1HH1      ARG  21   5.188  10.969   3.355
  193   HH12  ARG  21          2HH1      ARG  21   4.299  11.643   4.687
  194   HH21  ARG  21          1HH2      ARG  21   1.252  11.801   2.952
  195   HH22  ARG  21          2HH2      ARG  21   2.075  12.145   4.446
  196    H    ILE  22           H        ILE  22   5.732   6.983  -2.358
  197    HA   ILE  22           HA       ILE  22   8.408   6.732  -3.407
  198    HB   ILE  22           HB       ILE  22   8.345   4.966  -1.701
  199   HG12  ILE  22          1HG1      ILE  22   8.220   3.770  -4.475
  200   HG13  ILE  22          2HG1      ILE  22   9.607   4.644  -3.833
  201   HG21  ILE  22          1HG2      ILE  22   5.972   4.548  -1.624
  202   HG22  ILE  22          2HG2      ILE  22   6.835   3.045  -1.958
  203   HG23  ILE  22          3HG2      ILE  22   6.006   3.895  -3.263
  204   HD11  ILE  22          3HD1      ILE  22   9.826   2.979  -2.063
  205   HD12  ILE  22          1HD1      ILE  22   9.937   2.254  -3.668
  206   HD13  ILE  22          2HD1      ILE  22   8.450   2.098  -2.730
  207    H    THR  23           H        THR  23   8.445   5.985  -5.568
  208    HA   THR  23           HA       THR  23   6.202   6.647  -7.128
  209    HB   THR  23           HB       THR  23   7.531   5.543  -8.996
  210    HG1  THR  23           HG1      THR  23   9.876   5.495  -7.709
  211   HG21  THR  23          3HG2      THR  23   8.981   7.609  -7.334
  212   HG22  THR  23          1HG2      THR  23   7.661   7.956  -8.451
  213   HG23  THR  23          2HG2      THR  23   9.186   7.315  -9.062
  214    H    GLN  24           H        GLN  24   4.967   5.306  -8.554
  215    HA   GLN  24           HA       GLN  24   3.794   3.109  -7.240
  216    HB2  GLN  24           1HB      GLN  24   2.559   4.496  -8.829
  217    HB3  GLN  24           2HB      GLN  24   3.593   3.943 -10.141
  218    HG2  GLN  24           1HG      GLN  24   2.768   1.666  -9.840
  219    HG3  GLN  24           2HG      GLN  24   1.735   2.214  -8.519
  220   HE21  GLN  24          1HE2      GLN  24  -0.090   3.438  -8.984
  221   HE22  GLN  24          2HE2      GLN  24  -0.764   3.505 -10.576
  222    H    GLU  25           H        GLU  25   6.294   3.324  -9.688
  223    HA   GLU  25           HA       GLU  25   6.327   0.683 -10.588
  224    HB2  GLU  25           1HB      GLU  25   7.633   2.520 -11.601
  225    HB3  GLU  25           2HB      GLU  25   8.694   2.525 -10.198
  226    HG2  GLU  25           1HG      GLU  25   9.324   0.192 -10.720
  227    HG3  GLU  25           2HG      GLU  25   8.335   0.281 -12.175
  228    H    GLU  26           H        GLU  26   8.354   2.135  -8.042
  229    HA   GLU  26           HA       GLU  26   9.340  -0.386  -7.157
  230    HB2  GLU  26           1HB      GLU  26   9.443   2.395  -6.022
  231    HB3  GLU  26           2HB      GLU  26  10.113   1.017  -5.161
  232    HG2  GLU  26           1HG      GLU  26  10.913   1.845  -7.939
  233    HG3  GLU  26           2HG      GLU  26  11.782   2.282  -6.467
  234    H    LEU  27           H        LEU  27   6.595   1.585  -6.358
  235    HA   LEU  27           HA       LEU  27   5.937   0.454  -3.871
  236    HB2  LEU  27           1HB      LEU  27   4.933   2.511  -5.015
  237    HB3  LEU  27           2HB      LEU  27   3.942   1.393  -5.926
  238    HG   LEU  27           HG       LEU  27   2.792   2.435  -3.967
  239   HD11  LEU  27          1HD1      LEU  27   2.016   0.300  -4.906
  240   HD12  LEU  27          2HD1      LEU  27   1.728   0.415  -3.169
  241   HD13  LEU  27          3HD1      LEU  27   3.065  -0.559  -3.779
  242   HD21  LEU  27          3HD2      LEU  27   3.329   1.651  -1.728
  243   HD22  LEU  27          1HD2      LEU  27   4.709   2.484  -2.444
  244   HD23  LEU  27          2HD2      LEU  27   4.688   0.722  -2.366
  245    H    HIS  28           H        HIS  28   4.806  -0.378  -7.161
  246    HA   HIS  28           HA       HIS  28   3.279  -2.599  -6.345
  247    HB2  HIS  28           1HB      HIS  28   2.978  -1.558  -8.556
  248    HB3  HIS  28           2HB      HIS  28   4.584  -2.104  -9.037
  249    HD1  HIS  28           HD1      HIS  28   4.887  -4.740  -9.303
  250    HD2  HIS  28           HD2      HIS  28   0.978  -3.417  -8.804
  251    HE1  HIS  28           HE1      HIS  28   3.404  -6.715  -9.782
  252    H    GLN  29           H        GLN  29   6.659  -2.273  -7.312
  253    HA   GLN  29           HA       GLN  29   7.314  -4.992  -7.411
  254    HB2  GLN  29           1HB      GLN  29   8.783  -3.127  -8.180
  255    HB3  GLN  29           2HB      GLN  29   9.097  -2.723  -6.498
  256    HG2  GLN  29           1HG      GLN  29  10.908  -4.024  -7.489
  257    HG3  GLN  29           2HG      GLN  29  10.144  -4.879  -6.148
  258   HE21  GLN  29          1HE2      GLN  29   8.917  -6.724  -6.569
  259   HE22  GLN  29          2HE2      GLN  29   8.982  -7.546  -8.090
  260    H    TYR  30           H        TYR  30   7.212  -2.701  -4.755
  261    HA   TYR  30           HA       TYR  30   8.097  -4.567  -2.767
  262    HB2  TYR  30           1HB      TYR  30   8.370  -2.050  -2.696
  263    HB3  TYR  30           2HB      TYR  30   6.648  -1.942  -2.363
  264    HD1  TYR  30           HD1      TYR  30   9.559  -3.904  -1.042
  265    HD2  TYR  30           HD2      TYR  30   6.128  -1.546  -0.160
  266    HE1  TYR  30           HE1      TYR  30  10.035  -4.118   1.361
  267    HE2  TYR  30           HE2      TYR  30   6.596  -1.756   2.245
  268    HH   TYR  30           HH       TYR  30   9.549  -2.911   3.461
  269    H    ALA  31           H        ALA  31   5.153  -4.002  -4.373
  270    HA   ALA  31           HA       ALA  31   3.423  -4.698  -2.165
  271    HB1  ALA  31           3HB      ALA  31   2.646  -3.125  -3.868
  272    HB2  ALA  31           1HB      ALA  31   1.615  -4.554  -3.814
  273    HB3  ALA  31           2HB      ALA  31   2.803  -4.372  -5.103
  274    H    GLN  32           H        GLN  32   4.329  -6.155  -5.273
  275    HA   GLN  32           HA       GLN  32   3.064  -8.644  -4.657
  276    HB2  GLN  32           1HB      GLN  32   3.460  -7.734  -6.964
  277    HB3  GLN  32           2HB      GLN  32   5.165  -8.111  -6.760
  278    HG2  GLN  32           1HG      GLN  32   4.055  -9.837  -8.026
  279    HG3  GLN  32           2HG      GLN  32   4.606 -10.471  -6.477
  280   HE21  GLN  32          1HE2      GLN  32   1.785  -8.447  -6.891
  281   HE22  GLN  32          2HE2      GLN  32   0.616  -9.655  -6.495
  282    H    ARG  33           H        ARG  33   5.988  -7.194  -3.788
  283    HA   ARG  33           HA       ARG  33   7.491  -9.591  -3.317
  284    HB2  ARG  33           1HB      ARG  33   8.595  -7.442  -3.745
  285    HB3  ARG  33           2HB      ARG  33   7.877  -6.772  -2.289
  286    HG2  ARG  33           1HG      ARG  33   9.211  -8.138  -0.892
  287    HG3  ARG  33           2HG      ARG  33   9.739  -9.130  -2.254
  288    HD2  ARG  33           1HD      ARG  33  10.353  -6.192  -1.928
  289    HD3  ARG  33           2HD      ARG  33  11.455  -7.499  -1.493
  290    HE   ARG  33           HE       ARG  33  10.938  -8.077  -4.052
  291   HH11  ARG  33          1HH1      ARG  33  11.796  -5.019  -2.539
  292   HH12  ARG  33          2HH1      ARG  33  12.612  -4.415  -3.954
  293   HH21  ARG  33          1HH2      ARG  33  12.049  -7.301  -5.878
  294   HH22  ARG  33          2HH2      ARG  33  12.787  -5.725  -5.840
  295    H    LEU  34           H        LEU  34   5.115  -7.755  -1.573
  296    HA   LEU  34           HA       LEU  34   5.784  -9.198   0.896
  297    HB2  LEU  34           1HB      LEU  34   4.068  -6.754   0.500
  298    HB3  LEU  34           2HB      LEU  34   4.345  -7.547   2.038
  299    HG   LEU  34           HG       LEU  34   6.392  -6.116   0.348
  300   HD11  LEU  34          1HD1      LEU  34   5.258  -5.540   3.079
  301   HD12  LEU  34          2HD1      LEU  34   4.909  -4.651   1.597
  302   HD13  LEU  34          3HD1      LEU  34   6.535  -4.624   2.280
  303   HD21  LEU  34          3HD2      LEU  34   7.395  -8.086   1.369
  304   HD22  LEU  34          1HD2      LEU  34   6.760  -7.609   2.942
  305   HD23  LEU  34          2HD2      LEU  34   7.976  -6.615   2.143
  306    H    GLY  35           H        GLY  35   3.323  -8.905  -1.536
  307    HA2  GLY  35           1HA      GLY  35   1.938 -10.963  -1.688
  308    HA3  GLY  35           2HA      GLY  35   1.686 -10.798   0.046
  309    H    LEU  36           H        LEU  36   1.581  -8.246  -2.416
  310    HA   LEU  36           HA       LEU  36  -1.198  -7.770  -1.591
  311    HB2  LEU  36           1HB      LEU  36   0.642  -5.845  -2.999
  312    HB3  LEU  36           2HB      LEU  36  -0.932  -5.499  -2.310
  313    HG   LEU  36           HG       LEU  36   1.548  -6.227  -0.752
  314   HD11  LEU  36          1HD1      LEU  36   1.597  -3.968  -1.714
  315   HD12  LEU  36          2HD1      LEU  36   1.457  -3.936   0.043
  316   HD13  LEU  36          3HD1      LEU  36   0.040  -3.623  -0.961
  317   HD21  LEU  36          3HD2      LEU  36  -1.196  -5.451   0.213
  318   HD22  LEU  36          1HD2      LEU  36   0.212  -5.773   1.223
  319   HD23  LEU  36          2HD2      LEU  36  -0.513  -7.075   0.277
  320    H    ASN  37           H        ASN  37  -2.788  -7.978  -2.998
  321    HA   ASN  37           HA       ASN  37  -2.144  -8.231  -5.840
  322    HB2  ASN  37           1HB      ASN  37  -4.578  -8.863  -6.083
  323    HB3  ASN  37           2HB      ASN  37  -3.605  -9.986  -5.149
  324   HD21  ASN  37          1HD2      ASN  37  -4.678  -6.960  -3.770
  325   HD22  ASN  37          2HD2      ASN  37  -5.833  -7.660  -2.686
  326    H    GLU  38           H        GLU  38  -3.639  -7.066  -7.355
  327    HA   GLU  38           HA       GLU  38  -3.202  -4.333  -6.986
  328    HB2  GLU  38           1HB      GLU  38  -5.019  -5.771  -8.916
  329    HB3  GLU  38           2HB      GLU  38  -4.615  -4.062  -9.022
  330    HG2  GLU  38           1HG      GLU  38  -2.365  -4.509  -9.497
  331    HG3  GLU  38           2HG      GLU  38  -2.506  -6.192  -8.996
  332    H    GLU  39           H        GLU  39  -5.974  -6.275  -6.177
  333    HA   GLU  39           HA       GLU  39  -7.964  -4.374  -5.895
  334    HB2  GLU  39           1HB      GLU  39  -8.515  -6.662  -5.584
  335    HB3  GLU  39           2HB      GLU  39  -7.300  -6.856  -4.326
  336    HG2  GLU  39           1HG      GLU  39  -8.594  -5.558  -2.787
  337    HG3  GLU  39           2HG      GLU  39  -9.754  -5.137  -4.049
  338    H    ALA  40           H        ALA  40  -5.603  -5.434  -3.481
  339    HA   ALA  40           HA       ALA  40  -6.391  -3.521  -1.526
  340    HB1  ALA  40           3HB      ALA  40  -4.397  -4.260  -0.306
  341    HB2  ALA  40           1HB      ALA  40  -3.865  -5.162  -1.724
  342    HB3  ALA  40           2HB      ALA  40  -5.347  -5.626  -0.890
  343    H    ILE  41           H        ILE  41  -4.035  -3.583  -4.108
  344    HA   ILE  41           HA       ILE  41  -2.482  -1.377  -3.275
  345    HB   ILE  41           HB       ILE  41  -2.995  -2.301  -6.113
  346   HG12  ILE  41          1HG1      ILE  41  -0.854  -3.129  -4.135
  347   HG13  ILE  41          2HG1      ILE  41  -2.196  -4.133  -4.682
  348   HG21  ILE  41          1HG2      ILE  41  -1.989  -0.086  -5.997
  349   HG22  ILE  41          2HG2      ILE  41  -0.819  -1.266  -6.592
  350   HG23  ILE  41          3HG2      ILE  41  -0.730  -0.699  -4.926
  351   HD11  ILE  41          3HD1      ILE  41   0.041  -3.088  -6.409
  352   HD12  ILE  41          1HD1      ILE  41  -1.294  -4.107  -6.947
  353   HD13  ILE  41          2HD1      ILE  41  -0.115  -4.733  -5.792
  354    H    ARG  42           H        ARG  42  -5.173  -1.611  -5.594
  355    HA   ARG  42           HA       ARG  42  -5.523   1.116  -6.108
  356    HB2  ARG  42           1HB      ARG  42  -6.645  -0.602  -7.411
  357    HB3  ARG  42           2HB      ARG  42  -7.550  -1.129  -6.002
  358    HG2  ARG  42           1HG      ARG  42  -8.435   1.321  -6.001
  359    HG3  ARG  42           2HG      ARG  42  -7.903   1.306  -7.683
  360    HD2  ARG  42           1HD      ARG  42 -10.214   0.673  -7.627
  361    HD3  ARG  42           2HD      ARG  42  -9.263  -0.757  -8.023
  362    HE   ARG  42           HE       ARG  42 -10.068  -0.300  -5.242
  363   HH11  ARG  42          1HH1      ARG  42 -10.388  -2.157  -8.196
  364   HH12  ARG  42          2HH1      ARG  42 -11.195  -3.488  -7.415
  365   HH21  ARG  42          1HH2      ARG  42 -11.114  -2.065  -4.213
  366   HH22  ARG  42          2HH2      ARG  42 -11.604  -3.431  -5.161
  367    H    GLN  43           H        GLN  43  -6.891  -0.957  -3.608
  368    HA   GLN  43           HA       GLN  43  -8.650   1.037  -2.587
  369    HB2  GLN  43           1HB      GLN  43  -8.569  -1.665  -2.494
  370    HB3  GLN  43           2HB      GLN  43  -7.992  -1.271  -0.881
  371    HG2  GLN  43           1HG      GLN  43  -9.978  -0.200  -0.300
  372    HG3  GLN  43           2HG      GLN  43 -10.477  -0.019  -1.981
  373   HE21  GLN  43          1HE2      GLN  43 -10.315  -2.139   0.748
  374   HE22  GLN  43          2HE2      GLN  43 -11.301  -3.402   0.092
  375    H    PHE  44           H        PHE  44  -5.347   0.397  -2.126
  376    HA   PHE  44           HA       PHE  44  -5.247   1.586   0.521
  377    HB2  PHE  44           1HB      PHE  44  -3.704  -0.286  -0.308
  378    HB3  PHE  44           2HB      PHE  44  -2.883   0.957  -1.244
  379    HD1  PHE  44           HD1      PHE  44  -3.643  -0.243   2.136
  380    HD2  PHE  44           HD2      PHE  44  -1.431   2.549  -0.193
  381    HE1  PHE  44           HE1      PHE  44  -2.275   0.304   4.105
  382    HE2  PHE  44           HE2      PHE  44  -0.060   3.106   1.775
  383    HZ   PHE  44           HZ       PHE  44  -0.483   1.981   3.927
  384    H    PHE  45           H        PHE  45  -4.549   2.450  -2.824
  385    HA   PHE  45           HA       PHE  45  -3.434   5.016  -2.093
  386    HB2  PHE  45           1HB      PHE  45  -4.065   3.702  -4.724
  387    HB3  PHE  45           2HB      PHE  45  -3.606   5.398  -4.634
  388    HD1  PHE  45           HD1      PHE  45  -1.484   5.565  -2.783
  389    HD2  PHE  45           HD2      PHE  45  -2.357   2.437  -5.530
  390    HE1  PHE  45           HE1      PHE  45   0.896   4.939  -2.817
  391    HE2  PHE  45           HE2      PHE  45   0.016   1.803  -5.569
  392    HZ   PHE  45           HZ       PHE  45   1.647   3.051  -4.209
  393    H    GLU  46           H        GLU  46  -6.228   4.083  -4.105
  394    HA   GLU  46           HA       GLU  46  -7.171   6.775  -4.127
  395    HB2  GLU  46           1HB      GLU  46  -8.429   4.227  -5.142
  396    HB3  GLU  46           2HB      GLU  46  -9.077   5.840  -5.424
  397    HG2  GLU  46           1HG      GLU  46  -6.947   6.444  -6.535
  398    HG3  GLU  46           2HG      GLU  46  -6.421   4.775  -6.348
  399    H    GLU  47           H        GLU  47  -8.063   3.864  -2.362
  400    HA   GLU  47           HA       GLU  47 -10.230   5.342  -1.074
  401    HB2  GLU  47           1HB      GLU  47  -9.472   2.428  -1.021
  402    HB3  GLU  47           2HB      GLU  47 -10.715   3.115   0.020
  403    HG2  GLU  47           1HG      GLU  47 -11.791   3.981  -2.112
  404    HG3  GLU  47           2HG      GLU  47 -10.702   2.891  -2.965
  405    H    PHE  48           H        PHE  48  -7.521   6.091  -0.575
  406    HA   PHE  48           HA       PHE  48  -6.900   5.179   2.102
  407    HB2  PHE  48           1HB      PHE  48  -5.240   5.932   0.234
  408    HB3  PHE  48           2HB      PHE  48  -5.657   7.562   0.745
  409    HD1  PHE  48           HD1      PHE  48  -4.855   4.359   2.493
  410    HD2  PHE  48           HD2      PHE  48  -4.031   8.511   2.057
  411    HE1  PHE  48           HE1      PHE  48  -3.163   4.204   4.271
  412    HE2  PHE  48           HE2      PHE  48  -2.336   8.365   3.836
  413    HZ   PHE  48           HZ       PHE  48  -1.900   6.207   4.947
  414    H    GLU  49           H        GLU  49  -6.196   7.469   3.439
  415    HA   GLU  49           HA       GLU  49  -8.732   8.419   4.316
  416    HB2  GLU  49           1HB      GLU  49  -7.478   9.693   5.944
  417    HB3  GLU  49           2HB      GLU  49  -6.774   8.085   5.804
  418    HG2  GLU  49           1HG      GLU  49  -4.998   8.961   4.394
  419    HG3  GLU  49           2HG      GLU  49  -5.705  10.574   4.483
  420    H    GLN  50           H        GLN  50  -6.840   9.320   1.725
  421    HA   GLN  50           HA       GLN  50  -7.396  12.173   1.927
  422    HB2  GLN  50           1HB      GLN  50  -5.905  10.668  -0.230
  423    HB3  GLN  50           2HB      GLN  50  -5.970  12.414  -0.027
  424    HG2  GLN  50           1HG      GLN  50  -4.721  10.456   1.884
  425    HG3  GLN  50           2HG      GLN  50  -3.862  11.508   0.762
  426   HE21  GLN  50          1HE2      GLN  50  -5.658  13.758   1.218
  427   HE22  GLN  50          2HE2      GLN  50  -5.272  14.376   2.788
  428    H    ARG  51           H        ARG  51  -9.068   9.535   0.873
  429    HA   ARG  51           HA       ARG  51 -10.045  10.463  -1.615
  430    HB2  ARG  51           1HB      ARG  51 -10.063   8.067  -0.639
  431    HB3  ARG  51           2HB      ARG  51 -11.534   8.577   0.187
  432    HG2  ARG  51           1HG      ARG  51 -12.558   9.124  -1.927
  433    HG3  ARG  51           2HG      ARG  51 -11.079   8.683  -2.771
  434    HD2  ARG  51           1HD      ARG  51 -11.368   6.379  -1.703
  435    HD3  ARG  51           2HD      ARG  51 -13.012   6.900  -1.324
  436    HE   ARG  51           HE       ARG  51 -12.292   7.288  -4.085
  437   HH11  ARG  51          1HH1      ARG  51 -13.613   5.003  -1.766
  438   HH12  ARG  51          2HH1      ARG  51 -14.353   4.009  -2.989
  439   HH21  ARG  51          1HH2      ARG  51 -13.279   5.993  -5.674
  440   HH22  ARG  51          2HH2      ARG  51 -14.178   4.578  -5.204
  441    H    LYS  52           H        LYS  52 -11.677  11.776  -2.077
  442    HA   LYS  52           HA       LYS  52 -13.312  13.322  -1.873
  443    HB2  LYS  52           1HB      LYS  52 -14.130  11.590   0.472
  444    HB3  LYS  52           2HB      LYS  52 -15.105  12.896  -0.186
  445    HG2  LYS  52           1HG      LYS  52 -15.302  11.734  -2.300
  446    HG3  LYS  52           2HG      LYS  52 -14.235  10.454  -1.722
  447    HD2  LYS  52           1HD      LYS  52 -16.896  11.169  -0.494
  448    HD3  LYS  52           2HD      LYS  52 -16.634   9.844  -1.631
  449    HE2  LYS  52           1HE      LYS  52 -15.016   8.856  -0.044
  450    HE3  LYS  52           2HE      LYS  52 -15.389  10.146   1.100
  451    HZ1  LYS  52           3HZ      LYS  52 -17.666   9.390   1.184
  452    HZ2  LYS  52           1HZ      LYS  52 -16.623   8.114   1.576
  453    HZ3  LYS  52           2HZ      LYS  52 -17.347   8.176   0.044
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1 -14.373  -7.181   4.128
    2    H2   MET   1           2H       MET   1 -13.394  -8.115   3.109
    3    H3   MET   1           3H       MET   1 -12.972  -6.506   3.456
    4    HA   MET   1           HA       MET   1 -12.475  -6.973   5.674
    5    HB2  MET   1           1HB      MET   1 -12.802  -9.212   6.667
    6    HB3  MET   1           2HB      MET   1 -14.330  -8.531   6.116
    7    HG2  MET   1           1HG      MET   1 -14.230  -9.923   4.117
    8    HG3  MET   1           2HG      MET   1 -12.696 -10.599   4.658
    9    HE1  MET   1           3HE      MET   1 -16.548 -10.363   5.281
   10    HE2  MET   1           1HE      MET   1 -15.911  -9.718   6.793
   11    HE3  MET   1           2HE      MET   1 -16.744 -11.272   6.778
   12    H    LYS   2           H        LYS   2 -11.801  -8.754   2.742
   13    HA   LYS   2           HA       LYS   2  -9.044  -9.120   3.708
   14    HB2  LYS   2           1HB      LYS   2 -10.433 -11.122   1.929
   15    HB3  LYS   2           2HB      LYS   2  -8.882 -11.295   2.737
   16    HG2  LYS   2           1HG      LYS   2 -10.071 -11.265   4.914
   17    HG3  LYS   2           2HG      LYS   2 -11.600 -11.247   4.034
   18    HD2  LYS   2           1HD      LYS   2 -11.275 -13.500   4.538
   19    HD3  LYS   2           2HD      LYS   2 -10.719 -13.357   2.869
   20    HE2  LYS   2           1HE      LYS   2  -9.162 -14.698   4.154
   21    HE3  LYS   2           2HE      LYS   2  -8.404 -13.181   3.672
   22    HZ1  LYS   2           3HZ      LYS   2  -9.615 -13.677   6.339
   23    HZ2  LYS   2           1HZ      LYS   2  -8.736 -12.306   5.867
   24    HZ3  LYS   2           2HZ      LYS   2  -7.963 -13.812   6.004
   25    H    GLN   3           H        GLN   3  -7.778  -7.879   2.509
   26    HA   GLN   3           HA       GLN   3  -8.142  -7.923  -0.413
   27    HB2  GLN   3           1HB      GLN   3  -7.616  -5.509   1.317
   28    HB3  GLN   3           2HB      GLN   3  -7.191  -5.536  -0.385
   29    HG2  GLN   3           1HG      GLN   3  -9.235  -4.481  -0.375
   30    HG3  GLN   3           2HG      GLN   3  -9.657  -6.143  -0.775
   31   HE21  GLN   3          1HE2      GLN   3 -11.767  -5.784  -0.069
   32   HE22  GLN   3          2HE2      GLN   3 -12.166  -5.684   1.617
   33    H    TRP   4           H        TRP   4  -5.923  -6.661   2.017
   34    HA   TRP   4           HA       TRP   4  -3.656  -7.790   0.539
   35    HB2  TRP   4           1HB      TRP   4  -2.530  -6.179   2.417
   36    HB3  TRP   4           2HB      TRP   4  -2.985  -5.633   0.809
   37    HD1  TRP   4           HD1      TRP   4  -4.427  -3.506   0.798
   38    HE1  TRP   4           HE1      TRP   4  -5.970  -2.312   2.474
   39    HE3  TRP   4           HE3      TRP   4  -4.279  -6.907   4.620
   40    HZ2  TRP   4           HZ2      TRP   4  -7.009  -2.763   5.051
   41    HZ3  TRP   4           HZ3      TRP   4  -5.588  -6.450   6.645
   42    HH2  TRP   4           HH2      TRP   4  -6.925  -4.418   6.857
   43    H    SER   5           H        SER   5  -1.755  -8.187   2.254
   44    HA   SER   5           HA       SER   5  -2.675 -10.092   4.177
   45    HB2  SER   5           1HB      SER   5   0.064  -8.851   3.835
   46    HB3  SER   5           2HB      SER   5  -0.313 -10.243   4.849
   47    HG   SER   5           HG       SER   5  -0.843 -11.417   3.032
   48    H    GLU   6           H        GLU   6  -3.269  -9.714   6.200
   49    HA   GLU   6           HA       GLU   6  -4.079  -7.442   7.310
   50    HB2  GLU   6           1HB      GLU   6  -4.241  -9.759   8.255
   51    HB3  GLU   6           2HB      GLU   6  -2.632  -9.534   8.923
   52    HG2  GLU   6           1HG      GLU   6  -3.470  -7.613  10.214
   53    HG3  GLU   6           2HG      GLU   6  -5.089  -7.936   9.590
   54    H    ASN   7           H        ASN   7  -0.735  -8.627   7.829
   55    HA   ASN   7           HA       ASN   7  -0.064  -6.299   9.397
   56    HB2  ASN   7           1HB      ASN   7   1.442  -8.719   8.490
   57    HB3  ASN   7           2HB      ASN   7   2.298  -7.360   9.210
   58   HD21  ASN   7          1HD2      ASN   7   1.951  -6.851  11.369
   59   HD22  ASN   7          2HD2      ASN   7   1.216  -7.974  12.475
   60    H    VAL   8           H        VAL   8  -0.040  -7.014   6.089
   61    HA   VAL   8           HA       VAL   8   2.179  -5.378   5.352
   62    HB   VAL   8           HB       VAL   8  -0.135  -6.473   3.760
   63   HG11  VAL   8          1HG1      VAL   8   0.509  -4.388   2.718
   64   HG12  VAL   8          2HG1      VAL   8   1.083  -5.741   1.747
   65   HG13  VAL   8          3HG1      VAL   8   2.209  -4.852   2.773
   66   HG21  VAL   8          3HG2      VAL   8   2.810  -7.128   3.813
   67   HG22  VAL   8          1HG2      VAL   8   1.600  -7.895   2.783
   68   HG23  VAL   8          2HG2      VAL   8   1.517  -8.088   4.535
   69    H    GLU   9           H        GLU   9  -1.275  -4.864   5.733
   70    HA   GLU   9           HA       GLU   9  -1.693  -2.332   4.795
   71    HB2  GLU   9           1HB      GLU   9  -3.524  -3.428   5.778
   72    HB3  GLU   9           2HB      GLU   9  -2.646  -3.761   7.261
   73    HG2  GLU   9           1HG      GLU   9  -4.335  -2.123   7.693
   74    HG3  GLU   9           2HG      GLU   9  -2.754  -1.362   7.829
   75    H    GLU  10           H        GLU  10  -0.335  -3.172   7.957
   76    HA   GLU  10           HA       GLU  10   0.162  -0.527   8.780
   77    HB2  GLU  10           1HB      GLU  10   0.026  -2.203  10.451
   78    HB3  GLU  10           2HB      GLU  10   1.256  -3.193   9.673
   79    HG2  GLU  10           1HG      GLU  10   2.929  -1.469  10.177
   80    HG3  GLU  10           2HG      GLU  10   1.690  -0.520  10.997
   81    H    LYS  11           H        LYS  11   2.422  -3.016   7.566
   82    HA   LYS  11           HA       LYS  11   4.677  -1.335   7.780
   83    HB2  LYS  11           1HB      LYS  11   4.845  -3.770   7.822
   84    HB3  LYS  11           2HB      LYS  11   4.312  -3.850   6.149
   85    HG2  LYS  11           1HG      LYS  11   6.310  -2.788   5.389
   86    HG3  LYS  11           2HG      LYS  11   6.810  -2.430   7.041
   87    HD2  LYS  11           1HD      LYS  11   6.378  -5.258   6.132
   88    HD3  LYS  11           2HD      LYS  11   7.897  -4.426   5.813
   89    HE2  LYS  11           1HE      LYS  11   8.193  -5.660   7.818
   90    HE3  LYS  11           2HE      LYS  11   8.055  -3.966   8.275
   91    HZ1  LYS  11           3HZ      LYS  11   6.791  -5.504   9.713
   92    HZ2  LYS  11           1HZ      LYS  11   5.815  -5.914   8.391
   93    HZ3  LYS  11           2HZ      LYS  11   5.813  -4.325   8.992
   94    H    LEU  12           H        LEU  12   2.389  -1.864   5.187
   95    HA   LEU  12           HA       LEU  12   3.908  -0.747   3.090
   96    HB2  LEU  12           1HB      LEU  12   1.727  -2.020   2.902
   97    HB3  LEU  12           2HB      LEU  12   0.917  -0.550   3.398
   98    HG   LEU  12           HG       LEU  12   1.908   0.592   1.410
   99   HD11  LEU  12          1HD1      LEU  12   2.804  -0.803  -0.386
  100   HD12  LEU  12          2HD1      LEU  12   2.718  -2.214   0.666
  101   HD13  LEU  12          3HD1      LEU  12   3.811  -0.887   1.060
  102   HD21  LEU  12          3HD2      LEU  12   0.398  -0.510  -0.218
  103   HD22  LEU  12          1HD2      LEU  12  -0.367  -0.179   1.335
  104   HD23  LEU  12          2HD2      LEU  12   0.159  -1.815   0.944
  105    H    LYS  13           H        LYS  13   1.504   0.684   5.270
  106    HA   LYS  13           HA       LYS  13   1.676   3.329   4.408
  107    HB2  LYS  13           1HB      LYS  13  -0.058   2.591   5.919
  108    HB3  LYS  13           2HB      LYS  13   1.134   2.183   7.143
  109    HG2  LYS  13           1HG      LYS  13   1.666   4.512   7.466
  110    HG3  LYS  13           2HG      LYS  13   0.583   4.977   6.151
  111    HD2  LYS  13           1HD      LYS  13  -0.499   5.323   8.304
  112    HD3  LYS  13           2HD      LYS  13  -1.315   4.041   7.407
  113    HE2  LYS  13           1HE      LYS  13   0.082   2.394   8.709
  114    HE3  LYS  13           2HE      LYS  13   0.607   3.747   9.711
  115    HZ1  LYS  13           3HZ      LYS  13  -1.721   4.140  10.300
  116    HZ2  LYS  13           1HZ      LYS  13  -1.236   2.567  10.724
  117    HZ3  LYS  13           2HZ      LYS  13  -2.194   2.813   9.350
  118    H    GLU  14           H        GLU  14   3.657   1.517   6.662
  119    HA   GLU  14           HA       GLU  14   5.193   3.668   7.621
  120    HB2  GLU  14           1HB      GLU  14   6.009   0.775   7.343
  121    HB3  GLU  14           2HB      GLU  14   6.798   1.978   8.353
  122    HG2  GLU  14           1HG      GLU  14   4.662   2.212   9.613
  123    HG3  GLU  14           2HG      GLU  14   4.028   0.858   8.678
  124    H    PHE  15           H        PHE  15   5.673   1.491   4.847
  125    HA   PHE  15           HA       PHE  15   8.227   2.709   4.278
  126    HB2  PHE  15           1HB      PHE  15   7.777   0.283   3.975
  127    HB3  PHE  15           2HB      PHE  15   6.662   0.682   2.678
  128    HD1  PHE  15           HD1      PHE  15  10.201   1.021   3.733
  129    HD2  PHE  15           HD2      PHE  15   7.453   0.894   0.485
  130    HE1  PHE  15           HE1      PHE  15  12.083   0.957   2.152
  131    HE2  PHE  15           HE2      PHE  15   9.332   0.825  -1.102
  132    HZ   PHE  15           HZ       PHE  15  11.650   0.858  -0.271
  133    H    VAL  16           H        VAL  16   4.955   3.205   3.360
  134    HA   VAL  16           HA       VAL  16   5.688   4.694   0.975
  135    HB   VAL  16           HB       VAL  16   2.976   4.259   2.244
  136   HG11  VAL  16          1HG1      VAL  16   3.017   6.379   1.046
  137   HG12  VAL  16          2HG1      VAL  16   2.061   5.190   0.160
  138   HG13  VAL  16          3HG1      VAL  16   3.697   5.580  -0.372
  139   HG21  VAL  16          3HG2      VAL  16   2.579   2.801   0.320
  140   HG22  VAL  16          1HG2      VAL  16   3.946   2.237   1.282
  141   HG23  VAL  16          2HG2      VAL  16   4.226   3.089  -0.237
  142    H    LYS  17           H        LYS  17   3.670   5.548   3.806
  143    HA   LYS  17           HA       LYS  17   4.077   8.335   3.218
  144    HB2  LYS  17           1HB      LYS  17   1.896   7.546   3.966
  145    HB3  LYS  17           2HB      LYS  17   2.591   6.993   5.482
  146    HG2  LYS  17           1HG      LYS  17   1.421   9.074   5.816
  147    HG3  LYS  17           2HG      LYS  17   3.151   9.315   6.055
  148    HD2  LYS  17           1HD      LYS  17   3.315  10.201   3.751
  149    HD3  LYS  17           2HD      LYS  17   1.571  10.018   3.578
  150    HE2  LYS  17           1HE      LYS  17   2.935  11.760   5.631
  151    HE3  LYS  17           2HE      LYS  17   2.267  12.333   4.107
  152    HZ1  LYS  17           3HZ      LYS  17   0.742  11.075   6.328
  153    HZ2  LYS  17           1HZ      LYS  17   0.081  11.545   4.836
  154    HZ3  LYS  17           2HZ      LYS  17   0.721  12.710   5.891
  155    H    ARG  18           H        ARG  18   5.362   6.008   5.464
  156    HA   ARG  18           HA       ARG  18   6.557   8.128   7.072
  157    HB2  ARG  18           1HB      ARG  18   6.323   5.151   7.496
  158    HB3  ARG  18           2HB      ARG  18   7.244   6.199   8.562
  159    HG2  ARG  18           1HG      ARG  18   5.245   7.445   9.122
  160    HG3  ARG  18           2HG      ARG  18   4.302   6.484   7.979
  161    HD2  ARG  18           1HD      ARG  18   4.425   4.572   9.299
  162    HD3  ARG  18           2HD      ARG  18   5.813   5.170  10.209
  163    HE   ARG  18           HE       ARG  18   3.462   6.769  10.572
  164   HH11  ARG  18          1HH1      ARG  18   5.151   3.895  11.651
  165   HH12  ARG  18          2HH1      ARG  18   4.380   3.880  13.210
  166   HH21  ARG  18          1HH2      ARG  18   2.453   6.746  12.629
  167   HH22  ARG  18          2HH2      ARG  18   2.859   5.490  13.761
  168    H    HIS  19           H        HIS  19   7.395   6.823   4.300
  169    HA   HIS  19           HA       HIS  19  10.253   7.065   4.950
  170    HB2  HIS  19           1HB      HIS  19   8.892   4.992   3.279
  171    HB3  HIS  19           2HB      HIS  19  10.504   5.526   2.817
  172    HD1  HIS  19           HD1      HIS  19   8.689   3.724   5.602
  173    HD2  HIS  19           HD2      HIS  19  12.561   4.570   4.356
  174    HE1  HIS  19           HE1      HIS  19  10.218   2.278   7.002
  175    H    GLN  20           H        GLN  20   9.134   9.287   4.409
  176    HA   GLN  20           HA       GLN  20   8.875  11.082   3.081
  177    HB2  GLN  20           1HB      GLN  20  10.842  11.533   1.569
  178    HB3  GLN  20           2HB      GLN  20  11.205  11.221   3.255
  179    HG2  GLN  20           1HG      GLN  20  12.840  10.023   2.205
  180    HG3  GLN  20           2HG      GLN  20  11.606   8.787   2.435
  181   HE21  GLN  20          1HE2      GLN  20  12.325   7.532   0.750
  182   HE22  GLN  20          2HE2      GLN  20  12.114   7.984  -0.906
  183    H    ARG  21           H        ARG  21   7.576   8.606   2.035
  184    HA   ARG  21           HA       ARG  21   6.025   8.244   0.444
  185    HB2  ARG  21           1HB      ARG  21   7.026  10.823  -0.759
  186    HB3  ARG  21           2HB      ARG  21   5.674   9.895  -1.395
  187    HG2  ARG  21           1HG      ARG  21   4.359  10.306   0.511
  188    HG3  ARG  21           2HG      ARG  21   5.745  10.888   1.437
  189    HD2  ARG  21           1HD      ARG  21   4.522  12.223  -0.971
  190    HD3  ARG  21           2HD      ARG  21   4.344  12.739   0.707
  191    HE   ARG  21           HE       ARG  21   7.076  12.586   0.090
  192   HH11  ARG  21          1HH1      ARG  21   4.253  14.501  -0.662
  193   HH12  ARG  21          2HH1      ARG  21   5.165  15.935  -1.030
  194   HH21  ARG  21          1HH2      ARG  21   8.294  14.465  -0.369
  195   HH22  ARG  21          2HH2      ARG  21   7.463  15.928  -0.827
  196    H    ILE  22           H        ILE  22   5.849   7.779  -1.993
  197    HA   ILE  22           HA       ILE  22   8.362   6.756  -3.048
  198    HB   ILE  22           HB       ILE  22   7.637   5.101  -1.358
  199   HG12  ILE  22          1HG1      ILE  22   7.250   4.021  -4.150
  200   HG13  ILE  22          2HG1      ILE  22   8.823   4.381  -3.441
  201   HG21  ILE  22          1HG2      ILE  22   5.253   5.471  -1.402
  202   HG22  ILE  22          2HG2      ILE  22   5.597   3.776  -1.742
  203   HG23  ILE  22          3HG2      ILE  22   5.159   4.867  -3.056
  204   HD11  ILE  22          3HD1      ILE  22   8.325   2.011  -3.296
  205   HD12  ILE  22          1HD1      ILE  22   6.834   2.361  -2.423
  206   HD13  ILE  22          2HD1      ILE  22   8.393   2.727  -1.686
  207    H    THR  23           H        THR  23   8.189   6.028  -5.244
  208    HA   THR  23           HA       THR  23   5.942   7.131  -6.691
  209    HB   THR  23           HB       THR  23   7.124   6.424  -8.722
  210    HG1  THR  23           HG1      THR  23   9.156   5.389  -6.990
  211   HG21  THR  23          3HG2      THR  23   9.119   7.813  -8.484
  212   HG22  THR  23          1HG2      THR  23   8.975   7.737  -6.730
  213   HG23  THR  23          2HG2      THR  23   7.738   8.559  -7.680
  214    H    GLN  24           H        GLN  24   4.741   5.830  -8.299
  215    HA   GLN  24           HA       GLN  24   3.604   3.531  -7.079
  216    HB2  GLN  24           1HB      GLN  24   2.457   5.142  -8.668
  217    HB3  GLN  24           2HB      GLN  24   3.318   4.340  -9.975
  218    HG2  GLN  24           1HG      GLN  24   2.246   2.210  -9.309
  219    HG3  GLN  24           2HG      GLN  24   1.315   3.097  -8.104
  220   HE21  GLN  24          1HE2      GLN  24   2.149   4.282 -11.300
  221   HE22  GLN  24          2HE2      GLN  24   0.530   4.301 -11.914
  222    H    GLU  25           H        GLU  25   6.134   4.048  -9.369
  223    HA   GLU  25           HA       GLU  25   6.436   1.524 -10.517
  224    HB2  GLU  25           1HB      GLU  25   7.674   3.570 -11.188
  225    HB3  GLU  25           2HB      GLU  25   8.597   3.474  -9.695
  226    HG2  GLU  25           1HG      GLU  25   9.946   2.598 -11.437
  227    HG3  GLU  25           2HG      GLU  25   9.421   1.242 -10.438
  228    H    GLU  26           H        GLU  26   8.254   2.876  -7.787
  229    HA   GLU  26           HA       GLU  26   9.404   0.438  -6.956
  230    HB2  GLU  26           1HB      GLU  26   8.885   2.897  -5.283
  231    HB3  GLU  26           2HB      GLU  26  10.095   1.661  -4.983
  232    HG2  GLU  26           1HG      GLU  26  11.438   2.385  -6.734
  233    HG3  GLU  26           2HG      GLU  26  10.121   3.280  -7.495
  234    H    LEU  27           H        LEU  27   6.436   2.098  -6.170
  235    HA   LEU  27           HA       LEU  27   5.667   0.751  -3.861
  236    HB2  LEU  27           1HB      LEU  27   4.599   2.783  -4.884
  237    HB3  LEU  27           2HB      LEU  27   3.857   1.736  -6.072
  238    HG   LEU  27           HG       LEU  27   2.390   2.485  -4.142
  239   HD11  LEU  27          1HD1      LEU  27   1.337   0.257  -3.873
  240   HD12  LEU  27          2HD1      LEU  27   2.730  -0.460  -4.679
  241   HD13  LEU  27          3HD1      LEU  27   1.692   0.668  -5.550
  242   HD21  LEU  27          3HD2      LEU  27   4.062   0.472  -2.638
  243   HD22  LEU  27          1HD2      LEU  27   2.599   1.260  -2.043
  244   HD23  LEU  27          2HD2      LEU  27   4.047   2.214  -2.362
  245    H    HIS  28           H        HIS  28   4.927  -0.026  -7.271
  246    HA   HIS  28           HA       HIS  28   3.349  -2.284  -6.605
  247    HB2  HIS  28           1HB      HIS  28   3.390  -0.921  -8.809
  248    HB3  HIS  28           2HB      HIS  28   4.720  -1.985  -9.263
  249    HD1  HIS  28           HD1      HIS  28   3.766  -4.706  -8.389
  250    HD2  HIS  28           HD2      HIS  28   1.232  -1.873 -10.070
  251    HE1  HIS  28           HE1      HIS  28   1.762  -5.974  -9.255
  252    H    GLN  29           H        GLN  29   6.756  -1.873  -7.366
  253    HA   GLN  29           HA       GLN  29   7.425  -4.608  -7.538
  254    HB2  GLN  29           1HB      GLN  29   8.918  -2.807  -8.285
  255    HB3  GLN  29           2HB      GLN  29   9.103  -2.261  -6.625
  256    HG2  GLN  29           1HG      GLN  29  11.032  -3.534  -7.371
  257    HG3  GLN  29           2HG      GLN  29  10.205  -4.336  -6.037
  258   HE21  GLN  29          1HE2      GLN  29  11.068  -6.324  -6.547
  259   HE22  GLN  29          2HE2      GLN  29  10.558  -7.242  -7.927
  260    H    TYR  30           H        TYR  30   7.283  -2.336  -4.839
  261    HA   TYR  30           HA       TYR  30   8.146  -4.224  -2.880
  262    HB2  TYR  30           1HB      TYR  30   8.340  -1.721  -2.698
  263    HB3  TYR  30           2HB      TYR  30   6.600  -1.664  -2.439
  264    HD1  TYR  30           HD1      TYR  30   9.648  -3.337  -1.062
  265    HD2  TYR  30           HD2      TYR  30   5.819  -1.662  -0.262
  266    HE1  TYR  30           HE1      TYR  30  10.014  -3.666   1.349
  267    HE2  TYR  30           HE2      TYR  30   6.178  -1.977   2.146
  268    HH   TYR  30           HH       TYR  30   9.145  -2.595   3.513
  269    H    ALA  31           H        ALA  31   5.150  -3.535  -4.418
  270    HA   ALA  31           HA       ALA  31   3.353  -4.464  -2.455
  271    HB1  ALA  31           3HB      ALA  31   2.638  -3.172  -4.427
  272    HB2  ALA  31           1HB      ALA  31   1.749  -4.687  -4.280
  273    HB3  ALA  31           2HB      ALA  31   3.049  -4.539  -5.459
  274    H    GLN  32           H        GLN  32   4.894  -6.100  -5.209
  275    HA   GLN  32           HA       GLN  32   3.813  -8.659  -4.615
  276    HB2  GLN  32           1HB      GLN  32   6.322  -7.981  -6.160
  277    HB3  GLN  32           2HB      GLN  32   5.474  -9.519  -6.189
  278    HG2  GLN  32           1HG      GLN  32   4.378  -6.891  -7.160
  279    HG3  GLN  32           2HG      GLN  32   5.001  -8.191  -8.171
  280   HE21  GLN  32          1HE2      GLN  32   3.827 -10.287  -6.510
  281   HE22  GLN  32          2HE2      GLN  32   2.126 -10.252  -6.827
  282    H    ARG  33           H        ARG  33   6.501  -6.854  -3.441
  283    HA   ARG  33           HA       ARG  33   8.061  -8.942  -2.391
  284    HB2  ARG  33           1HB      ARG  33   8.916  -6.664  -2.665
  285    HB3  ARG  33           2HB      ARG  33   7.781  -6.076  -1.462
  286    HG2  ARG  33           1HG      ARG  33   9.974  -6.242  -0.495
  287    HG3  ARG  33           2HG      ARG  33   8.919  -7.445   0.244
  288    HD2  ARG  33           1HD      ARG  33  11.232  -8.240  -0.321
  289    HD3  ARG  33           2HD      ARG  33   9.927  -9.211  -0.997
  290    HE   ARG  33           HE       ARG  33  11.294  -7.148  -2.602
  291   HH11  ARG  33          1HH1      ARG  33  10.317 -10.473  -2.094
  292   HH12  ARG  33          2HH1      ARG  33  10.738 -10.971  -3.709
  293   HH21  ARG  33          1HH2      ARG  33  11.854  -7.820  -4.729
  294   HH22  ARG  33          2HH2      ARG  33  11.610  -9.481  -5.194
  295    H    LEU  34           H        LEU  34   5.455  -6.993  -0.931
  296    HA   LEU  34           HA       LEU  34   5.712  -8.471   1.553
  297    HB2  LEU  34           1HB      LEU  34   3.923  -6.199   0.738
  298    HB3  LEU  34           2HB      LEU  34   3.817  -6.992   2.296
  299    HG   LEU  34           HG       LEU  34   6.103  -5.357   1.221
  300   HD11  LEU  34          1HD1      LEU  34   5.658  -4.029   3.249
  301   HD12  LEU  34          2HD1      LEU  34   4.284  -5.073   3.606
  302   HD13  LEU  34          3HD1      LEU  34   4.280  -4.079   2.150
  303   HD21  LEU  34          3HD2      LEU  34   6.008  -6.983   3.763
  304   HD22  LEU  34          1HD2      LEU  34   7.289  -5.863   3.294
  305   HD23  LEU  34          2HD2      LEU  34   7.009  -7.327   2.351
  306    H    GLY  35           H        GLY  35   3.581  -8.428  -1.217
  307    HA2  GLY  35           1HA      GLY  35   2.372 -10.585  -1.517
  308    HA3  GLY  35           2HA      GLY  35   1.915 -10.444   0.175
  309    H    LEU  36           H        LEU  36   1.922  -7.872  -2.265
  310    HA   LEU  36           HA       LEU  36  -0.926  -7.500  -1.718
  311    HB2  LEU  36           1HB      LEU  36   1.008  -5.715  -3.189
  312    HB3  LEU  36           2HB      LEU  36  -0.689  -5.369  -2.915
  313    HG   LEU  36           HG       LEU  36   1.410  -5.643  -0.765
  314   HD11  LEU  36          1HD1      LEU  36   1.156  -3.266  -0.482
  315   HD12  LEU  36          2HD1      LEU  36  -0.083  -3.210  -1.733
  316   HD13  LEU  36          3HD1      LEU  36   1.583  -3.600  -2.159
  317   HD21  LEU  36          3HD2      LEU  36  -0.359  -4.864   0.735
  318   HD22  LEU  36          1HD2      LEU  36  -0.780  -6.405  -0.014
  319   HD23  LEU  36          2HD2      LEU  36  -1.511  -4.910  -0.600
  320    H    ASN  37           H        ASN  37  -2.409  -8.066  -3.081
  321    HA   ASN  37           HA       ASN  37  -1.737  -8.502  -5.893
  322    HB2  ASN  37           1HB      ASN  37  -4.189  -9.303  -5.989
  323    HB3  ASN  37           2HB      ASN  37  -3.032 -10.324  -5.150
  324   HD21  ASN  37          1HD2      ASN  37  -4.312  -7.380  -3.737
  325   HD22  ASN  37          2HD2      ASN  37  -5.270  -8.166  -2.523
  326    H    GLU  38           H        GLU  38  -3.229  -7.507  -7.520
  327    HA   GLU  38           HA       GLU  38  -3.111  -4.753  -7.319
  328    HB2  GLU  38           1HB      GLU  38  -4.817  -6.504  -9.085
  329    HB3  GLU  38           2HB      GLU  38  -4.724  -4.758  -9.277
  330    HG2  GLU  38           1HG      GLU  38  -2.374  -4.878  -9.748
  331    HG3  GLU  38           2HG      GLU  38  -2.350  -6.603  -9.386
  332    H    GLU  39           H        GLU  39  -5.742  -6.873  -6.411
  333    HA   GLU  39           HA       GLU  39  -7.834  -5.120  -6.011
  334    HB2  GLU  39           1HB      GLU  39  -8.053  -7.512  -5.709
  335    HB3  GLU  39           2HB      GLU  39  -6.948  -7.474  -4.341
  336    HG2  GLU  39           1HG      GLU  39  -9.269  -7.706  -3.630
  337    HG3  GLU  39           2HG      GLU  39  -8.562  -6.199  -3.050
  338    H    ALA  40           H        ALA  40  -5.182  -5.890  -3.801
  339    HA   ALA  40           HA       ALA  40  -6.131  -4.104  -1.755
  340    HB1  ALA  40           3HB      ALA  40  -3.505  -5.565  -1.979
  341    HB2  ALA  40           1HB      ALA  40  -4.958  -6.172  -1.185
  342    HB3  ALA  40           2HB      ALA  40  -4.129  -4.756  -0.541
  343    H    ILE  41           H        ILE  41  -3.767  -4.035  -4.325
  344    HA   ILE  41           HA       ILE  41  -2.311  -1.765  -3.523
  345    HB   ILE  41           HB       ILE  41  -2.886  -2.700  -6.346
  346   HG12  ILE  41          1HG1      ILE  41  -0.621  -3.406  -4.461
  347   HG13  ILE  41          2HG1      ILE  41  -1.930  -4.481  -4.949
  348   HG21  ILE  41          1HG2      ILE  41  -0.821  -1.536  -6.936
  349   HG22  ILE  41          2HG2      ILE  41  -0.648  -0.986  -5.270
  350   HG23  ILE  41          3HG2      ILE  41  -2.004  -0.423  -6.247
  351   HD11  ILE  41          3HD1      ILE  41   0.183  -3.327  -6.755
  352   HD12  ILE  41          1HD1      ILE  41  -1.133  -4.391  -7.254
  353   HD13  ILE  41          2HD1      ILE  41   0.109  -4.983  -6.148
  354    H    ARG  42           H        ARG  42  -5.217  -2.136  -5.524
  355    HA   ARG  42           HA       ARG  42  -5.637   0.639  -5.936
  356    HB2  ARG  42           1HB      ARG  42  -6.755  -0.917  -7.376
  357    HB3  ARG  42           2HB      ARG  42  -7.521  -1.722  -6.011
  358    HG2  ARG  42           1HG      ARG  42  -8.702   0.448  -5.548
  359    HG3  ARG  42           2HG      ARG  42  -8.079   1.016  -7.095
  360    HD2  ARG  42           1HD      ARG  42  -9.355  -0.507  -8.308
  361    HD3  ARG  42           2HD      ARG  42  -9.615  -1.546  -6.904
  362    HE   ARG  42           HE       ARG  42 -10.869   0.623  -6.091
  363   HH11  ARG  42          1HH1      ARG  42 -10.989  -0.990  -9.205
  364   HH12  ARG  42          2HH1      ARG  42 -12.572  -0.386  -9.596
  365   HH21  ARG  42          1HH2      ARG  42 -12.958   1.388  -6.592
  366   HH22  ARG  42          2HH2      ARG  42 -13.694   0.957  -8.105
  367    H    GLN  43           H        GLN  43  -6.795  -1.661  -3.524
  368    HA   GLN  43           HA       GLN  43  -8.707  -0.148  -2.226
  369    HB2  GLN  43           1HB      GLN  43  -8.275  -2.552  -1.829
  370    HB3  GLN  43           2HB      GLN  43  -6.787  -2.140  -0.986
  371    HG2  GLN  43           1HG      GLN  43  -8.600  -2.668   0.555
  372    HG3  GLN  43           2HG      GLN  43  -8.048  -1.003   0.739
  373   HE21  GLN  43          1HE2      GLN  43 -10.632  -3.058  -0.378
  374   HE22  GLN  43          2HE2      GLN  43 -11.835  -1.819  -0.476
  375    H    PHE  44           H        PHE  44  -5.247  -0.376  -1.480
  376    HA   PHE  44           HA       PHE  44  -5.319   1.228   0.830
  377    HB2  PHE  44           1HB      PHE  44  -3.518  -0.401   0.159
  378    HB3  PHE  44           2HB      PHE  44  -2.946   0.801  -0.990
  379    HD1  PHE  44           HD1      PHE  44  -3.572   0.211   2.614
  380    HD2  PHE  44           HD2      PHE  44  -1.488   2.490  -0.315
  381    HE1  PHE  44           HE1      PHE  44  -2.202   1.228   4.385
  382    HE2  PHE  44           HE2      PHE  44  -0.117   3.513   1.452
  383    HZ   PHE  44           HZ       PHE  44  -0.474   2.882   3.805
  384    H    PHE  45           H        PHE  45  -5.098   2.065  -2.550
  385    HA   PHE  45           HA       PHE  45  -4.214   4.764  -1.902
  386    HB2  PHE  45           1HB      PHE  45  -4.473   3.232  -4.468
  387    HB3  PHE  45           2HB      PHE  45  -4.298   4.984  -4.481
  388    HD1  PHE  45           HD1      PHE  45  -2.700   2.009  -2.882
  389    HD2  PHE  45           HD2      PHE  45  -2.177   5.830  -4.680
  390    HE1  PHE  45           HE1      PHE  45  -0.262   1.771  -2.670
  391    HE2  PHE  45           HE2      PHE  45   0.263   5.596  -4.475
  392    HZ   PHE  45           HZ       PHE  45   1.228   3.562  -3.473
  393    H    GLU  46           H        GLU  46  -7.077   3.125  -3.185
  394    HA   GLU  46           HA       GLU  46  -8.350   5.531  -4.025
  395    HB2  GLU  46           1HB      GLU  46 -10.240   4.210  -4.532
  396    HB3  GLU  46           2HB      GLU  46  -8.847   3.194  -4.852
  397    HG2  GLU  46           1HG      GLU  46  -9.178   2.036  -2.743
  398    HG3  GLU  46           2HG      GLU  46 -10.564   3.068  -2.393
  399    H    GLU  47           H        GLU  47  -8.546   3.530  -1.153
  400    HA   GLU  47           HA       GLU  47 -10.226   5.583   0.112
  401    HB2  GLU  47           1HB      GLU  47  -9.896   2.640   0.638
  402    HB3  GLU  47           2HB      GLU  47 -10.645   3.711   1.816
  403    HG2  GLU  47           1HG      GLU  47 -12.307   4.355   0.099
  404    HG3  GLU  47           2HG      GLU  47 -11.592   3.167  -0.990
  405    H    PHE  48           H        PHE  48  -7.401   5.901  -0.207
  406    HA   PHE  48           HA       PHE  48  -6.111   5.287   2.269
  407    HB2  PHE  48           1HB      PHE  48  -4.899   5.640   0.107
  408    HB3  PHE  48           2HB      PHE  48  -5.290   7.351   0.214
  409    HD1  PHE  48           HD1      PHE  48  -3.576   4.605   2.033
  410    HD2  PHE  48           HD2      PHE  48  -3.889   8.802   1.370
  411    HE1  PHE  48           HE1      PHE  48  -1.554   4.974   3.390
  412    HE2  PHE  48           HE2      PHE  48  -1.869   9.171   2.725
  413    HZ   PHE  48           HZ       PHE  48  -0.699   7.255   3.736
  414    H    GLU  49           H        GLU  49  -6.722   8.519   0.884
  415    HA   GLU  49           HA       GLU  49  -7.302   9.458   3.609
  416    HB2  GLU  49           1HB      GLU  49  -6.606  11.687   2.822
  417    HB3  GLU  49           2HB      GLU  49  -5.318  10.498   2.662
  418    HG2  GLU  49           1HG      GLU  49  -5.692  10.314   0.309
  419    HG3  GLU  49           2HG      GLU  49  -7.129  11.331   0.407
  420    H    GLN  50           H        GLN  50  -8.846   8.465   1.003
  421    HA   GLN  50           HA       GLN  50 -10.815  10.625   0.903
  422    HB2  GLN  50           1HB      GLN  50 -10.463   8.153  -0.804
  423    HB3  GLN  50           2HB      GLN  50 -11.793   9.292  -0.984
  424    HG2  GLN  50           1HG      GLN  50 -10.111  11.086  -1.383
  425    HG3  GLN  50           2HG      GLN  50  -8.860   9.845  -1.377
  426   HE21  GLN  50          1HE2      GLN  50 -10.521   7.870  -2.717
  427   HE22  GLN  50          2HE2      GLN  50 -10.643   8.377  -4.373
  428    H    ARG  51           H        ARG  51 -10.380   8.778   3.158
  429    HA   ARG  51           HA       ARG  51 -12.692   7.080   3.295
  430    HB2  ARG  51           1HB      ARG  51 -10.679   7.992   5.355
  431    HB3  ARG  51           2HB      ARG  51 -11.997   6.885   5.720
  432    HG2  ARG  51           1HG      ARG  51 -11.099   5.209   4.362
  433    HG3  ARG  51           2HG      ARG  51 -10.021   6.338   3.542
  434    HD2  ARG  51           1HD      ARG  51  -8.628   6.541   5.447
  435    HD3  ARG  51           2HD      ARG  51  -9.796   5.699   6.475
  436    HE   ARG  51           HE       ARG  51  -9.261   3.804   4.690
  437   HH11  ARG  51          1HH1      ARG  51  -7.069   5.924   6.419
  438   HH12  ARG  51          2HH1      ARG  51  -5.746   4.813   6.335
  439   HH21  ARG  51          1HH2      ARG  51  -7.526   2.353   4.595
  440   HH22  ARG  51          2HH2      ARG  51  -5.991   2.782   5.300
  441    H    LYS  52           H        LYS  52 -14.147   8.837   2.635
  442    HA   LYS  52           HA       LYS  52 -15.778  10.361   3.012
  443    HB2  LYS  52           1HB      LYS  52 -15.320   9.687   5.926
  444    HB3  LYS  52           2HB      LYS  52 -16.689  10.591   5.296
  445    HG2  LYS  52           1HG      LYS  52 -17.419   8.639   4.039
  446    HG3  LYS  52           2HG      LYS  52 -16.028   7.729   4.631
  447    HD2  LYS  52           1HD      LYS  52 -17.967   7.154   5.944
  448    HD3  LYS  52           2HD      LYS  52 -16.848   8.079   6.946
  449    HE2  LYS  52           1HE      LYS  52 -18.193  10.113   6.476
  450    HE3  LYS  52           2HE      LYS  52 -19.346   9.104   5.602
  451    HZ1  LYS  52           3HZ      LYS  52 -20.120   9.468   7.832
  452    HZ2  LYS  52           1HZ      LYS  52 -18.658   8.909   8.483
  453    HZ3  LYS  52           2HZ      LYS  52 -19.684   7.836   7.667
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1 -10.809  -2.150   4.250
    2    H2   MET   1           2H       MET   1 -12.425  -2.079   3.745
    3    H3   MET   1           3H       MET   1 -11.221  -2.552   2.652
    4    HA   MET   1           HA       MET   1 -12.089  -4.034   5.068
    5    HB2  MET   1           1HB      MET   1 -13.550  -4.010   2.941
    6    HB3  MET   1           2HB      MET   1 -12.248  -4.916   2.183
    7    HG2  MET   1           1HG      MET   1 -13.886  -6.471   2.899
    8    HG3  MET   1           2HG      MET   1 -12.501  -6.628   3.978
    9    HE1  MET   1           3HE      MET   1 -14.080  -8.010   5.623
   10    HE2  MET   1           1HE      MET   1 -15.476  -7.759   4.575
   11    HE3  MET   1           2HE      MET   1 -15.587  -7.380   6.293
   12    H    LYS   2           H        LYS   2 -10.753  -5.834   5.645
   13    HA   LYS   2           HA       LYS   2  -8.044  -5.664   4.763
   14    HB2  LYS   2           1HB      LYS   2  -9.439  -7.752   6.450
   15    HB3  LYS   2           2HB      LYS   2  -7.702  -7.686   6.179
   16    HG2  LYS   2           1HG      LYS   2  -7.650  -5.460   7.228
   17    HG3  LYS   2           2HG      LYS   2  -9.379  -5.595   7.549
   18    HD2  LYS   2           1HD      LYS   2  -7.247  -7.450   8.604
   19    HD3  LYS   2           2HD      LYS   2  -8.014  -6.153   9.516
   20    HE2  LYS   2           1HE      LYS   2  -9.405  -7.769  10.206
   21    HE3  LYS   2           2HE      LYS   2 -10.182  -7.528   8.642
   22    HZ1  LYS   2           3HZ      LYS   2  -9.729  -9.873   9.106
   23    HZ2  LYS   2           1HZ      LYS   2  -8.071  -9.542   9.213
   24    HZ3  LYS   2           2HZ      LYS   2  -8.881  -9.346   7.735
   25    H    GLN   3           H        GLN   3  -6.827  -7.397   3.770
   26    HA   GLN   3           HA       GLN   3  -8.009  -9.409   2.202
   27    HB2  GLN   3           1HB      GLN   3  -9.051  -7.454   1.064
   28    HB3  GLN   3           2HB      GLN   3  -7.442  -6.826   0.718
   29    HG2  GLN   3           1HG      GLN   3  -8.448  -7.936  -1.217
   30    HG3  GLN   3           2HG      GLN   3  -6.968  -8.733  -0.689
   31   HE21  GLN   3          1HE2      GLN   3  -7.066 -10.769   0.198
   32   HE22  GLN   3          2HE2      GLN   3  -8.478 -11.765   0.116
   33    H    TRP   4           H        TRP   4  -5.596  -6.829   1.974
   34    HA   TRP   4           HA       TRP   4  -3.522  -8.415   0.928
   35    HB2  TRP   4           1HB      TRP   4  -2.041  -6.548   1.866
   36    HB3  TRP   4           2HB      TRP   4  -3.235  -6.102   0.660
   37    HD1  TRP   4           HD1      TRP   4  -5.087  -6.403   3.820
   38    HE1  TRP   4           HE1      TRP   4  -5.432  -4.098   4.905
   39    HE3  TRP   4           HE3      TRP   4  -1.683  -3.738   1.135
   40    HZ2  TRP   4           HZ2      TRP   4  -4.418  -1.506   4.636
   41    HZ3  TRP   4           HZ3      TRP   4  -1.432  -1.342   1.607
   42    HH2  TRP   4           HH2      TRP   4  -2.767  -0.250   3.326
   43    H    SER   5           H        SER   5  -1.488  -8.908   2.062
   44    HA   SER   5           HA       SER   5  -1.798 -10.631   4.175
   45    HB2  SER   5           1HB      SER   5   0.687  -9.028   3.538
   46    HB3  SER   5           2HB      SER   5   0.622 -10.566   4.400
   47    HG   SER   5           HG       SER   5   1.155 -10.633   2.076
   48    H    GLU   6           H        GLU   6  -2.150 -10.413   6.240
   49    HA   GLU   6           HA       GLU   6  -3.044  -8.175   7.472
   50    HB2  GLU   6           1HB      GLU   6  -3.402 -10.409   8.329
   51    HB3  GLU   6           2HB      GLU   6  -1.698 -10.566   8.728
   52    HG2  GLU   6           1HG      GLU   6  -1.894  -8.883  10.436
   53    HG3  GLU   6           2HG      GLU   6  -3.571  -8.574   9.983
   54    H    ASN   7           H        ASN   7   0.336  -9.276   7.475
   55    HA   ASN   7           HA       ASN   7   1.081  -7.191   9.336
   56    HB2  ASN   7           1HB      ASN   7   2.691  -9.294   7.902
   57    HB3  ASN   7           2HB      ASN   7   3.407  -8.097   8.980
   58   HD21  ASN   7          1HD2      ASN   7   3.022  -8.220  11.177
   59   HD22  ASN   7          2HD2      ASN   7   2.375  -9.645  11.929
   60    H    VAL   8           H        VAL   8   0.721  -7.416   5.983
   61    HA   VAL   8           HA       VAL   8   2.852  -5.578   5.313
   62    HB   VAL   8           HB       VAL   8   0.592  -6.683   3.640
   63   HG11  VAL   8          1HG1      VAL   8   2.988  -5.033   2.841
   64   HG12  VAL   8          2HG1      VAL   8   1.293  -4.547   2.751
   65   HG13  VAL   8          3HG1      VAL   8   1.897  -5.840   1.718
   66   HG21  VAL   8          3HG2      VAL   8   2.373  -8.048   2.621
   67   HG22  VAL   8          1HG2      VAL   8   2.166  -8.384   4.340
   68   HG23  VAL   8          2HG2      VAL   8   3.517  -7.393   3.794
   69    H    GLU   9           H        GLU   9  -0.631  -5.558   5.744
   70    HA   GLU   9           HA       GLU   9  -1.393  -3.062   4.942
   71    HB2  GLU   9           1HB      GLU   9  -2.994  -4.615   5.873
   72    HB3  GLU   9           2HB      GLU   9  -2.169  -4.600   7.433
   73    HG2  GLU   9           1HG      GLU   9  -2.786  -2.232   7.710
   74    HG3  GLU   9           2HG      GLU   9  -3.654  -2.298   6.177
   75    H    GLU  10           H        GLU  10   0.107  -3.942   8.001
   76    HA   GLU  10           HA       GLU  10   0.151  -1.369   9.137
   77    HB2  GLU  10           1HB      GLU  10   0.334  -3.174  10.619
   78    HB3  GLU  10           2HB      GLU  10   1.624  -3.929   9.693
   79    HG2  GLU  10           1HG      GLU  10   3.171  -2.203  10.376
   80    HG3  GLU  10           2HG      GLU  10   1.880  -1.358  11.238
   81    H    LYS  11           H        LYS  11   2.796  -3.244   7.623
   82    HA   LYS  11           HA       LYS  11   4.650  -1.143   8.122
   83    HB2  LYS  11           1HB      LYS  11   5.348  -3.470   8.121
   84    HB3  LYS  11           2HB      LYS  11   4.949  -3.607   6.411
   85    HG2  LYS  11           1HG      LYS  11   6.694  -2.087   5.805
   86    HG3  LYS  11           2HG      LYS  11   7.000  -1.683   7.492
   87    HD2  LYS  11           1HD      LYS  11   8.711  -3.183   6.724
   88    HD3  LYS  11           2HD      LYS  11   7.683  -4.035   7.877
   89    HE2  LYS  11           1HE      LYS  11   6.498  -5.113   6.039
   90    HE3  LYS  11           2HE      LYS  11   7.478  -4.227   4.871
   91    HZ1  LYS  11           3HZ      LYS  11   9.443  -5.345   5.719
   92    HZ2  LYS  11           1HZ      LYS  11   8.291  -6.481   5.200
   93    HZ3  LYS  11           2HZ      LYS  11   8.503  -6.185   6.855
   94    H    LEU  12           H        LEU  12   2.675  -2.031   5.352
   95    HA   LEU  12           HA       LEU  12   4.039  -0.459   3.447
   96    HB2  LEU  12           1HB      LEU  12   2.204  -2.091   2.931
   97    HB3  LEU  12           2HB      LEU  12   1.058  -0.921   3.556
   98    HG   LEU  12           HG       LEU  12   1.852   0.693   1.817
   99   HD11  LEU  12          1HD1      LEU  12   3.068  -0.283  -0.114
  100   HD12  LEU  12          2HD1      LEU  12   3.359  -1.730   0.851
  101   HD13  LEU  12          3HD1      LEU  12   4.031  -0.179   1.358
  102   HD21  LEU  12          3HD2      LEU  12   0.675  -0.387  -0.041
  103   HD22  LEU  12          1HD2      LEU  12  -0.190  -0.578   1.484
  104   HD23  LEU  12          2HD2      LEU  12   0.736  -1.924   0.823
  105    H    LYS  13           H        LYS  13   1.514   0.290   5.789
  106    HA   LYS  13           HA       LYS  13   1.029   2.944   5.117
  107    HB2  LYS  13           1HB      LYS  13  -0.236   1.602   6.794
  108    HB3  LYS  13           2HB      LYS  13   1.115   1.761   7.898
  109    HG2  LYS  13           1HG      LYS  13   0.787   4.227   7.767
  110    HG3  LYS  13           2HG      LYS  13  -0.694   3.924   6.867
  111    HD2  LYS  13           1HD      LYS  13  -1.398   4.171   9.090
  112    HD3  LYS  13           2HD      LYS  13  -1.369   2.427   8.820
  113    HE2  LYS  13           1HE      LYS  13  -0.352   2.732  10.922
  114    HE3  LYS  13           2HE      LYS  13   0.990   2.477   9.806
  115    HZ1  LYS  13           3HZ      LYS  13   0.034   5.124  10.754
  116    HZ2  LYS  13           1HZ      LYS  13   1.359   4.848   9.731
  117    HZ3  LYS  13           2HZ      LYS  13   1.397   4.306  11.335
  118    H    GLU  14           H        GLU  14   3.542   1.513   7.112
  119    HA   GLU  14           HA       GLU  14   4.677   3.993   7.923
  120    HB2  GLU  14           1HB      GLU  14   5.989   1.272   7.847
  121    HB3  GLU  14           2HB      GLU  14   6.517   2.666   8.778
  122    HG2  GLU  14           1HG      GLU  14   4.236   2.542   9.916
  123    HG3  GLU  14           2HG      GLU  14   4.114   0.933   9.206
  124    H    PHE  15           H        PHE  15   5.267   1.750   5.278
  125    HA   PHE  15           HA       PHE  15   7.741   2.935   4.499
  126    HB2  PHE  15           1HB      PHE  15   7.075   0.552   4.141
  127    HB3  PHE  15           2HB      PHE  15   5.925   1.102   2.933
  128    HD1  PHE  15           HD1      PHE  15   9.530   1.625   3.740
  129    HD2  PHE  15           HD2      PHE  15   6.603   0.840   0.755
  130    HE1  PHE  15           HE1      PHE  15  11.308   1.470   2.047
  131    HE2  PHE  15           HE2      PHE  15   8.373   0.684  -0.942
  132    HZ   PHE  15           HZ       PHE  15  10.727   1.001  -0.298
  133    H    VAL  16           H        VAL  16   4.455   3.720   3.949
  134    HA   VAL  16           HA       VAL  16   5.045   5.235   1.535
  135    HB   VAL  16           HB       VAL  16   2.442   4.884   3.036
  136   HG11  VAL  16          1HG1      VAL  16   1.383   5.972   1.110
  137   HG12  VAL  16          2HG1      VAL  16   2.977   6.308   0.429
  138   HG13  VAL  16          3HG1      VAL  16   2.490   7.062   1.947
  139   HG21  VAL  16          3HG2      VAL  16   3.204   2.870   1.885
  140   HG22  VAL  16          1HG2      VAL  16   3.401   3.787   0.391
  141   HG23  VAL  16          2HG2      VAL  16   1.792   3.554   1.078
  142    H    LYS  17           H        LYS  17   3.800   5.944   4.824
  143    HA   LYS  17           HA       LYS  17   4.240   8.789   4.255
  144    HB2  LYS  17           1HB      LYS  17   1.993   8.246   4.922
  145    HB3  LYS  17           2HB      LYS  17   2.571   7.427   6.364
  146    HG2  LYS  17           1HG      LYS  17   1.632   9.631   6.862
  147    HG3  LYS  17           2HG      LYS  17   3.337   9.522   7.295
  148    HD2  LYS  17           1HD      LYS  17   2.824  11.663   6.218
  149    HD3  LYS  17           2HD      LYS  17   3.955  10.713   5.261
  150    HE2  LYS  17           1HE      LYS  17   2.147  10.021   3.781
  151    HE3  LYS  17           2HE      LYS  17   0.989  10.929   4.753
  152    HZ1  LYS  17           3HZ      LYS  17   1.764  12.096   2.713
  153    HZ2  LYS  17           1HZ      LYS  17   3.318  12.167   3.386
  154    HZ3  LYS  17           2HZ      LYS  17   2.026  12.966   4.142
  155    H    ARG  18           H        ARG  18   5.111   6.276   6.573
  156    HA   ARG  18           HA       ARG  18   6.535   8.140   8.277
  157    HB2  ARG  18           1HB      ARG  18   6.277   5.128   8.345
  158    HB3  ARG  18           2HB      ARG  18   7.187   6.057   9.527
  159    HG2  ARG  18           1HG      ARG  18   5.184   7.173  10.270
  160    HG3  ARG  18           2HG      ARG  18   4.239   6.382   9.003
  161    HD2  ARG  18           1HD      ARG  18   4.528   4.246   9.998
  162    HD3  ARG  18           2HD      ARG  18   5.762   4.853  11.101
  163    HE   ARG  18           HE       ARG  18   3.285   6.192  11.499
  164   HH11  ARG  18          1HH1      ARG  18   4.928   3.144  12.131
  165   HH12  ARG  18          2HH1      ARG  18   3.985   2.800  13.549
  166   HH21  ARG  18          1HH2      ARG  18   2.068   5.723  13.370
  167   HH22  ARG  18          2HH2      ARG  18   2.374   4.261  14.263
  168    H    HIS  19           H        HIS  19   7.223   7.120   5.359
  169    HA   HIS  19           HA       HIS  19  10.078   6.624   5.892
  170    HB2  HIS  19           1HB      HIS  19   8.457   4.799   4.818
  171    HB3  HIS  19           2HB      HIS  19   8.789   5.712   3.353
  172    HD1  HIS  19           HD1      HIS  19  10.496   3.514   5.907
  173    HD2  HIS  19           HD2      HIS  19  11.283   5.344   2.254
  174    HE1  HIS  19           HE1      HIS  19  12.649   2.503   5.052
  175    H    GLN  20           H        GLN  20  11.050   6.944   3.340
  176    HA   GLN  20           HA       GLN  20  10.862   9.823   3.058
  177    HB2  GLN  20           1HB      GLN  20  12.620   7.809   1.645
  178    HB3  GLN  20           2HB      GLN  20  12.744   9.553   1.474
  179    HG2  GLN  20           1HG      GLN  20  13.165   8.007   4.022
  180    HG3  GLN  20           2HG      GLN  20  14.434   8.651   2.984
  181   HE21  GLN  20          1HE2      GLN  20  12.917  11.113   2.432
  182   HE22  GLN  20          2HE2      GLN  20  13.053  12.068   3.869
  183    H    ARG  21           H        ARG  21   8.708   7.898   2.159
  184    HA   ARG  21           HA       ARG  21   7.152   7.775   0.530
  185    HB2  ARG  21           1HB      ARG  21   8.633  10.223  -0.341
  186    HB3  ARG  21           2HB      ARG  21   7.418   9.534  -1.401
  187    HG2  ARG  21           1HG      ARG  21   6.878  10.276   1.457
  188    HG3  ARG  21           2HG      ARG  21   6.637  11.379   0.100
  189    HD2  ARG  21           1HD      ARG  21   5.358   8.673   0.395
  190    HD3  ARG  21           2HD      ARG  21   4.564  10.207   0.751
  191    HE   ARG  21           HE       ARG  21   4.938  10.742  -1.665
  192   HH11  ARG  21          1HH1      ARG  21   4.699   7.425  -0.565
  193   HH12  ARG  21          2HH1      ARG  21   4.220   6.811  -2.114
  194   HH21  ARG  21          1HH2      ARG  21   4.298   9.954  -3.697
  195   HH22  ARG  21          2HH2      ARG  21   3.989   8.256  -3.913
  196    H    ILE  22           H        ILE  22   7.021   7.608  -2.062
  197    HA   ILE  22           HA       ILE  22   9.246   6.477  -3.379
  198    HB   ILE  22           HB       ILE  22   9.031   4.711  -1.722
  199   HG12  ILE  22          1HG1      ILE  22   7.968   3.809  -4.404
  200   HG13  ILE  22          2HG1      ILE  22   9.666   4.073  -4.013
  201   HG21  ILE  22          1HG2      ILE  22   6.186   4.430  -2.676
  202   HG22  ILE  22          2HG2      ILE  22   6.708   5.042  -1.106
  203   HG23  ILE  22          3HG2      ILE  22   6.998   3.355  -1.538
  204   HD11  ILE  22          3HD1      ILE  22   9.538   2.291  -2.342
  205   HD12  ILE  22          1HD1      ILE  22   9.141   1.723  -3.964
  206   HD13  ILE  22          2HD1      ILE  22   7.854   2.011  -2.792
  207    H    THR  23           H        THR  23   8.749   5.894  -5.514
  208    HA   THR  23           HA       THR  23   6.360   7.069  -6.541
  209    HB   THR  23           HB       THR  23   7.232   6.249  -8.760
  210    HG1  THR  23           HG1      THR  23   9.034   5.083  -8.842
  211   HG21  THR  23          3HG2      THR  23   7.761   8.487  -7.883
  212   HG22  THR  23          1HG2      THR  23   9.087   7.819  -8.835
  213   HG23  THR  23          2HG2      THR  23   9.180   7.822  -7.075
  214    H    GLN  24           H        GLN  24   4.963   5.937  -8.123
  215    HA   GLN  24           HA       GLN  24   3.600   3.872  -6.788
  216    HB2  GLN  24           1HB      GLN  24   2.528   5.513  -8.280
  217    HB3  GLN  24           2HB      GLN  24   3.325   4.767  -9.659
  218    HG2  GLN  24           1HG      GLN  24   2.131   2.672  -9.187
  219    HG3  GLN  24           2HG      GLN  24   1.292   3.473  -7.858
  220   HE21  GLN  24          1HE2      GLN  24  -0.242   5.047  -8.314
  221   HE22  GLN  24          2HE2      GLN  24  -0.973   5.182  -9.878
  222    H    GLU  25           H        GLU  25   5.741   3.789  -9.622
  223    HA   GLU  25           HA       GLU  25   5.318   1.122 -10.370
  224    HB2  GLU  25           1HB      GLU  25   6.552   2.725 -11.759
  225    HB3  GLU  25           2HB      GLU  25   7.845   2.769 -10.569
  226    HG2  GLU  25           1HG      GLU  25   8.231   0.356 -10.971
  227    HG3  GLU  25           2HG      GLU  25   7.027   0.415 -12.258
  228    H    GLU  26           H        GLU  26   7.825   2.498  -8.274
  229    HA   GLU  26           HA       GLU  26   8.996   0.050  -7.527
  230    HB2  GLU  26           1HB      GLU  26   8.979   2.778  -6.249
  231    HB3  GLU  26           2HB      GLU  26   9.890   1.430  -5.584
  232    HG2  GLU  26           1HG      GLU  26  10.244   2.345  -8.417
  233    HG3  GLU  26           2HG      GLU  26  11.127   3.072  -7.077
  234    H    LEU  27           H        LEU  27   6.309   1.893  -6.245
  235    HA   LEU  27           HA       LEU  27   5.954   0.467  -3.832
  236    HB2  LEU  27           1HB      LEU  27   4.892   2.694  -4.692
  237    HB3  LEU  27           2HB      LEU  27   3.681   1.649  -5.401
  238    HG   LEU  27           HG       LEU  27   3.005   2.631  -3.222
  239   HD11  LEU  27          1HD1      LEU  27   1.970   0.557  -3.951
  240   HD12  LEU  27          2HD1      LEU  27   2.175   0.573  -2.198
  241   HD13  LEU  27          3HD1      LEU  27   3.273  -0.370  -3.208
  242   HD21  LEU  27          3HD2      LEU  27   5.159   0.865  -2.073
  243   HD22  LEU  27          1HD2      LEU  27   4.022   1.865  -1.169
  244   HD23  LEU  27          2HD2      LEU  27   5.242   2.623  -2.192
  245    H    HIS  28           H        HIS  28   4.659   0.021  -7.105
  246    HA   HIS  28           HA       HIS  28   2.943  -2.127  -6.433
  247    HB2  HIS  28           1HB      HIS  28   2.995  -0.641  -8.571
  248    HB3  HIS  28           2HB      HIS  28   4.152  -1.830  -9.163
  249    HD1  HIS  28           HD1      HIS  28   2.874  -4.446  -8.248
  250    HD2  HIS  28           HD2      HIS  28   0.713  -1.271  -9.835
  251    HE1  HIS  28           HE1      HIS  28   0.698  -5.417  -9.081
  252    H    GLN  29           H        GLN  29   6.295  -1.963  -7.498
  253    HA   GLN  29           HA       GLN  29   6.739  -4.742  -7.768
  254    HB2  GLN  29           1HB      GLN  29   8.280  -3.004  -8.625
  255    HB3  GLN  29           2HB      GLN  29   8.689  -2.566  -6.973
  256    HG2  GLN  29           1HG      GLN  29  10.428  -3.934  -7.902
  257    HG3  GLN  29           2HG      GLN  29   9.601  -4.823  -6.625
  258   HE21  GLN  29          1HE2      GLN  29   8.374  -6.617  -7.154
  259   HE22  GLN  29          2HE2      GLN  29   8.449  -7.369  -8.712
  260    H    TYR  30           H        TYR  30   6.908  -2.521  -5.063
  261    HA   TYR  30           HA       TYR  30   7.904  -4.354  -3.138
  262    HB2  TYR  30           1HB      TYR  30   8.017  -1.878  -2.935
  263    HB3  TYR  30           2HB      TYR  30   6.270  -1.831  -2.759
  264    HD1  TYR  30           HD1      TYR  30   9.244  -3.448  -1.183
  265    HD2  TYR  30           HD2      TYR  30   5.405  -1.713  -0.625
  266    HE1  TYR  30           HE1      TYR  30   9.510  -3.662   1.247
  267    HE2  TYR  30           HE2      TYR  30   5.661  -1.918   1.814
  268    HH   TYR  30           HH       TYR  30   8.672  -2.734   3.279
  269    H    ALA  31           H        ALA  31   4.758  -3.652  -4.440
  270    HA   ALA  31           HA       ALA  31   3.154  -4.644  -2.349
  271    HB1  ALA  31           3HB      ALA  31   2.268  -3.228  -4.120
  272    HB2  ALA  31           1HB      ALA  31   1.372  -4.742  -4.019
  273    HB3  ALA  31           2HB      ALA  31   2.557  -4.504  -5.303
  274    H    GLN  32           H        GLN  32   4.168  -6.207  -5.397
  275    HA   GLN  32           HA       GLN  32   3.025  -8.713  -4.660
  276    HB2  GLN  32           1HB      GLN  32   4.971  -7.962  -6.834
  277    HB3  GLN  32           2HB      GLN  32   4.358  -9.596  -6.614
  278    HG2  GLN  32           1HG      GLN  32   2.065  -8.743  -6.907
  279    HG3  GLN  32           2HG      GLN  32   2.731  -7.139  -7.219
  280   HE21  GLN  32          1HE2      GLN  32   1.832  -7.116  -9.286
  281   HE22  GLN  32          2HE2      GLN  32   2.521  -8.026 -10.586
  282    H    ARG  33           H        ARG  33   6.002  -7.173  -3.957
  283    HA   ARG  33           HA       ARG  33   7.578  -9.457  -3.404
  284    HB2  ARG  33           1HB      ARG  33   8.511  -7.186  -3.651
  285    HB3  ARG  33           2HB      ARG  33   7.701  -6.698  -2.170
  286    HG2  ARG  33           1HG      ARG  33   9.047  -8.366  -0.932
  287    HG3  ARG  33           2HG      ARG  33   9.904  -8.736  -2.430
  288    HD2  ARG  33           1HD      ARG  33   9.842  -6.105  -0.961
  289    HD3  ARG  33           2HD      ARG  33  11.223  -7.187  -1.153
  290    HE   ARG  33           HE       ARG  33  10.665  -6.660  -3.695
  291   HH11  ARG  33          1HH1      ARG  33  10.980  -4.510  -0.940
  292   HH12  ARG  33          2HH1      ARG  33  11.361  -3.125  -1.921
  293   HH21  ARG  33          1HH2      ARG  33  11.194  -4.859  -4.960
  294   HH22  ARG  33          2HH2      ARG  33  11.492  -3.326  -4.203
  295    H    LEU  34           H        LEU  34   5.138  -7.716  -1.615
  296    HA   LEU  34           HA       LEU  34   5.701  -9.307   0.778
  297    HB2  LEU  34           1HB      LEU  34   3.882  -6.926   0.429
  298    HB3  LEU  34           2HB      LEU  34   4.221  -7.742   1.945
  299    HG   LEU  34           HG       LEU  34   6.147  -6.127   0.279
  300   HD11  LEU  34          1HD1      LEU  34   6.239  -4.698   2.238
  301   HD12  LEU  34          2HD1      LEU  34   5.090  -5.743   3.069
  302   HD13  LEU  34          3HD1      LEU  34   4.586  -4.839   1.642
  303   HD21  LEU  34          3HD2      LEU  34   7.292  -8.083   1.194
  304   HD22  LEU  34          1HD2      LEU  34   6.692  -7.684   2.804
  305   HD23  LEU  34          2HD2      LEU  34   7.819  -6.599   1.988
  306    H    GLY  35           H        GLY  35   3.322  -8.878  -1.733
  307    HA2  GLY  35           1HA      GLY  35   2.027 -10.956  -2.136
  308    HA3  GLY  35           2HA      GLY  35   1.727 -10.989  -0.412
  309    H    LEU  36           H        LEU  36   1.532  -8.218  -2.647
  310    HA   LEU  36           HA       LEU  36  -1.178  -7.810  -1.601
  311    HB2  LEU  36           1HB      LEU  36   0.567  -5.819  -3.038
  312    HB3  LEU  36           2HB      LEU  36  -0.960  -5.497  -2.235
  313    HG   LEU  36           HG       LEU  36   1.669  -6.213  -0.943
  314   HD11  LEU  36          1HD1      LEU  36  -0.150  -3.822  -0.696
  315   HD12  LEU  36          2HD1      LEU  36   1.390  -3.875  -1.550
  316   HD13  LEU  36          3HD1      LEU  36   1.348  -4.079   0.201
  317   HD21  LEU  36          3HD2      LEU  36  -1.078  -6.068   0.283
  318   HD22  LEU  36          1HD2      LEU  36   0.430  -6.098   1.198
  319   HD23  LEU  36          2HD2      LEU  36  -0.024  -7.476   0.195
  320    H    ASN  37           H        ASN  37  -2.898  -7.865  -2.812
  321    HA   ASN  37           HA       ASN  37  -2.703  -8.129  -5.697
  322    HB2  ASN  37           1HB      ASN  37  -5.248  -8.287  -5.498
  323    HB3  ASN  37           2HB      ASN  37  -4.318  -9.586  -4.766
  324   HD21  ASN  37          1HD2      ASN  37  -4.506  -6.460  -3.223
  325   HD22  ASN  37          2HD2      ASN  37  -5.552  -6.949  -1.932
  326    H    GLU  38           H        GLU  38  -4.323  -6.762  -6.996
  327    HA   GLU  38           HA       GLU  38  -3.508  -4.065  -6.739
  328    HB2  GLU  38           1HB      GLU  38  -5.734  -5.223  -8.427
  329    HB3  GLU  38           2HB      GLU  38  -5.024  -3.625  -8.625
  330    HG2  GLU  38           1HG      GLU  38  -2.847  -4.697  -9.104
  331    HG3  GLU  38           2HG      GLU  38  -3.633  -6.271  -9.006
  332    H    GLU  39           H        GLU  39  -6.265  -5.810  -5.597
  333    HA   GLU  39           HA       GLU  39  -8.146  -3.902  -5.017
  334    HB2  GLU  39           1HB      GLU  39  -8.573  -6.187  -4.492
  335    HB3  GLU  39           2HB      GLU  39  -7.166  -6.282  -3.444
  336    HG2  GLU  39           1HG      GLU  39  -9.137  -6.266  -2.094
  337    HG3  GLU  39           2HG      GLU  39  -8.292  -4.735  -1.869
  338    H    ALA  40           H        ALA  40  -5.421  -4.855  -2.993
  339    HA   ALA  40           HA       ALA  40  -5.977  -2.899  -0.988
  340    HB1  ALA  40           3HB      ALA  40  -4.924  -5.088  -0.524
  341    HB2  ALA  40           1HB      ALA  40  -4.009  -3.723   0.111
  342    HB3  ALA  40           2HB      ALA  40  -3.475  -4.532  -1.362
  343    H    ILE  41           H        ILE  41  -4.004  -3.016  -3.836
  344    HA   ILE  41           HA       ILE  41  -2.268  -0.870  -3.172
  345    HB   ILE  41           HB       ILE  41  -3.068  -1.841  -5.923
  346   HG12  ILE  41          1HG1      ILE  41  -0.801  -2.692  -4.103
  347   HG13  ILE  41          2HG1      ILE  41  -2.207  -3.663  -4.529
  348   HG21  ILE  41          1HG2      ILE  41  -1.993   0.340  -5.973
  349   HG22  ILE  41          2HG2      ILE  41  -0.904  -0.889  -6.615
  350   HG23  ILE  41          3HG2      ILE  41  -0.667  -0.268  -4.981
  351   HD11  ILE  41          3HD1      ILE  41  -0.258  -4.362  -5.772
  352   HD12  ILE  41          1HD1      ILE  41  -0.058  -2.731  -6.415
  353   HD13  ILE  41          2HD1      ILE  41  -1.475  -3.685  -6.857
  354    H    ARG  42           H        ARG  42  -5.308  -1.099  -4.986
  355    HA   ARG  42           HA       ARG  42  -5.537   1.703  -5.467
  356    HB2  ARG  42           1HB      ARG  42  -7.641  -0.467  -5.388
  357    HB3  ARG  42           2HB      ARG  42  -7.936   1.187  -5.904
  358    HG2  ARG  42           1HG      ARG  42  -6.480   0.944  -7.760
  359    HG3  ARG  42           2HG      ARG  42  -5.963  -0.656  -7.217
  360    HD2  ARG  42           1HD      ARG  42  -8.329  -1.403  -7.431
  361    HD3  ARG  42           2HD      ARG  42  -8.707   0.164  -8.151
  362    HE   ARG  42           HE       ARG  42  -7.036  -0.454  -9.904
  363   HH11  ARG  42          1HH1      ARG  42  -8.757  -2.878  -8.050
  364   HH12  ARG  42          2HH1      ARG  42  -8.605  -4.113  -9.272
  365   HH21  ARG  42          1HH2      ARG  42  -6.833  -2.069 -11.525
  366   HH22  ARG  42          2HH2      ARG  42  -7.508  -3.652 -11.246
  367    H    GLN  43           H        GLN  43  -6.504  -0.472  -2.922
  368    HA   GLN  43           HA       GLN  43  -8.312   1.113  -1.528
  369    HB2  GLN  43           1HB      GLN  43  -7.938  -1.275  -1.105
  370    HB3  GLN  43           2HB      GLN  43  -6.347  -0.913  -0.455
  371    HG2  GLN  43           1HG      GLN  43  -7.394   0.373   1.348
  372    HG3  GLN  43           2HG      GLN  43  -8.983  -0.046   0.705
  373   HE21  GLN  43          1HE2      GLN  43  -9.693  -2.183   0.829
  374   HE22  GLN  43          2HE2      GLN  43  -8.977  -3.316   1.931
  375    H    PHE  44           H        PHE  44  -4.787   1.147  -1.491
  376    HA   PHE  44           HA       PHE  44  -4.803   2.902   0.827
  377    HB2  PHE  44           1HB      PHE  44  -3.115   0.916   0.172
  378    HB3  PHE  44           2HB      PHE  44  -2.244   2.288  -0.517
  379    HD1  PHE  44           HD1      PHE  44  -3.956   1.200   2.583
  380    HD2  PHE  44           HD2      PHE  44  -0.874   3.566   0.858
  381    HE1  PHE  44           HE1      PHE  44  -3.163   1.776   4.831
  382    HE2  PHE  44           HE2      PHE  44  -0.065   4.154   3.104
  383    HZ   PHE  44           HZ       PHE  44  -1.222   3.264   5.101
  384    H    PHE  45           H        PHE  45  -4.282   3.105  -2.620
  385    HA   PHE  45           HA       PHE  45  -3.370   5.861  -2.350
  386    HB2  PHE  45           1HB      PHE  45  -3.556   3.962  -4.668
  387    HB3  PHE  45           2HB      PHE  45  -3.351   5.690  -4.939
  388    HD1  PHE  45           HD1      PHE  45  -1.853   2.869  -3.020
  389    HD2  PHE  45           HD2      PHE  45  -1.229   6.578  -5.008
  390    HE1  PHE  45           HE1      PHE  45   0.567   2.646  -2.676
  391    HE2  PHE  45           HE2      PHE  45   1.197   6.357  -4.667
  392    HZ   PHE  45           HZ       PHE  45   2.101   4.386  -3.500
  393    H    GLU  46           H        GLU  46  -5.877   4.222  -4.270
  394    HA   GLU  46           HA       GLU  46  -7.166   6.745  -4.793
  395    HB2  GLU  46           1HB      GLU  46  -7.893   3.926  -5.613
  396    HB3  GLU  46           2HB      GLU  46  -8.681   5.385  -6.207
  397    HG2  GLU  46           1HG      GLU  46  -6.599   6.125  -7.208
  398    HG3  GLU  46           2HG      GLU  46  -5.769   4.708  -6.569
  399    H    GLU  47           H        GLU  47  -8.021   3.731  -3.105
  400    HA   GLU  47           HA       GLU  47 -10.593   4.821  -2.306
  401    HB2  GLU  47           1HB      GLU  47 -10.101   2.382  -2.966
  402    HB3  GLU  47           2HB      GLU  47  -9.388   2.223  -1.366
  403    HG2  GLU  47           1HG      GLU  47 -11.552   2.941  -0.392
  404    HG3  GLU  47           2HG      GLU  47 -12.240   2.933  -2.014
  405    H    PHE  48           H        PHE  48  -7.710   5.549  -1.320
  406    HA   PHE  48           HA       PHE  48  -7.456   4.932   1.375
  407    HB2  PHE  48           1HB      PHE  48  -5.681   5.833  -0.080
  408    HB3  PHE  48           2HB      PHE  48  -6.491   7.390  -0.093
  409    HD1  PHE  48           HD1      PHE  48  -4.872   4.908   2.144
  410    HD2  PHE  48           HD2      PHE  48  -6.016   8.971   1.577
  411    HE1  PHE  48           HE1      PHE  48  -3.580   5.543   4.135
  412    HE2  PHE  48           HE2      PHE  48  -4.731   9.610   3.574
  413    HZ   PHE  48           HZ       PHE  48  -3.508   7.898   4.857
  414    H    GLU  49           H        GLU  49  -8.240   8.234   0.250
  415    HA   GLU  49           HA       GLU  49 -10.306   8.356   2.330
  416    HB2  GLU  49           1HB      GLU  49  -9.550  10.591   2.973
  417    HB3  GLU  49           2HB      GLU  49  -8.289   9.391   3.221
  418    HG2  GLU  49           1HG      GLU  49  -7.185  10.091   1.174
  419    HG3  GLU  49           2HG      GLU  49  -8.462  11.267   0.869
  420    H    GLN  50           H        GLN  50  -9.430   8.928  -0.870
  421    HA   GLN  50           HA       GLN  50 -11.046  11.256  -1.321
  422    HB2  GLN  50           1HB      GLN  50  -9.673   9.381  -3.250
  423    HB3  GLN  50           2HB      GLN  50 -10.437  10.903  -3.694
  424    HG2  GLN  50           1HG      GLN  50  -8.853  12.145  -2.406
  425    HG3  GLN  50           2HG      GLN  50  -8.162  10.668  -1.741
  426   HE21  GLN  50          1HE2      GLN  50  -9.111  11.003  -5.093
  427   HE22  GLN  50          2HE2      GLN  50  -7.504  10.978  -5.740
  428    H    ARG  51           H        ARG  51 -11.483   7.844  -1.409
  429    HA   ARG  51           HA       ARG  51 -13.930   8.070  -2.979
  430    HB2  ARG  51           1HB      ARG  51 -12.324   5.715  -2.016
  431    HB3  ARG  51           2HB      ARG  51 -13.908   5.536  -2.759
  432    HG2  ARG  51           1HG      ARG  51 -13.122   6.468  -4.807
  433    HG3  ARG  51           2HG      ARG  51 -11.584   6.915  -4.065
  434    HD2  ARG  51           1HD      ARG  51 -10.960   4.637  -3.796
  435    HD3  ARG  51           2HD      ARG  51 -12.564   4.083  -4.289
  436    HE   ARG  51           HE       ARG  51 -11.194   5.656  -6.280
  437   HH11  ARG  51          1HH1      ARG  51 -11.775   2.435  -5.021
  438   HH12  ARG  51          2HH1      ARG  51 -11.286   1.643  -6.487
  439   HH21  ARG  51          1HH2      ARG  51 -10.530   4.607  -8.196
  440   HH22  ARG  51          2HH2      ARG  51 -10.580   2.869  -8.278
  441    H    LYS  52           H        LYS  52 -15.424   8.960  -1.674
  442    HA   LYS  52           HA       LYS  52 -16.813   7.285   0.094
  443    HB2  LYS  52           1HB      LYS  52 -16.587   8.657   2.170
  444    HB3  LYS  52           2HB      LYS  52 -15.125   7.782   1.739
  445    HG2  LYS  52           1HG      LYS  52 -14.162   9.826   0.826
  446    HG3  LYS  52           2HG      LYS  52 -15.638  10.707   1.235
  447    HD2  LYS  52           1HD      LYS  52 -13.909  11.069   2.921
  448    HD3  LYS  52           2HD      LYS  52 -15.285  10.203   3.603
  449    HE2  LYS  52           1HE      LYS  52 -14.053   8.078   3.301
  450    HE3  LYS  52           2HE      LYS  52 -12.664   8.995   2.718
  451    HZ1  LYS  52           3HZ      LYS  52 -12.490   8.401   5.078
  452    HZ2  LYS  52           1HZ      LYS  52 -13.892   9.301   5.407
  453    HZ3  LYS  52           2HZ      LYS  52 -12.494  10.082   4.844
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1 -13.480 -12.810   4.330
    2    H2   MET   1           2H       MET   1 -12.674 -11.567   3.504
    3    H3   MET   1           3H       MET   1 -12.527 -11.700   5.188
    4    HA   MET   1           HA       MET   1 -11.284 -13.677   5.043
    5    HB2  MET   1           1HB      MET   1 -12.635 -14.561   3.109
    6    HB3  MET   1           2HB      MET   1 -11.675 -13.543   2.044
    7    HG2  MET   1           1HG      MET   1 -10.868 -15.827   2.020
    8    HG3  MET   1           2HG      MET   1  -9.657 -14.740   2.699
    9    HE1  MET   1           3HE      MET   1  -8.340 -16.836   3.614
   10    HE2  MET   1           1HE      MET   1  -9.565 -17.947   3.003
   11    HE3  MET   1           2HE      MET   1  -9.036 -18.055   4.682
   12    H    LYS   2           H        LYS   2 -10.817 -10.884   5.169
   13    HA   LYS   2           HA       LYS   2  -9.022  -9.463   5.205
   14    HB2  LYS   2           1HB      LYS   2  -7.646 -11.935   4.194
   15    HB3  LYS   2           2HB      LYS   2  -6.794 -10.401   4.256
   16    HG2  LYS   2           1HG      LYS   2  -6.322 -11.751   6.218
   17    HG3  LYS   2           2HG      LYS   2  -7.168 -10.270   6.660
   18    HD2  LYS   2           1HD      LYS   2  -9.245 -11.483   6.912
   19    HD3  LYS   2           2HD      LYS   2  -8.489 -12.965   6.323
   20    HE2  LYS   2           1HE      LYS   2  -7.107 -13.124   8.242
   21    HE3  LYS   2           2HE      LYS   2  -7.541 -11.499   8.774
   22    HZ1  LYS   2           3HZ      LYS   2  -8.700 -13.189  10.051
   23    HZ2  LYS   2           1HZ      LYS   2  -9.385 -13.827   8.633
   24    HZ3  LYS   2           2HZ      LYS   2  -9.799 -12.266   9.149
   25    H    GLN   3           H        GLN   3  -7.372  -8.397   3.696
   26    HA   GLN   3           HA       GLN   3  -8.473  -8.293   0.956
   27    HB2  GLN   3           1HB      GLN   3  -7.404  -6.038   2.664
   28    HB3  GLN   3           2HB      GLN   3  -7.768  -5.887   0.952
   29    HG2  GLN   3           1HG      GLN   3 -10.093  -6.310   1.352
   30    HG3  GLN   3           2HG      GLN   3  -9.776  -6.650   3.054
   31   HE21  GLN   3          1HE2      GLN   3  -7.834  -4.493   3.297
   32   HE22  GLN   3          2HE2      GLN   3  -8.745  -3.022   3.331
   33    H    TRP   4           H        TRP   4  -5.652  -7.215   2.794
   34    HA   TRP   4           HA       TRP   4  -3.926  -8.551   0.843
   35    HB2  TRP   4           1HB      TRP   4  -2.275  -6.667   1.151
   36    HB3  TRP   4           2HB      TRP   4  -3.722  -6.243   0.255
   37    HD1  TRP   4           HD1      TRP   4  -5.029  -6.063   3.556
   38    HE1  TRP   4           HE1      TRP   4  -4.852  -3.727   4.589
   39    HE3  TRP   4           HE3      TRP   4  -1.559  -4.053   0.384
   40    HZ2  TRP   4           HZ2      TRP   4  -3.422  -1.342   4.127
   41    HZ3  TRP   4           HZ3      TRP   4  -0.845  -1.733   0.754
   42    HH2  TRP   4           HH2      TRP   4  -1.759  -0.407   2.583
   43    H    SER   5           H        SER   5  -1.725  -8.993   1.752
   44    HA   SER   5           HA       SER   5  -1.761 -10.379   4.122
   45    HB2  SER   5           1HB      SER   5   0.660  -8.942   3.027
   46    HB3  SER   5           2HB      SER   5   0.638 -10.409   4.006
   47    HG   SER   5           HG       SER   5   0.877 -10.614   1.608
   48    H    GLU   6           H        GLU   6  -2.037  -9.719   6.186
   49    HA   GLU   6           HA       GLU   6  -2.425  -6.975   6.719
   50    HB2  GLU   6           1HB      GLU   6  -3.436  -9.091   7.852
   51    HB3  GLU   6           2HB      GLU   6  -2.038  -8.975   8.913
   52    HG2  GLU   6           1HG      GLU   6  -2.684  -6.801   9.648
   53    HG3  GLU   6           2HG      GLU   6  -3.967  -6.717   8.440
   54    H    ASN   7           H        ASN   7   0.372  -9.035   7.130
   55    HA   ASN   7           HA       ASN   7   1.967  -7.391   8.738
   56    HB2  ASN   7           1HB      ASN   7   2.778  -9.033   6.334
   57    HB3  ASN   7           2HB      ASN   7   3.912  -8.315   7.468
   58   HD21  ASN   7          1HD2      ASN   7   3.586 -11.068   6.763
   59   HD22  ASN   7          2HD2      ASN   7   3.193 -11.916   8.229
   60    H    VAL   8           H        VAL   8   1.014  -7.172   5.425
   61    HA   VAL   8           HA       VAL   8   2.948  -5.174   4.700
   62    HB   VAL   8           HB       VAL   8   0.520  -6.139   3.195
   63   HG11  VAL   8          1HG1      VAL   8   1.396  -4.045   2.364
   64   HG12  VAL   8          2HG1      VAL   8   1.729  -5.351   1.227
   65   HG13  VAL   8          3HG1      VAL   8   3.015  -4.741   2.268
   66   HG21  VAL   8          3HG2      VAL   8   3.360  -7.138   3.117
   67   HG22  VAL   8          1HG2      VAL   8   2.060  -7.650   2.040
   68   HG23  VAL   8          2HG2      VAL   8   1.967  -8.003   3.766
   69    H    GLU   9           H        GLU   9  -0.478  -5.315   5.517
   70    HA   GLU   9           HA       GLU   9  -1.297  -2.739   4.949
   71    HB2  GLU   9           1HB      GLU   9  -2.719  -4.597   5.852
   72    HB3  GLU   9           2HB      GLU   9  -1.983  -4.349   7.431
   73    HG2  GLU   9           1HG      GLU   9  -3.515  -2.206   5.980
   74    HG3  GLU   9           2HG      GLU   9  -4.276  -3.360   7.068
   75    H    GLU  10           H        GLU  10   0.239  -3.949   7.897
   76    HA   GLU  10           HA       GLU  10   0.696  -1.501   9.162
   77    HB2  GLU  10           1HB      GLU  10   0.957  -3.429  10.472
   78    HB3  GLU  10           2HB      GLU  10   2.000  -4.206   9.292
   79    HG2  GLU  10           1HG      GLU  10   3.798  -2.683   9.834
   80    HG3  GLU  10           2HG      GLU  10   2.757  -1.831  10.978
   81    H    LYS  11           H        LYS  11   3.006  -3.455   7.266
   82    HA   LYS  11           HA       LYS  11   5.112  -1.629   7.683
   83    HB2  LYS  11           1HB      LYS  11   5.261  -4.100   7.233
   84    HB3  LYS  11           2HB      LYS  11   4.972  -3.733   5.536
   85    HG2  LYS  11           1HG      LYS  11   7.002  -2.378   5.470
   86    HG3  LYS  11           2HG      LYS  11   7.284  -2.704   7.180
   87    HD2  LYS  11           1HD      LYS  11   7.400  -5.139   6.623
   88    HD3  LYS  11           2HD      LYS  11   7.300  -4.702   4.917
   89    HE2  LYS  11           1HE      LYS  11   9.604  -5.063   5.536
   90    HE3  LYS  11           2HE      LYS  11   9.346  -3.357   5.168
   91    HZ1  LYS  11           3HZ      LYS  11  10.702  -3.768   7.184
   92    HZ2  LYS  11           1HZ      LYS  11   9.350  -4.477   7.919
   93    HZ3  LYS  11           2HZ      LYS  11   9.322  -2.835   7.485
   94    H    LEU  12           H        LEU  12   3.026  -2.160   4.827
   95    HA   LEU  12           HA       LEU  12   4.541  -0.410   3.162
   96    HB2  LEU  12           1HB      LEU  12   3.140  -2.151   2.230
   97    HB3  LEU  12           2HB      LEU  12   1.701  -1.391   2.872
   98    HG   LEU  12           HG       LEU  12   2.269   0.600   1.402
   99   HD11  LEU  12          1HD1      LEU  12   4.120  -1.409   0.122
  100   HD12  LEU  12          2HD1      LEU  12   4.620   0.024   1.018
  101   HD13  LEU  12          3HD1      LEU  12   3.732   0.197  -0.496
  102   HD21  LEU  12          3HD2      LEU  12   1.355  -0.445  -0.617
  103   HD22  LEU  12          1HD2      LEU  12   0.490  -0.952   0.834
  104   HD23  LEU  12          2HD2      LEU  12   1.657  -2.038   0.078
  105    H    LYS  13           H        LYS  13   1.583  -0.024   5.055
  106    HA   LYS  13           HA       LYS  13   0.940   2.577   4.279
  107    HB2  LYS  13           1HB      LYS  13  -0.604   1.257   5.545
  108    HB3  LYS  13           2HB      LYS  13   0.533   1.099   6.872
  109    HG2  LYS  13           1HG      LYS  13   0.335   3.579   7.206
  110    HG3  LYS  13           2HG      LYS  13  -0.985   3.550   6.032
  111    HD2  LYS  13           1HD      LYS  13  -1.810   3.410   8.349
  112    HD3  LYS  13           2HD      LYS  13  -2.214   1.970   7.409
  113    HE2  LYS  13           1HE      LYS  13  -0.050   0.977   8.371
  114    HE3  LYS  13           2HE      LYS  13  -0.120   2.298   9.541
  115    HZ1  LYS  13           3HZ      LYS  13  -2.339   1.522  10.185
  116    HZ2  LYS  13           1HZ      LYS  13  -1.163   0.326  10.422
  117    HZ3  LYS  13           2HZ      LYS  13  -2.207   0.222   9.095
  118    H    GLU  14           H        GLU  14   3.068   1.383   6.812
  119    HA   GLU  14           HA       GLU  14   3.746   3.990   7.769
  120    HB2  GLU  14           1HB      GLU  14   4.993   1.283   8.266
  121    HB3  GLU  14           2HB      GLU  14   5.437   2.760   9.118
  122    HG2  GLU  14           1HG      GLU  14   3.196   2.960  10.009
  123    HG3  GLU  14           2HG      GLU  14   2.680   1.550   9.089
  124    H    PHE  15           H        PHE  15   4.709   2.193   5.086
  125    HA   PHE  15           HA       PHE  15   7.314   3.488   4.901
  126    HB2  PHE  15           1HB      PHE  15   7.103   1.105   4.317
  127    HB3  PHE  15           2HB      PHE  15   5.952   1.517   3.055
  128    HD1  PHE  15           HD1      PHE  15   9.218   3.035   4.008
  129    HD2  PHE  15           HD2      PHE  15   6.941   1.021   1.037
  130    HE1  PHE  15           HE1      PHE  15  11.083   3.268   2.423
  131    HE2  PHE  15           HE2      PHE  15   8.797   1.251  -0.550
  132    HZ   PHE  15           HZ       PHE  15  10.873   2.380   0.139
  133    H    VAL  16           H        VAL  16   4.141   3.509   3.342
  134    HA   VAL  16           HA       VAL  16   4.942   5.363   1.302
  135    HB   VAL  16           HB       VAL  16   2.151   4.619   2.189
  136   HG11  VAL  16          1HG1      VAL  16   2.189   6.694   0.929
  137   HG12  VAL  16          2HG1      VAL  16   1.468   5.403  -0.030
  138   HG13  VAL  16          3HG1      VAL  16   3.123   5.921  -0.349
  139   HG21  VAL  16          3HG2      VAL  16   3.873   3.469  -0.000
  140   HG22  VAL  16          1HG2      VAL  16   2.171   3.087   0.265
  141   HG23  VAL  16          2HG2      VAL  16   3.371   2.657   1.483
  142    H    LYS  17           H        LYS  17   3.392   5.635   4.457
  143    HA   LYS  17           HA       LYS  17   3.064   8.512   4.000
  144    HB2  LYS  17           1HB      LYS  17   1.771   6.570   5.865
  145    HB3  LYS  17           2HB      LYS  17   1.792   8.278   6.272
  146    HG2  LYS  17           1HG      LYS  17   0.642   7.101   3.754
  147    HG3  LYS  17           2HG      LYS  17  -0.280   7.600   5.171
  148    HD2  LYS  17           1HD      LYS  17   1.308   9.340   3.291
  149    HD3  LYS  17           2HD      LYS  17  -0.429   9.364   3.576
  150    HE2  LYS  17           1HE      LYS  17   1.752  10.234   5.465
  151    HE3  LYS  17           2HE      LYS  17   0.537  11.246   4.691
  152    HZ1  LYS  17           3HZ      LYS  17  -1.065   9.609   5.970
  153    HZ2  LYS  17           1HZ      LYS  17  -0.406  10.983   6.722
  154    HZ3  LYS  17           2HZ      LYS  17   0.284   9.461   6.990
  155    H    ARG  18           H        ARG  18   4.665   6.240   6.150
  156    HA   ARG  18           HA       ARG  18   5.507   8.475   7.836
  157    HB2  ARG  18           1HB      ARG  18   5.709   5.507   8.379
  158    HB3  ARG  18           2HB      ARG  18   6.041   6.802   9.525
  159    HG2  ARG  18           1HG      ARG  18   3.748   7.482   9.526
  160    HG3  ARG  18           2HG      ARG  18   3.368   6.374   8.210
  161    HD2  ARG  18           1HD      ARG  18   2.585   5.319  10.161
  162    HD3  ARG  18           2HD      ARG  18   4.099   4.512   9.767
  163    HE   ARG  18           HE       ARG  18   4.819   6.493  11.512
  164   HH11  ARG  18          1HH1      ARG  18   2.505   3.859  11.583
  165   HH12  ARG  18          2HH1      ARG  18   2.625   3.627  13.301
  166   HH21  ARG  18          1HH2      ARG  18   4.987   6.183  13.781
  167   HH22  ARG  18          2HH2      ARG  18   4.054   4.929  14.539
  168    H    HIS  19           H        HIS  19   6.608   6.651   5.304
  169    HA   HIS  19           HA       HIS  19   9.356   7.546   5.849
  170    HB2  HIS  19           1HB      HIS  19   8.363   5.179   4.274
  171    HB3  HIS  19           2HB      HIS  19   9.962   5.858   3.994
  172    HD1  HIS  19           HD1      HIS  19   7.956   4.150   6.738
  173    HD2  HIS  19           HD2      HIS  19  11.882   5.074   5.733
  174    HE1  HIS  19           HE1      HIS  19   9.421   2.938   8.404
  175    H    GLN  20           H        GLN  20   7.767   9.422   5.130
  176    HA   GLN  20           HA       GLN  20   7.421  11.113   3.729
  177    HB2  GLN  20           1HB      GLN  20   9.618   9.756   2.217
  178    HB3  GLN  20           2HB      GLN  20   8.836  11.198   1.582
  179    HG2  GLN  20           1HG      GLN  20  10.666  12.063   2.674
  180    HG3  GLN  20           2HG      GLN  20   9.413  12.205   3.904
  181   HE21  GLN  20          1HE2      GLN  20  10.842  12.175   5.620
  182   HE22  GLN  20          2HE2      GLN  20  11.723  10.749   6.074
  183    H    ARG  21           H        ARG  21   7.829   8.414   1.457
  184    HA   ARG  21           HA       ARG  21   5.309   7.910   0.636
  185    HB2  ARG  21           1HB      ARG  21   6.119  10.572  -0.319
  186    HB3  ARG  21           2HB      ARG  21   5.604   9.496  -1.611
  187    HG2  ARG  21           1HG      ARG  21   3.479   9.126  -0.485
  188    HG3  ARG  21           2HG      ARG  21   3.996  10.155   0.851
  189    HD2  ARG  21           1HD      ARG  21   2.559  11.425  -0.593
  190    HD3  ARG  21           2HD      ARG  21   4.202  12.041  -0.744
  191    HE   ARG  21           HE       ARG  21   4.306  10.647  -2.843
  192   HH11  ARG  21          1HH1      ARG  21   1.266  11.897  -1.608
  193   HH12  ARG  21          2HH1      ARG  21   0.509  11.952  -3.179
  194   HH21  ARG  21          1HH2      ARG  21   3.316  10.704  -4.885
  195   HH22  ARG  21          2HH2      ARG  21   1.669  11.242  -5.045
  196    H    ILE  22           H        ILE  22   5.246   7.261  -1.824
  197    HA   ILE  22           HA       ILE  22   7.776   6.786  -3.074
  198    HB   ILE  22           HB       ILE  22   7.826   4.967  -1.430
  199   HG12  ILE  22          1HG1      ILE  22   7.247   3.909  -4.209
  200   HG13  ILE  22          2HG1      ILE  22   8.774   4.631  -3.709
  201   HG21  ILE  22          1HG2      ILE  22   5.456   4.687  -1.033
  202   HG22  ILE  22          2HG2      ILE  22   6.161   3.147  -1.530
  203   HG23  ILE  22          3HG2      ILE  22   5.221   4.101  -2.679
  204   HD11  ILE  22          3HD1      ILE  22   9.144   2.847  -2.139
  205   HD12  ILE  22          1HD1      ILE  22   8.831   2.182  -3.742
  206   HD13  ILE  22          2HD1      ILE  22   7.565   2.154  -2.514
  207    H    THR  23           H        THR  23   7.549   6.141  -5.241
  208    HA   THR  23           HA       THR  23   5.030   6.772  -6.435
  209    HB   THR  23           HB       THR  23   6.319   6.049  -8.559
  210    HG1  THR  23           HG1      THR  23   8.615   6.041  -8.208
  211   HG21  THR  23          3HG2      THR  23   7.360   8.321  -6.859
  212   HG22  THR  23          1HG2      THR  23   5.942   8.384  -7.906
  213   HG23  THR  23          2HG2      THR  23   7.545   8.166  -8.605
  214    H    GLN  24           H        GLN  24   3.953   5.386  -8.004
  215    HA   GLN  24           HA       GLN  24   3.142   2.972  -6.825
  216    HB2  GLN  24           1HB      GLN  24   1.721   4.315  -8.310
  217    HB3  GLN  24           2HB      GLN  24   2.756   3.912  -9.672
  218    HG2  GLN  24           1HG      GLN  24   2.184   1.515  -9.302
  219    HG3  GLN  24           2HG      GLN  24   1.021   2.036  -8.085
  220   HE21  GLN  24          1HE2      GLN  24  -0.839   3.147  -8.749
  221   HE22  GLN  24          2HE2      GLN  24  -1.374   3.120 -10.396
  222    H    GLU  25           H        GLU  25   5.462   3.621  -9.395
  223    HA   GLU  25           HA       GLU  25   5.776   1.131 -10.521
  224    HB2  GLU  25           1HB      GLU  25   6.896   3.108 -11.372
  225    HB3  GLU  25           2HB      GLU  25   7.891   3.204  -9.928
  226    HG2  GLU  25           1HG      GLU  25   9.083   2.307 -11.881
  227    HG3  GLU  25           2HG      GLU  25   9.046   1.192 -10.518
  228    H    GLU  26           H        GLU  26   7.819   2.378  -7.858
  229    HA   GLU  26           HA       GLU  26   8.872  -0.258  -7.404
  230    HB2  GLU  26           1HB      GLU  26  10.230   1.810  -7.148
  231    HB3  GLU  26           2HB      GLU  26   9.258   2.241  -5.749
  232    HG2  GLU  26           1HG      GLU  26  10.153   0.570  -4.441
  233    HG3  GLU  26           2HG      GLU  26  10.640  -0.399  -5.833
  234    H    LEU  27           H        LEU  27   6.243   1.611  -6.198
  235    HA   LEU  27           HA       LEU  27   5.887   0.276  -3.729
  236    HB2  LEU  27           1HB      LEU  27   4.760   2.405  -4.366
  237    HB3  LEU  27           2HB      LEU  27   3.777   1.513  -5.506
  238    HG   LEU  27           HG       LEU  27   3.706   0.732  -2.613
  239   HD11  LEU  27          1HD1      LEU  27   2.170   3.023  -3.832
  240   HD12  LEU  27          2HD1      LEU  27   3.442   3.163  -2.618
  241   HD13  LEU  27          3HD1      LEU  27   1.928   2.351  -2.219
  242   HD21  LEU  27          3HD2      LEU  27   2.531  -0.648  -4.267
  243   HD22  LEU  27          1HD2      LEU  27   1.637   0.769  -4.816
  244   HD23  LEU  27          2HD2      LEU  27   1.394   0.152  -3.183
  245    H    HIS  28           H        HIS  28   4.768  -0.381  -7.023
  246    HA   HIS  28           HA       HIS  28   3.198  -2.645  -6.325
  247    HB2  HIS  28           1HB      HIS  28   3.148  -1.276  -8.519
  248    HB3  HIS  28           2HB      HIS  28   4.501  -2.289  -9.019
  249    HD1  HIS  28           HD1      HIS  28   3.555  -5.038  -8.035
  250    HD2  HIS  28           HD2      HIS  28   1.079  -2.282  -9.915
  251    HE1  HIS  28           HE1      HIS  28   1.600  -6.350  -8.938
  252    H    GLN  29           H        GLN  29   6.562  -2.187  -7.231
  253    HA   GLN  29           HA       GLN  29   7.411  -4.845  -7.360
  254    HB2  GLN  29           1HB      GLN  29   8.876  -2.959  -7.908
  255    HB3  GLN  29           2HB      GLN  29   8.848  -2.426  -6.234
  256    HG2  GLN  29           1HG      GLN  29   9.840  -4.740  -5.706
  257    HG3  GLN  29           2HG      GLN  29  10.203  -4.809  -7.430
  258   HE21  GLN  29          1HE2      GLN  29  10.912  -3.286  -4.411
  259   HE22  GLN  29          2HE2      GLN  29  12.346  -2.456  -4.911
  260    H    TYR  30           H        TYR  30   7.154  -2.647  -4.617
  261    HA   TYR  30           HA       TYR  30   7.988  -4.447  -2.614
  262    HB2  TYR  30           1HB      TYR  30   7.654  -1.824  -2.666
  263    HB3  TYR  30           2HB      TYR  30   6.060  -2.229  -2.049
  264    HD1  TYR  30           HD1      TYR  30   9.512  -3.490  -1.345
  265    HD2  TYR  30           HD2      TYR  30   5.926  -1.817   0.216
  266    HE1  TYR  30           HE1      TYR  30  10.465  -3.579   0.919
  267    HE2  TYR  30           HE2      TYR  30   6.865  -1.911   2.486
  268    HH   TYR  30           HH       TYR  30  10.165  -2.478   3.088
  269    H    ALA  31           H        ALA  31   4.898  -3.805  -4.131
  270    HA   ALA  31           HA       ALA  31   3.234  -5.111  -2.259
  271    HB1  ALA  31           3HB      ALA  31   2.798  -4.707  -5.220
  272    HB2  ALA  31           1HB      ALA  31   2.371  -3.560  -3.950
  273    HB3  ALA  31           2HB      ALA  31   1.560  -5.124  -4.035
  274    H    GLN  32           H        GLN  32   4.691  -6.237  -5.306
  275    HA   GLN  32           HA       GLN  32   3.667  -8.874  -5.133
  276    HB2  GLN  32           1HB      GLN  32   4.452  -7.877  -7.236
  277    HB3  GLN  32           2HB      GLN  32   6.093  -7.834  -6.611
  278    HG2  GLN  32           1HG      GLN  32   6.148 -10.259  -6.530
  279    HG3  GLN  32           2HG      GLN  32   4.479 -10.329  -7.096
  280   HE21  GLN  32          1HE2      GLN  32   4.018  -9.827  -9.238
  281   HE22  GLN  32          2HE2      GLN  32   5.244  -9.746 -10.459
  282    H    ARG  33           H        ARG  33   6.556  -7.324  -3.921
  283    HA   ARG  33           HA       ARG  33   7.976  -9.621  -3.144
  284    HB2  ARG  33           1HB      ARG  33   9.062  -7.463  -3.225
  285    HB3  ARG  33           2HB      ARG  33   7.960  -6.812  -2.024
  286    HG2  ARG  33           1HG      ARG  33  10.091  -7.221  -1.003
  287    HG3  ARG  33           2HG      ARG  33   8.921  -8.370  -0.356
  288    HD2  ARG  33           1HD      ARG  33  11.142  -9.357  -0.887
  289    HD3  ARG  33           2HD      ARG  33   9.799 -10.130  -1.724
  290    HE   ARG  33           HE       ARG  33  10.886  -8.087  -3.346
  291   HH11  ARG  33          1HH1      ARG  33  11.675 -11.274  -2.123
  292   HH12  ARG  33          2HH1      ARG  33  12.664 -11.689  -3.490
  293   HH21  ARG  33          1HH2      ARG  33  12.192  -8.620  -5.128
  294   HH22  ARG  33          2HH2      ARG  33  12.940 -10.186  -5.212
  295    H    LEU  34           H        LEU  34   5.485  -7.728  -1.528
  296    HA   LEU  34           HA       LEU  34   5.820  -9.276   0.915
  297    HB2  LEU  34           1HB      LEU  34   4.144  -6.854   0.301
  298    HB3  LEU  34           2HB      LEU  34   4.258  -7.618   1.874
  299    HG   LEU  34           HG       LEU  34   6.535  -6.295   0.391
  300   HD11  LEU  34          1HD1      LEU  34   5.023  -5.441   2.855
  301   HD12  LEU  34          2HD1      LEU  34   4.910  -4.698   1.261
  302   HD13  LEU  34          3HD1      LEU  34   6.424  -4.623   2.161
  303   HD21  LEU  34          3HD2      LEU  34   6.447  -7.544   3.135
  304   HD22  LEU  34          1HD2      LEU  34   7.801  -6.636   2.459
  305   HD23  LEU  34          2HD2      LEU  34   7.314  -8.169   1.733
  306    H    GLY  35           H        GLY  35   3.898  -9.413  -1.848
  307    HA2  GLY  35           1HA      GLY  35   2.524 -11.307  -2.221
  308    HA3  GLY  35           2HA      GLY  35   2.242 -11.417  -0.486
  309    H    LEU  36           H        LEU  36   1.840  -8.614  -2.649
  310    HA   LEU  36           HA       LEU  36  -0.859  -8.361  -1.554
  311    HB2  LEU  36           1HB      LEU  36   0.787  -6.366  -3.094
  312    HB3  LEU  36           2HB      LEU  36  -0.809  -6.076  -2.432
  313    HG   LEU  36           HG       LEU  36   1.753  -6.509  -0.911
  314   HD11  LEU  36          1HD1      LEU  36   1.187  -4.328   0.030
  315   HD12  LEU  36          2HD1      LEU  36  -0.266  -4.267  -0.967
  316   HD13  LEU  36          3HD1      LEU  36   1.325  -4.255  -1.726
  317   HD21  LEU  36          3HD2      LEU  36  -1.090  -6.546   0.097
  318   HD22  LEU  36          1HD2      LEU  36   0.329  -6.340   1.127
  319   HD23  LEU  36          2HD2      LEU  36   0.109  -7.832   0.214
  320    H    ASN  37           H        ASN  37  -2.618  -8.595  -2.668
  321    HA   ASN  37           HA       ASN  37  -2.553  -9.035  -5.521
  322    HB2  ASN  37           1HB      ASN  37  -5.097  -9.098  -5.214
  323    HB3  ASN  37           2HB      ASN  37  -4.167 -10.376  -4.447
  324   HD21  ASN  37          1HD2      ASN  37  -4.335  -7.115  -3.126
  325   HD22  ASN  37          2HD2      ASN  37  -5.301  -7.545  -1.748
  326    H    GLU  38           H        GLU  38  -3.904  -7.730  -6.987
  327    HA   GLU  38           HA       GLU  38  -3.065  -5.020  -6.763
  328    HB2  GLU  38           1HB      GLU  38  -3.494  -6.526  -8.857
  329    HB3  GLU  38           2HB      GLU  38  -5.137  -5.909  -8.730
  330    HG2  GLU  38           1HG      GLU  38  -4.201  -3.604  -8.803
  331    HG3  GLU  38           2HG      GLU  38  -2.618  -4.317  -9.127
  332    H    GLU  39           H        GLU  39  -5.794  -6.648  -5.643
  333    HA   GLU  39           HA       GLU  39  -7.837  -4.794  -5.629
  334    HB2  GLU  39           1HB      GLU  39  -8.365  -6.912  -4.793
  335    HB3  GLU  39           2HB      GLU  39  -6.954  -6.958  -3.749
  336    HG2  GLU  39           1HG      GLU  39  -7.962  -5.542  -2.148
  337    HG3  GLU  39           2HG      GLU  39  -9.268  -5.102  -3.257
  338    H    ALA  40           H        ALA  40  -5.352  -5.285  -3.162
  339    HA   ALA  40           HA       ALA  40  -6.142  -2.978  -1.671
  340    HB1  ALA  40           3HB      ALA  40  -3.677  -4.691  -1.409
  341    HB2  ALA  40           1HB      ALA  40  -5.214  -4.968  -0.592
  342    HB3  ALA  40           2HB      ALA  40  -4.270  -3.525  -0.224
  343    H    ILE  41           H        ILE  41  -3.778  -3.682  -4.129
  344    HA   ILE  41           HA       ILE  41  -2.001  -1.570  -3.712
  345    HB   ILE  41           HB       ILE  41  -2.789  -2.843  -6.338
  346   HG12  ILE  41          1HG1      ILE  41  -0.537  -3.465  -4.409
  347   HG13  ILE  41          2HG1      ILE  41  -1.954  -4.467  -4.705
  348   HG21  ILE  41          1HG2      ILE  41  -1.683  -0.709  -6.698
  349   HG22  ILE  41          2HG2      ILE  41  -0.616  -2.036  -7.157
  350   HG23  ILE  41          3HG2      ILE  41  -0.364  -1.190  -5.631
  351   HD11  ILE  41          3HD1      ILE  41   0.242  -3.837  -6.662
  352   HD12  ILE  41          1HD1      ILE  41  -1.211  -4.765  -7.035
  353   HD13  ILE  41          2HD1      ILE  41  -0.053  -5.377  -5.856
  354    H    ARG  42           H        ARG  42  -4.872  -1.705  -5.840
  355    HA   ARG  42           HA       ARG  42  -4.708   1.099  -6.441
  356    HB2  ARG  42           1HB      ARG  42  -5.714  -0.344  -8.086
  357    HB3  ARG  42           2HB      ARG  42  -6.892  -0.935  -6.921
  358    HG2  ARG  42           1HG      ARG  42  -7.781   1.392  -6.772
  359    HG3  ARG  42           2HG      ARG  42  -6.699   1.818  -8.097
  360    HD2  ARG  42           1HD      ARG  42  -7.843   0.478  -9.623
  361    HD3  ARG  42           2HD      ARG  42  -8.635  -0.452  -8.349
  362    HE   ARG  42           HE       ARG  42  -9.403   2.265  -8.176
  363   HH11  ARG  42          1HH1      ARG  42  -9.864  -0.512 -10.269
  364   HH12  ARG  42          2HH1      ARG  42 -11.497  -0.082 -10.679
  365   HH21  ARG  42          1HH2      ARG  42 -11.541   2.805  -8.672
  366   HH22  ARG  42          2HH2      ARG  42 -12.460   1.802  -9.760
  367    H    GLN  43           H        GLN  43  -6.467  -0.913  -4.175
  368    HA   GLN  43           HA       GLN  43  -8.443   0.823  -3.305
  369    HB2  GLN  43           1HB      GLN  43  -8.180  -1.583  -2.661
  370    HB3  GLN  43           2HB      GLN  43  -6.882  -1.100  -1.578
  371    HG2  GLN  43           1HG      GLN  43  -8.518   0.375  -0.402
  372    HG3  GLN  43           2HG      GLN  43  -9.785  -0.352  -1.391
  373   HE21  GLN  43          1HE2      GLN  43 -10.847  -1.261   0.349
  374   HE22  GLN  43          2HE2      GLN  43 -10.197  -2.598   1.243
  375    H    PHE  44           H        PHE  44  -5.093   0.516  -2.212
  376    HA   PHE  44           HA       PHE  44  -5.251   2.259  -0.026
  377    HB2  PHE  44           1HB      PHE  44  -3.397   0.592  -0.677
  378    HB3  PHE  44           2HB      PHE  44  -2.761   1.896  -1.673
  379    HD1  PHE  44           HD1      PHE  44  -3.824   1.142   1.801
  380    HD2  PHE  44           HD2      PHE  44  -1.302   3.443  -0.740
  381    HE1  PHE  44           HE1      PHE  44  -2.684   2.060   3.776
  382    HE2  PHE  44           HE2      PHE  44  -0.155   4.365   1.234
  383    HZ   PHE  44           HZ       PHE  44  -0.853   3.679   3.493
  384    H    PHE  45           H        PHE  45  -4.370   2.880  -3.409
  385    HA   PHE  45           HA       PHE  45  -3.753   5.623  -3.006
  386    HB2  PHE  45           1HB      PHE  45  -4.510   4.131  -5.517
  387    HB3  PHE  45           2HB      PHE  45  -3.967   5.800  -5.492
  388    HD1  PHE  45           HD1      PHE  45  -1.669   6.066  -4.049
  389    HD2  PHE  45           HD2      PHE  45  -2.956   2.592  -6.142
  390    HE1  PHE  45           HE1      PHE  45   0.667   5.305  -4.219
  391    HE2  PHE  45           HE2      PHE  45  -0.627   1.826  -6.315
  392    HZ   PHE  45           HZ       PHE  45   1.189   3.185  -5.353
  393    H    GLU  46           H        GLU  46  -6.699   3.910  -3.814
  394    HA   GLU  46           HA       GLU  46  -8.006   6.307  -4.701
  395    HB2  GLU  46           1HB      GLU  46  -8.316   3.797  -5.452
  396    HB3  GLU  46           2HB      GLU  46  -9.518   3.800  -4.167
  397    HG2  GLU  46           1HG      GLU  46 -10.830   5.391  -5.223
  398    HG3  GLU  46           2HG      GLU  46  -9.495   5.942  -6.239
  399    H    GLU  47           H        GLU  47  -8.365   4.122  -1.913
  400    HA   GLU  47           HA       GLU  47 -10.168   6.091  -0.700
  401    HB2  GLU  47           1HB      GLU  47  -9.559   3.222   0.021
  402    HB3  GLU  47           2HB      GLU  47 -10.589   4.272   0.986
  403    HG2  GLU  47           1HG      GLU  47 -12.040   4.576  -1.006
  404    HG3  GLU  47           2HG      GLU  47 -11.055   3.383  -1.849
  405    H    PHE  48           H        PHE  48  -7.600   6.883  -0.930
  406    HA   PHE  48           HA       PHE  48  -5.945   6.395   1.297
  407    HB2  PHE  48           1HB      PHE  48  -5.616   7.683  -1.046
  408    HB3  PHE  48           2HB      PHE  48  -5.882   9.065   0.009
  409    HD1  PHE  48           HD1      PHE  48  -3.835   5.970  -0.224
  410    HD2  PHE  48           HD2      PHE  48  -4.090  10.005   1.112
  411    HE1  PHE  48           HE1      PHE  48  -1.472   5.898   0.448
  412    HE2  PHE  48           HE2      PHE  48  -1.725   9.934   1.787
  413    HZ   PHE  48           HZ       PHE  48  -0.415   7.874   1.449
  414    H    GLU  49           H        GLU  49  -5.402   7.992   2.964
  415    HA   GLU  49           HA       GLU  49  -7.658   8.654   4.510
  416    HB2  GLU  49           1HB      GLU  49  -6.050   9.648   6.063
  417    HB3  GLU  49           2HB      GLU  49  -5.487   8.088   5.475
  418    HG2  GLU  49           1HG      GLU  49  -3.998   9.187   3.906
  419    HG3  GLU  49           2HG      GLU  49  -4.580  10.763   4.438
  420    H    GLN  50           H        GLN  50  -6.128  10.364   2.005
  421    HA   GLN  50           HA       GLN  50  -6.711  13.012   2.928
  422    HB2  GLN  50           1HB      GLN  50  -5.979  11.982   0.183
  423    HB3  GLN  50           2HB      GLN  50  -6.092  13.682   0.617
  424    HG2  GLN  50           1HG      GLN  50  -4.194  11.685   1.829
  425    HG3  GLN  50           2HG      GLN  50  -3.786  12.885   0.604
  426   HE21  GLN  50          1HE2      GLN  50  -5.462  14.943   1.761
  427   HE22  GLN  50          2HE2      GLN  50  -4.662  15.488   3.194
  428    H    ARG  51           H        ARG  51  -8.530  10.535   1.455
  429    HA   ARG  51           HA       ARG  51 -10.533  12.463   0.490
  430    HB2  ARG  51           1HB      ARG  51 -10.101   9.558  -0.228
  431    HB3  ARG  51           2HB      ARG  51 -11.449  10.530  -0.806
  432    HG2  ARG  51           1HG      ARG  51  -9.901  12.034  -1.925
  433    HG3  ARG  51           2HG      ARG  51  -8.540  11.099  -1.308
  434    HD2  ARG  51           1HD      ARG  51  -9.260   9.161  -2.566
  435    HD3  ARG  51           2HD      ARG  51 -10.691  10.029  -3.127
  436    HE   ARG  51           HE       ARG  51  -8.904  11.634  -4.107
  437   HH11  ARG  51          1HH1      ARG  51  -8.661   8.143  -3.919
  438   HH12  ARG  51          2HH1      ARG  51  -7.621   8.012  -5.312
  439   HH21  ARG  51          1HH2      ARG  51  -7.541  11.459  -5.931
  440   HH22  ARG  51          2HH2      ARG  51  -6.992   9.897  -6.455
  441    H    LYS  52           H        LYS  52 -12.195  12.778   1.770
  442    HA   LYS  52           HA       LYS  52 -13.179  10.565   3.433
  443    HB2  LYS  52           1HB      LYS  52 -13.572  12.223   5.266
  444    HB3  LYS  52           2HB      LYS  52 -11.869  11.954   4.915
  445    HG2  LYS  52           1HG      LYS  52 -11.817  14.019   3.604
  446    HG3  LYS  52           2HG      LYS  52 -13.520  14.291   3.977
  447    HD2  LYS  52           1HD      LYS  52 -12.972  14.392   6.367
  448    HD3  LYS  52           2HD      LYS  52 -11.268  14.139   5.980
  449    HE2  LYS  52           1HE      LYS  52 -11.266  16.209   4.667
  450    HE3  LYS  52           2HE      LYS  52 -12.962  16.465   5.074
  451    HZ1  LYS  52           3HZ      LYS  52 -12.356  16.646   7.394
  452    HZ2  LYS  52           1HZ      LYS  52 -11.480  17.769   6.471
  453    HZ3  LYS  52           2HZ      LYS  52 -10.723  16.355   7.023
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1 -10.735  -5.707   4.343
    2    H2   MET   1           2H       MET   1 -12.310  -5.903   4.932
    3    H3   MET   1           3H       MET   1 -11.717  -6.943   3.734
    4    HA   MET   1           HA       MET   1 -10.596  -6.719   6.464
    5    HB2  MET   1           1HB      MET   1 -12.405  -8.871   5.330
    6    HB3  MET   1           2HB      MET   1 -11.668  -8.886   6.926
    7    HG2  MET   1           1HG      MET   1 -13.753  -6.969   5.908
    8    HG3  MET   1           2HG      MET   1 -13.966  -8.235   7.114
    9    HE1  MET   1           3HE      MET   1 -11.449  -8.022   8.969
   10    HE2  MET   1           1HE      MET   1 -13.100  -8.109   9.585
   11    HE3  MET   1           2HE      MET   1 -12.000  -6.865  10.180
   12    H    LYS   2           H        LYS   2 -11.032  -9.334   4.068
   13    HA   LYS   2           HA       LYS   2  -8.166  -9.900   4.292
   14    HB2  LYS   2           1HB      LYS   2 -10.459 -11.475   3.116
   15    HB3  LYS   2           2HB      LYS   2  -8.782 -11.943   2.896
   16    HG2  LYS   2           1HG      LYS   2  -9.533 -13.253   4.663
   17    HG3  LYS   2           2HG      LYS   2  -8.626 -11.955   5.437
   18    HD2  LYS   2           1HD      LYS   2 -10.697 -10.791   5.957
   19    HD3  LYS   2           2HD      LYS   2 -11.628 -12.042   5.129
   20    HE2  LYS   2           1HE      LYS   2 -11.694 -12.406   7.519
   21    HE3  LYS   2           2HE      LYS   2 -10.788 -13.700   6.738
   22    HZ1  LYS   2           3HZ      LYS   2  -8.736 -12.667   7.410
   23    HZ2  LYS   2           1HZ      LYS   2  -9.723 -12.873   8.775
   24    HZ3  LYS   2           2HZ      LYS   2  -9.566 -11.341   8.066
   25    H    GLN   3           H        GLN   3  -7.058  -8.554   2.995
   26    HA   GLN   3           HA       GLN   3  -7.772  -8.601   0.141
   27    HB2  GLN   3           1HB      GLN   3  -6.785  -6.169   1.647
   28    HB3  GLN   3           2HB      GLN   3  -7.095  -6.251  -0.080
   29    HG2  GLN   3           1HG      GLN   3  -9.471  -6.692   0.396
   30    HG3  GLN   3           2HG      GLN   3  -9.135  -6.513   2.118
   31   HE21  GLN   3          1HE2      GLN   3  -7.620  -4.582  -0.374
   32   HE22  GLN   3          2HE2      GLN   3  -8.390  -3.096   0.042
   33    H    TRP   4           H        TRP   4  -5.212  -7.415   2.291
   34    HA   TRP   4           HA       TRP   4  -3.253  -8.842   0.632
   35    HB2  TRP   4           1HB      TRP   4  -1.658  -6.961   1.317
   36    HB3  TRP   4           2HB      TRP   4  -2.864  -6.584   0.098
   37    HD1  TRP   4           HD1      TRP   4  -4.604  -6.484   3.334
   38    HE1  TRP   4           HE1      TRP   4  -4.838  -4.068   4.188
   39    HE3  TRP   4           HE3      TRP   4  -1.238  -4.231   0.235
   40    HZ2  TRP   4           HZ2      TRP   4  -3.722  -1.543   3.610
   41    HZ3  TRP   4           HZ3      TRP   4  -0.873  -1.812   0.452
   42    HH2  TRP   4           HH2      TRP   4  -2.090  -0.495   2.107
   43    H    SER   5           H        SER   5  -1.097  -9.040   1.913
   44    HA   SER   5           HA       SER   5  -1.491 -10.498   4.244
   45    HB2  SER   5           1HB      SER   5   1.020  -8.996   3.458
   46    HB3  SER   5           2HB      SER   5   0.922 -10.364   4.562
   47    HG   SER   5           HG       SER   5   1.402 -10.522   2.050
   48    H    GLU   6           H        GLU   6  -2.101  -9.870   6.191
   49    HA   GLU   6           HA       GLU   6  -2.843  -7.367   6.958
   50    HB2  GLU   6           1HB      GLU   6  -3.483  -9.362   8.171
   51    HB3  GLU   6           2HB      GLU   6  -1.828  -9.603   8.715
   52    HG2  GLU   6           1HG      GLU   6  -1.961  -7.496   9.976
   53    HG3  GLU   6           2HG      GLU   6  -3.642  -7.322   9.468
   54    H    ASN   7           H        ASN   7   0.359  -8.814   7.493
   55    HA   ASN   7           HA       ASN   7   1.305  -6.689   9.131
   56    HB2  ASN   7           1HB      ASN   7   2.799  -8.765   7.533
   57    HB3  ASN   7           2HB      ASN   7   3.571  -7.648   8.650
   58   HD21  ASN   7          1HD2      ASN   7   3.119  -7.834  10.881
   59   HD22  ASN   7          2HD2      ASN   7   2.550  -9.335  11.546
   60    H    VAL   8           H        VAL   8   1.059  -7.119   5.717
   61    HA   VAL   8           HA       VAL   8   3.033  -5.124   5.073
   62    HB   VAL   8           HB       VAL   8   0.908  -6.323   3.298
   63   HG11  VAL   8          1HG1      VAL   8   2.450  -5.633   1.486
   64   HG12  VAL   8          2HG1      VAL   8   3.430  -4.793   2.690
   65   HG13  VAL   8          3HG1      VAL   8   1.768  -4.281   2.387
   66   HG21  VAL   8          3HG2      VAL   8   2.303  -8.079   4.188
   67   HG22  VAL   8          1HG2      VAL   8   3.760  -7.178   3.771
   68   HG23  VAL   8          2HG2      VAL   8   2.713  -7.800   2.497
   69    H    GLU   9           H        GLU   9  -0.430  -5.325   5.514
   70    HA   GLU   9           HA       GLU   9  -1.267  -2.903   4.469
   71    HB2  GLU   9           1HB      GLU   9  -2.835  -4.548   5.355
   72    HB3  GLU   9           2HB      GLU   9  -2.202  -4.308   6.982
   73    HG2  GLU   9           1HG      GLU   9  -3.053  -2.070   7.050
   74    HG3  GLU   9           2HG      GLU   9  -3.526  -2.150   5.355
   75    H    GLU  10           H        GLU  10  -0.009  -3.605   7.690
   76    HA   GLU  10           HA       GLU  10  -0.096  -0.916   8.581
   77    HB2  GLU  10           1HB      GLU  10  -0.174  -2.737  10.163
   78    HB3  GLU  10           2HB      GLU  10   1.395  -3.330   9.628
   79    HG2  GLU  10           1HG      GLU  10   2.499  -1.421  10.533
   80    HG3  GLU  10           2HG      GLU  10   0.963  -0.625  10.874
   81    H    LYS  11           H        LYS  11   2.488  -2.955   7.242
   82    HA   LYS  11           HA       LYS  11   4.510  -1.014   7.773
   83    HB2  LYS  11           1HB      LYS  11   4.515  -3.533   6.139
   84    HB3  LYS  11           2HB      LYS  11   5.926  -2.491   6.281
   85    HG2  LYS  11           1HG      LYS  11   5.710  -2.748   8.781
   86    HG3  LYS  11           2HG      LYS  11   4.531  -4.018   8.460
   87    HD2  LYS  11           1HD      LYS  11   7.360  -3.998   7.420
   88    HD3  LYS  11           2HD      LYS  11   6.828  -4.865   8.859
   89    HE2  LYS  11           1HE      LYS  11   5.294  -6.190   7.498
   90    HE3  LYS  11           2HE      LYS  11   5.801  -5.306   6.057
   91    HZ1  LYS  11           3HZ      LYS  11   7.620  -6.917   7.759
   92    HZ2  LYS  11           1HZ      LYS  11   8.005  -6.169   6.286
   93    HZ3  LYS  11           2HZ      LYS  11   6.918  -7.472   6.320
   94    H    LEU  12           H        LEU  12   2.476  -1.671   4.977
   95    HA   LEU  12           HA       LEU  12   4.019   0.008   3.240
   96    HB2  LEU  12           1HB      LEU  12   2.437  -1.779   2.451
   97    HB3  LEU  12           2HB      LEU  12   1.111  -0.741   2.940
   98    HG   LEU  12           HG       LEU  12   1.863   0.970   1.331
   99   HD11  LEU  12          1HD1      LEU  12   3.902  -1.106   0.530
  100   HD12  LEU  12          2HD1      LEU  12   4.242   0.437   1.312
  101   HD13  LEU  12          3HD1      LEU  12   3.579   0.404  -0.322
  102   HD21  LEU  12          3HD2      LEU  12   1.172  -0.181  -0.674
  103   HD22  LEU  12          1HD2      LEU  12   0.206  -0.745   0.689
  104   HD23  LEU  12          2HD2      LEU  12   1.519  -1.745   0.063
  105    H    LYS  13           H        LYS  13   1.279   0.430   5.395
  106    HA   LYS  13           HA       LYS  13   0.636   3.090   4.972
  107    HB2  LYS  13           1HB      LYS  13  -0.505   1.652   6.584
  108    HB3  LYS  13           2HB      LYS  13   0.930   1.634   7.593
  109    HG2  LYS  13           1HG      LYS  13  -0.268   4.261   6.913
  110    HG3  LYS  13           2HG      LYS  13  -1.105   3.235   8.061
  111    HD2  LYS  13           1HD      LYS  13   1.751   4.182   8.285
  112    HD3  LYS  13           2HD      LYS  13   0.378   4.839   9.173
  113    HE2  LYS  13           1HE      LYS  13   1.426   2.009   9.395
  114    HE3  LYS  13           2HE      LYS  13   1.720   3.306  10.549
  115    HZ1  LYS  13           3HZ      LYS  13  -0.714   3.419  10.898
  116    HZ2  LYS  13           1HZ      LYS  13  -0.038   1.935  11.360
  117    HZ3  LYS  13           2HZ      LYS  13  -0.900   2.053   9.911
  118    H    GLU  14           H        GLU  14   3.207   1.709   6.953
  119    HA   GLU  14           HA       GLU  14   4.359   4.174   7.730
  120    HB2  GLU  14           1HB      GLU  14   5.636   1.438   7.570
  121    HB3  GLU  14           2HB      GLU  14   6.225   2.805   8.509
  122    HG2  GLU  14           1HG      GLU  14   4.257   2.742   9.905
  123    HG3  GLU  14           2HG      GLU  14   3.572   1.447   8.924
  124    H    PHE  15           H        PHE  15   4.974   1.995   5.024
  125    HA   PHE  15           HA       PHE  15   7.398   3.292   4.287
  126    HB2  PHE  15           1HB      PHE  15   6.487   0.883   3.755
  127    HB3  PHE  15           2HB      PHE  15   5.786   1.674   2.353
  128    HD1  PHE  15           HD1      PHE  15   9.050   2.183   4.053
  129    HD2  PHE  15           HD2      PHE  15   7.052   0.951   0.488
  130    HE1  PHE  15           HE1      PHE  15  11.214   1.973   2.908
  131    HE2  PHE  15           HE2      PHE  15   9.216   0.740  -0.647
  132    HZ   PHE  15           HZ       PHE  15  11.300   1.252   0.557
  133    H    VAL  16           H        VAL  16   4.034   3.716   3.418
  134    HA   VAL  16           HA       VAL  16   4.717   5.646   1.351
  135    HB   VAL  16           HB       VAL  16   2.004   4.878   2.453
  136   HG11  VAL  16          1HG1      VAL  16   1.104   6.013   0.469
  137   HG12  VAL  16          2HG1      VAL  16   2.731   6.544   0.044
  138   HG13  VAL  16          3HG1      VAL  16   1.972   7.127   1.524
  139   HG21  VAL  16          3HG2      VAL  16   3.415   4.067  -0.088
  140   HG22  VAL  16          1HG2      VAL  16   1.751   3.659   0.332
  141   HG23  VAL  16          2HG2      VAL  16   3.082   3.033   1.301
  142    H    LYS  17           H        LYS  17   2.739   5.785   4.328
  143    HA   LYS  17           HA       LYS  17   2.503   8.577   4.385
  144    HB2  LYS  17           1HB      LYS  17   0.995   7.149   5.626
  145    HB3  LYS  17           2HB      LYS  17   2.317   6.530   6.602
  146    HG2  LYS  17           1HG      LYS  17   1.428   8.026   8.060
  147    HG3  LYS  17           2HG      LYS  17   2.586   9.070   7.238
  148    HD2  LYS  17           1HD      LYS  17   0.434  10.186   7.446
  149    HD3  LYS  17           2HD      LYS  17   0.809   9.874   5.750
  150    HE2  LYS  17           1HE      LYS  17  -0.670   7.948   5.749
  151    HE3  LYS  17           2HE      LYS  17  -0.992   8.160   7.469
  152    HZ1  LYS  17           3HZ      LYS  17  -2.782   9.042   6.130
  153    HZ2  LYS  17           1HZ      LYS  17  -1.705  10.082   5.323
  154    HZ3  LYS  17           2HZ      LYS  17  -2.011  10.294   6.977
  155    H    ARG  18           H        ARG  18   4.755   6.444   6.103
  156    HA   ARG  18           HA       ARG  18   5.907   8.704   7.491
  157    HB2  ARG  18           1HB      ARG  18   6.449   5.741   7.596
  158    HB3  ARG  18           2HB      ARG  18   7.328   6.915   8.563
  159    HG2  ARG  18           1HG      ARG  18   5.283   7.592   9.665
  160    HG3  ARG  18           2HG      ARG  18   4.347   6.524   8.617
  161    HD2  ARG  18           1HD      ARG  18   5.389   4.580   9.572
  162    HD3  ARG  18           2HD      ARG  18   6.493   5.587  10.512
  163    HE   ARG  18           HE       ARG  18   3.846   6.265  11.169
  164   HH11  ARG  18          1HH1      ARG  18   6.162   3.674  11.550
  165   HH12  ARG  18          2HH1      ARG  18   5.462   3.079  13.032
  166   HH21  ARG  18          1HH2      ARG  18   2.910   5.506  13.119
  167   HH22  ARG  18          2HH2      ARG  18   3.597   4.123  13.916
  168    H    HIS  19           H        HIS  19   6.811   6.538   4.872
  169    HA   HIS  19           HA       HIS  19   9.535   7.545   4.954
  170    HB2  HIS  19           1HB      HIS  19   8.242   5.319   3.401
  171    HB3  HIS  19           2HB      HIS  19   9.883   5.858   3.072
  172    HD1  HIS  19           HD1      HIS  19   7.870   4.473   6.010
  173    HD2  HIS  19           HD2      HIS  19  11.763   4.663   4.566
  174    HE1  HIS  19           HE1      HIS  19   9.273   3.044   7.556
  175    H    GLN  20           H        GLN  20   7.478   9.363   4.197
  176    HA   GLN  20           HA       GLN  20   7.191  11.104   2.791
  177    HB2  GLN  20           1HB      GLN  20   9.903  10.197   1.882
  178    HB3  GLN  20           2HB      GLN  20   9.129  11.648   1.263
  179    HG2  GLN  20           1HG      GLN  20   8.949  12.395   3.682
  180    HG3  GLN  20           2HG      GLN  20  10.062  11.077   4.053
  181   HE21  GLN  20          1HE2      GLN  20  11.684  12.469   4.723
  182   HE22  GLN  20          2HE2      GLN  20  12.593  13.433   3.603
  183    H    ARG  21           H        ARG  21   6.275   8.402   1.900
  184    HA   ARG  21           HA       ARG  21   4.977   7.631   0.236
  185    HB2  ARG  21           1HB      ARG  21   5.389  10.329  -1.055
  186    HB3  ARG  21           2HB      ARG  21   4.095   9.187  -1.377
  187    HG2  ARG  21           1HG      ARG  21   3.113   9.530   0.736
  188    HG3  ARG  21           2HG      ARG  21   4.537  10.375   1.339
  189    HD2  ARG  21           1HD      ARG  21   4.078  12.152  -0.376
  190    HD3  ARG  21           2HD      ARG  21   2.544  11.341  -0.699
  191    HE   ARG  21           HE       ARG  21   2.724  11.753   2.054
  192   HH11  ARG  21          1HH1      ARG  21   2.466  13.697  -0.868
  193   HH12  ARG  21          2HH1      ARG  21   1.665  15.015  -0.057
  194   HH21  ARG  21          1HH2      ARG  21   1.672  13.474   3.098
  195   HH22  ARG  21          2HH2      ARG  21   1.229  14.896   2.198
  196    H    ILE  22           H        ILE  22   5.477   6.169  -1.208
  197    HA   ILE  22           HA       ILE  22   7.925   6.546  -2.785
  198    HB   ILE  22           HB       ILE  22   8.028   4.642  -1.242
  199   HG12  ILE  22          1HG1      ILE  22   7.854   3.747  -4.124
  200   HG13  ILE  22          2HG1      ILE  22   9.237   4.557  -3.394
  201   HG21  ILE  22          1HG2      ILE  22   6.598   2.597  -1.949
  202   HG22  ILE  22          2HG2      ILE  22   5.515   3.816  -2.621
  203   HG23  ILE  22          3HG2      ILE  22   5.903   3.827  -0.901
  204   HD11  ILE  22          3HD1      ILE  22   9.548   2.680  -1.882
  205   HD12  ILE  22          1HD1      ILE  22   9.585   2.154  -3.566
  206   HD13  ILE  22          2HD1      ILE  22   8.144   1.874  -2.584
  207    H    THR  23           H        THR  23   7.943   6.068  -4.991
  208    HA   THR  23           HA       THR  23   5.546   6.691  -6.363
  209    HB   THR  23           HB       THR  23   6.942   6.182  -8.419
  210    HG1  THR  23           HG1      THR  23   9.006   5.547  -8.153
  211   HG21  THR  23          3HG2      THR  23   8.035   8.109  -6.364
  212   HG22  THR  23          1HG2      THR  23   6.760   8.440  -7.536
  213   HG23  THR  23          2HG2      THR  23   8.410   8.144  -8.087
  214    H    GLN  24           H        GLN  24   4.621   5.393  -8.123
  215    HA   GLN  24           HA       GLN  24   3.624   2.989  -7.049
  216    HB2  GLN  24           1HB      GLN  24   2.320   4.409  -8.554
  217    HB3  GLN  24           2HB      GLN  24   3.437   4.063  -9.869
  218    HG2  GLN  24           1HG      GLN  24   2.813   1.658  -9.664
  219    HG3  GLN  24           2HG      GLN  24   1.580   2.134  -8.499
  220   HE21  GLN  24          1HE2      GLN  24   1.038   4.645  -9.967
  221   HE22  GLN  24          2HE2      GLN  24   0.083   4.166 -11.331
  222    H    GLU  25           H        GLU  25   6.155   3.641  -9.381
  223    HA   GLU  25           HA       GLU  25   6.430   1.206 -10.647
  224    HB2  GLU  25           1HB      GLU  25   7.718   3.204 -11.237
  225    HB3  GLU  25           2HB      GLU  25   8.625   3.075  -9.736
  226    HG2  GLU  25           1HG      GLU  25   9.987   2.226 -11.489
  227    HG3  GLU  25           2HG      GLU  25   9.453   0.856 -10.513
  228    H    GLU  26           H        GLU  26   8.349   2.232  -7.828
  229    HA   GLU  26           HA       GLU  26   9.301  -0.419  -7.352
  230    HB2  GLU  26           1HB      GLU  26  10.562   1.682  -6.812
  231    HB3  GLU  26           2HB      GLU  26   9.422   1.974  -5.510
  232    HG2  GLU  26           1HG      GLU  26  11.424   1.016  -4.613
  233    HG3  GLU  26           2HG      GLU  26  10.113  -0.153  -4.472
  234    H    LEU  27           H        LEU  27   6.657   1.535  -6.212
  235    HA   LEU  27           HA       LEU  27   6.049   0.184  -3.838
  236    HB2  LEU  27           1HB      LEU  27   5.112   2.389  -4.674
  237    HB3  LEU  27           2HB      LEU  27   4.047   1.455  -5.699
  238    HG   LEU  27           HG       LEU  27   4.035   1.053  -2.717
  239   HD11  LEU  27          1HD1      LEU  27   2.430   3.083  -4.266
  240   HD12  LEU  27          2HD1      LEU  27   3.727   3.448  -3.130
  241   HD13  LEU  27          3HD1      LEU  27   2.241   2.691  -2.558
  242   HD21  LEU  27          3HD2      LEU  27   1.703   0.382  -3.168
  243   HD22  LEU  27          1HD2      LEU  27   2.857  -0.608  -4.063
  244   HD23  LEU  27          2HD2      LEU  27   1.966   0.670  -4.886
  245    H    HIS  28           H        HIS  28   4.853  -0.352  -7.162
  246    HA   HIS  28           HA       HIS  28   3.106  -2.455  -6.418
  247    HB2  HIS  28           1HB      HIS  28   3.005  -1.102  -8.567
  248    HB3  HIS  28           2HB      HIS  28   4.333  -2.102  -9.153
  249    HD1  HIS  28           HD1      HIS  28   3.719  -4.835  -8.969
  250    HD2  HIS  28           HD2      HIS  28   0.594  -2.104  -9.201
  251    HE1  HIS  28           HE1      HIS  28   1.657  -6.165  -9.538
  252    H    GLN  29           H        GLN  29   6.445  -2.403  -7.592
  253    HA   GLN  29           HA       GLN  29   6.852  -5.177  -7.753
  254    HB2  GLN  29           1HB      GLN  29   8.414  -3.101  -8.318
  255    HB3  GLN  29           2HB      GLN  29   9.017  -3.394  -6.696
  256    HG2  GLN  29           1HG      GLN  29   9.022  -5.353  -8.983
  257    HG3  GLN  29           2HG      GLN  29  10.413  -4.474  -8.359
  258   HE21  GLN  29          1HE2      GLN  29   8.291  -7.153  -7.936
  259   HE22  GLN  29          2HE2      GLN  29   9.138  -7.884  -6.614
  260    H    TYR  30           H        TYR  30   7.285  -2.890  -5.100
  261    HA   TYR  30           HA       TYR  30   8.064  -4.704  -3.102
  262    HB2  TYR  30           1HB      TYR  30   8.271  -2.198  -3.060
  263    HB3  TYR  30           2HB      TYR  30   6.546  -2.112  -2.748
  264    HD1  TYR  30           HD1      TYR  30   9.546  -3.873  -1.343
  265    HD2  TYR  30           HD2      TYR  30   5.927  -1.773  -0.565
  266    HE1  TYR  30           HE1      TYR  30  10.000  -3.995   1.073
  267    HE2  TYR  30           HE2      TYR  30   6.367  -1.894   1.850
  268    HH   TYR  30           HH       TYR  30   9.406  -2.865   3.131
  269    H    ALA  31           H        ALA  31   4.945  -3.971  -4.457
  270    HA   ALA  31           HA       ALA  31   3.380  -4.931  -2.276
  271    HB1  ALA  31           3HB      ALA  31   2.496  -3.379  -3.977
  272    HB2  ALA  31           1HB      ALA  31   1.509  -4.834  -3.821
  273    HB3  ALA  31           2HB      ALA  31   2.614  -4.661  -5.184
  274    H    GLN  32           H        GLN  32   4.382  -6.313  -5.390
  275    HA   GLN  32           HA       GLN  32   3.231  -8.877  -4.864
  276    HB2  GLN  32           1HB      GLN  32   5.451  -8.200  -6.808
  277    HB3  GLN  32           2HB      GLN  32   4.432  -9.629  -6.836
  278    HG2  GLN  32           1HG      GLN  32   3.392  -6.828  -7.205
  279    HG3  GLN  32           2HG      GLN  32   3.866  -7.884  -8.527
  280   HE21  GLN  32          1HE2      GLN  32   2.259  -9.084  -5.663
  281   HE22  GLN  32          2HE2      GLN  32   0.763  -9.465  -6.432
  282    H    ARG  33           H        ARG  33   6.168  -7.294  -4.108
  283    HA   ARG  33           HA       ARG  33   7.811  -9.506  -3.502
  284    HB2  ARG  33           1HB      ARG  33   8.580  -7.180  -3.900
  285    HB3  ARG  33           2HB      ARG  33   7.855  -6.700  -2.377
  286    HG2  ARG  33           1HG      ARG  33   9.416  -8.109  -1.164
  287    HG3  ARG  33           2HG      ARG  33  10.117  -8.666  -2.689
  288    HD2  ARG  33           1HD      ARG  33  10.723  -6.340  -3.232
  289    HD3  ARG  33           2HD      ARG  33  10.074  -5.822  -1.679
  290    HE   ARG  33           HE       ARG  33  11.877  -7.533  -0.832
  291   HH11  ARG  33          1HH1      ARG  33  12.137  -5.223  -3.447
  292   HH12  ARG  33          2HH1      ARG  33  13.845  -4.988  -3.260
  293   HH21  ARG  33          1HH2      ARG  33  14.139  -7.213  -0.552
  294   HH22  ARG  33          2HH2      ARG  33  14.981  -6.125  -1.609
  295    H    LEU  34           H        LEU  34   5.409  -7.713  -1.636
  296    HA   LEU  34           HA       LEU  34   6.095  -9.293   0.738
  297    HB2  LEU  34           1HB      LEU  34   4.382  -6.832   0.459
  298    HB3  LEU  34           2HB      LEU  34   4.647  -7.692   1.962
  299    HG   LEU  34           HG       LEU  34   6.652  -6.128   0.355
  300   HD11  LEU  34          1HD1      LEU  34   5.707  -5.883   3.206
  301   HD12  LEU  34          2HD1      LEU  34   5.187  -4.869   1.861
  302   HD13  LEU  34          3HD1      LEU  34   6.869  -4.833   2.393
  303   HD21  LEU  34          3HD2      LEU  34   7.723  -8.190   1.077
  304   HD22  LEU  34          1HD2      LEU  34   7.165  -7.918   2.728
  305   HD23  LEU  34          2HD2      LEU  34   8.333  -6.816   1.998
  306    H    GLY  35           H        GLY  35   4.077  -9.645  -1.793
  307    HA2  GLY  35           1HA      GLY  35   2.593 -11.451  -1.969
  308    HA3  GLY  35           2HA      GLY  35   2.461 -11.491  -0.223
  309    H    LEU  36           H        LEU  36   1.945  -8.710  -2.353
  310    HA   LEU  36           HA       LEU  36  -0.746  -8.493  -1.225
  311    HB2  LEU  36           1HB      LEU  36   0.706  -6.479  -2.933
  312    HB3  LEU  36           2HB      LEU  36  -0.749  -6.222  -1.988
  313    HG   LEU  36           HG       LEU  36   2.057  -6.619  -0.958
  314   HD11  LEU  36          1HD1      LEU  36   1.652  -4.466   0.101
  315   HD12  LEU  36          2HD1      LEU  36   0.029  -4.419  -0.586
  316   HD13  LEU  36          3HD1      LEU  36   1.438  -4.358  -1.645
  317   HD21  LEU  36          3HD2      LEU  36   0.598  -7.989   0.403
  318   HD22  LEU  36          1HD2      LEU  36  -0.530  -6.648   0.594
  319   HD23  LEU  36          2HD2      LEU  36   1.084  -6.549   1.300
  320    H    ASN  37           H        ASN  37  -2.338  -7.451  -2.777
  321    HA   ASN  37           HA       ASN  37  -2.194  -8.662  -5.437
  322    HB2  ASN  37           1HB      ASN  37  -4.425  -9.525  -5.317
  323    HB3  ASN  37           2HB      ASN  37  -3.559 -10.114  -3.909
  324   HD21  ASN  37          1HD2      ASN  37  -3.916  -7.307  -2.692
  325   HD22  ASN  37          2HD2      ASN  37  -5.527  -7.363  -2.078
  326    H    GLU  38           H        GLU  38  -3.902  -7.684  -6.916
  327    HA   GLU  38           HA       GLU  38  -3.341  -4.917  -6.940
  328    HB2  GLU  38           1HB      GLU  38  -5.273  -6.517  -8.621
  329    HB3  GLU  38           2HB      GLU  38  -4.786  -4.860  -8.952
  330    HG2  GLU  38           1HG      GLU  38  -2.456  -5.602  -9.170
  331    HG3  GLU  38           2HG      GLU  38  -2.973  -7.262  -8.886
  332    H    GLU  39           H        GLU  39  -6.062  -6.748  -5.793
  333    HA   GLU  39           HA       GLU  39  -8.047  -4.863  -5.467
  334    HB2  GLU  39           1HB      GLU  39  -8.518  -7.061  -4.761
  335    HB3  GLU  39           2HB      GLU  39  -7.078  -7.141  -3.758
  336    HG2  GLU  39           1HG      GLU  39  -8.926  -7.027  -2.297
  337    HG3  GLU  39           2HG      GLU  39  -8.149  -5.447  -2.250
  338    H    ALA  40           H        ALA  40  -5.389  -5.577  -3.260
  339    HA   ALA  40           HA       ALA  40  -6.049  -3.502  -1.426
  340    HB1  ALA  40           3HB      ALA  40  -3.973  -4.117  -0.313
  341    HB2  ALA  40           1HB      ALA  40  -3.501  -5.087  -1.709
  342    HB3  ALA  40           2HB      ALA  40  -4.903  -5.553  -0.745
  343    H    ILE  41           H        ILE  41  -3.828  -3.837  -4.112
  344    HA   ILE  41           HA       ILE  41  -2.253  -1.564  -3.629
  345    HB   ILE  41           HB       ILE  41  -2.914  -2.846  -6.286
  346   HG12  ILE  41          1HG1      ILE  41  -0.586  -3.309  -4.405
  347   HG13  ILE  41          2HG1      ILE  41  -1.955  -4.398  -4.605
  348   HG21  ILE  41          1HG2      ILE  41  -1.973  -0.614  -6.565
  349   HG22  ILE  41          2HG2      ILE  41  -0.806  -1.843  -7.053
  350   HG23  ILE  41          3HG2      ILE  41  -0.632  -1.031  -5.498
  351   HD11  ILE  41          3HD1      ILE  41   0.082  -3.685  -6.702
  352   HD12  ILE  41          1HD1      ILE  41  -1.314  -4.734  -6.950
  353   HD13  ILE  41          2HD1      ILE  41  -0.042  -5.209  -5.824
  354    H    ARG  42           H        ARG  42  -5.129  -2.005  -5.688
  355    HA   ARG  42           HA       ARG  42  -5.294   0.715  -6.470
  356    HB2  ARG  42           1HB      ARG  42  -6.432  -0.938  -7.796
  357    HB3  ARG  42           2HB      ARG  42  -7.383  -1.470  -6.411
  358    HG2  ARG  42           1HG      ARG  42  -8.334   0.863  -6.338
  359    HG3  ARG  42           2HG      ARG  42  -7.564   1.120  -7.901
  360    HD2  ARG  42           1HD      ARG  42  -8.936  -0.449  -8.965
  361    HD3  ARG  42           2HD      ARG  42  -9.429  -1.183  -7.434
  362    HE   ARG  42           HE       ARG  42 -10.536   1.047  -6.987
  363   HH11  ARG  42          1HH1      ARG  42 -10.204  -0.289 -10.216
  364   HH12  ARG  42          2HH1      ARG  42 -11.492   0.668 -10.871
  365   HH21  ARG  42          1HH2      ARG  42 -12.203   2.297  -7.841
  366   HH22  ARG  42          2HH2      ARG  42 -12.652   2.121  -9.515
  367    H    GLN  43           H        GLN  43  -6.867  -1.166  -3.929
  368    HA   GLN  43           HA       GLN  43  -8.670   0.711  -2.981
  369    HB2  GLN  43           1HB      GLN  43  -8.665  -1.631  -2.297
  370    HB3  GLN  43           2HB      GLN  43  -7.144  -1.404  -1.451
  371    HG2  GLN  43           1HG      GLN  43  -8.991  -1.479   0.102
  372    HG3  GLN  43           2HG      GLN  43  -8.236   0.115   0.115
  373   HE21  GLN  43          1HE2      GLN  43  -9.376   1.874  -0.626
  374   HE22  GLN  43          2HE2      GLN  43 -11.082   1.823  -0.934
  375    H    PHE  44           H        PHE  44  -5.265   0.273  -2.123
  376    HA   PHE  44           HA       PHE  44  -5.321   2.147   0.021
  377    HB2  PHE  44           1HB      PHE  44  -3.635   0.174  -0.616
  378    HB3  PHE  44           2HB      PHE  44  -2.756   1.513  -1.346
  379    HD1  PHE  44           HD1      PHE  44  -4.758   1.327   1.784
  380    HD2  PHE  44           HD2      PHE  44  -0.935   1.941   0.020
  381    HE1  PHE  44           HE1      PHE  44  -3.830   1.867   3.996
  382    HE2  PHE  44           HE2      PHE  44   0.000   2.484   2.231
  383    HZ   PHE  44           HZ       PHE  44  -1.449   2.444   4.223
  384    H    PHE  45           H        PHE  45  -4.779   2.401  -3.408
  385    HA   PHE  45           HA       PHE  45  -3.668   5.059  -3.235
  386    HB2  PHE  45           1HB      PHE  45  -4.435   3.243  -5.487
  387    HB3  PHE  45           2HB      PHE  45  -4.227   4.960  -5.803
  388    HD1  PHE  45           HD1      PHE  45  -1.976   5.974  -4.857
  389    HD2  PHE  45           HD2      PHE  45  -2.621   1.858  -5.725
  390    HE1  PHE  45           HE1      PHE  45   0.450   5.644  -5.088
  391    HE2  PHE  45           HE2      PHE  45  -0.197   1.525  -5.959
  392    HZ   PHE  45           HZ       PHE  45   1.342   3.418  -5.643
  393    H    GLU  46           H        GLU  46  -6.691   3.722  -4.595
  394    HA   GLU  46           HA       GLU  46  -7.698   6.270  -5.298
  395    HB2  GLU  46           1HB      GLU  46  -9.496   5.154  -6.195
  396    HB3  GLU  46           2HB      GLU  46  -8.326   3.848  -6.115
  397    HG2  GLU  46           1HG      GLU  46  -9.333   3.072  -4.023
  398    HG3  GLU  46           2HG      GLU  46 -10.522   4.369  -4.129
  399    H    GLU  47           H        GLU  47  -8.032   4.291  -2.454
  400    HA   GLU  47           HA       GLU  47  -9.584   6.432  -1.184
  401    HB2  GLU  47           1HB      GLU  47 -11.088   4.602  -1.906
  402    HB3  GLU  47           2HB      GLU  47 -10.153   3.472  -0.945
  403    HG2  GLU  47           1HG      GLU  47 -10.783   4.680   1.085
  404    HG3  GLU  47           2HG      GLU  47 -11.722   5.814   0.114
  405    H    PHE  48           H        PHE  48  -7.106   6.607  -0.771
  406    HA   PHE  48           HA       PHE  48  -5.937   5.028   1.260
  407    HB2  PHE  48           1HB      PHE  48  -4.695   6.564  -0.293
  408    HB3  PHE  48           2HB      PHE  48  -5.346   7.928   0.601
  409    HD1  PHE  48           HD1      PHE  48  -3.233   4.904   0.945
  410    HD2  PHE  48           HD2      PHE  48  -4.268   8.723   2.513
  411    HE1  PHE  48           HE1      PHE  48  -1.328   4.781   2.492
  412    HE2  PHE  48           HE2      PHE  48  -2.359   8.609   4.059
  413    HZ   PHE  48           HZ       PHE  48  -0.885   6.635   4.053
  414    H    GLU  49           H        GLU  49  -7.088   8.383   1.495
  415    HA   GLU  49           HA       GLU  49  -8.976   8.161   3.442
  416    HB2  GLU  49           1HB      GLU  49  -7.925   8.731   5.543
  417    HB3  GLU  49           2HB      GLU  49  -7.191   7.259   4.928
  418    HG2  GLU  49           1HG      GLU  49  -5.273   8.570   4.130
  419    HG3  GLU  49           2HG      GLU  49  -6.018  10.028   4.785
  420    H    GLN  50           H        GLN  50  -6.296  10.013   2.167
  421    HA   GLN  50           HA       GLN  50  -7.473  12.533   3.023
  422    HB2  GLN  50           1HB      GLN  50  -4.976  12.040   1.392
  423    HB3  GLN  50           2HB      GLN  50  -5.463  13.567   2.112
  424    HG2  GLN  50           1HG      GLN  50  -4.737  11.069   3.623
  425    HG3  GLN  50           2HG      GLN  50  -3.692  12.464   3.376
  426   HE21  GLN  50          1HE2      GLN  50  -5.900  14.367   3.719
  427   HE22  GLN  50          2HE2      GLN  50  -6.241  14.396   5.413
  428    H    ARG  51           H        ARG  51  -7.492  10.500   0.279
  429    HA   ARG  51           HA       ARG  51  -7.783  12.536  -1.701
  430    HB2  ARG  51           1HB      ARG  51  -8.105   9.552  -1.732
  431    HB3  ARG  51           2HB      ARG  51  -8.618  10.524  -3.107
  432    HG2  ARG  51           1HG      ARG  51  -6.302  11.480  -3.176
  433    HG3  ARG  51           2HG      ARG  51  -5.848  10.277  -1.966
  434    HD2  ARG  51           1HD      ARG  51  -6.438   8.482  -3.463
  435    HD3  ARG  51           2HD      ARG  51  -7.060   9.630  -4.649
  436    HE   ARG  51           HE       ARG  51  -4.391  10.282  -4.159
  437   HH11  ARG  51          1HH1      ARG  51  -6.246   7.682  -5.572
  438   HH12  ARG  51          2HH1      ARG  51  -4.994   7.193  -6.670
  439   HH21  ARG  51          1HH2      ARG  51  -2.707   9.635  -5.572
  440   HH22  ARG  51          2HH2      ARG  51  -2.965   8.302  -6.661
  441    H    LYS  52           H        LYS  52  -9.426  13.864  -1.327
  442    HA   LYS  52           HA       LYS  52 -12.122  12.787  -1.646
  443    HB2  LYS  52           1HB      LYS  52 -11.318  14.772   0.501
  444    HB3  LYS  52           2HB      LYS  52 -12.974  14.341   0.103
  445    HG2  LYS  52           1HG      LYS  52 -12.610  12.077   0.846
  446    HG3  LYS  52           2HG      LYS  52 -10.901  12.408   1.121
  447    HD2  LYS  52           1HD      LYS  52 -11.850  12.538   3.251
  448    HD3  LYS  52           2HD      LYS  52 -11.712  14.220   2.745
  449    HE2  LYS  52           1HE      LYS  52 -14.228  12.580   2.481
  450    HE3  LYS  52           2HE      LYS  52 -13.875  13.621   3.855
  451    HZ1  LYS  52           3HZ      LYS  52 -14.371  14.409   1.043
  452    HZ2  LYS  52           1HZ      LYS  52 -13.646  15.464   2.159
  453    HZ3  LYS  52           2HZ      LYS  52 -15.211  14.881   2.433
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1 -11.022  -7.084   6.007
    2    H2   MET   1           2H       MET   1  -9.674  -6.065   5.995
    3    H3   MET   1           3H       MET   1 -10.695  -6.098   7.347
    4    HA   MET   1           HA       MET   1  -8.663  -7.272   7.786
    5    HB2  MET   1           1HB      MET   1  -9.701  -9.494   8.439
    6    HB3  MET   1           2HB      MET   1 -10.566  -8.072   9.008
    7    HG2  MET   1           1HG      MET   1 -12.196  -8.331   7.232
    8    HG3  MET   1           2HG      MET   1 -11.312  -9.721   6.604
    9    HE1  MET   1           3HE      MET   1 -13.339  -8.296   9.657
   10    HE2  MET   1           1HE      MET   1 -11.837  -8.837  10.403
   11    HE3  MET   1           2HE      MET   1 -13.347  -9.680  10.749
   12    H    LYS   2           H        LYS   2 -10.488  -9.027   5.210
   13    HA   LYS   2           HA       LYS   2  -7.878 -10.089   4.353
   14    HB2  LYS   2           1HB      LYS   2 -10.636 -11.187   3.777
   15    HB3  LYS   2           2HB      LYS   2  -9.126 -11.879   3.214
   16    HG2  LYS   2           1HG      LYS   2  -9.951 -11.634   6.099
   17    HG3  LYS   2           2HG      LYS   2 -10.096 -13.089   5.117
   18    HD2  LYS   2           1HD      LYS   2  -7.573 -12.885   4.756
   19    HD3  LYS   2           2HD      LYS   2  -7.601 -11.720   6.083
   20    HE2  LYS   2           1HE      LYS   2  -8.431 -14.611   6.166
   21    HE3  LYS   2           2HE      LYS   2  -7.061 -13.863   6.985
   22    HZ1  LYS   2           3HZ      LYS   2  -8.596 -12.595   8.346
   23    HZ2  LYS   2           1HZ      LYS   2  -8.932 -14.250   8.486
   24    HZ3  LYS   2           2HZ      LYS   2  -9.924 -13.269   7.532
   25    H    GLN   3           H        GLN   3  -7.059  -9.296   2.603
   26    HA   GLN   3           HA       GLN   3  -8.332  -8.947   0.152
   27    HB2  GLN   3           1HB      GLN   3  -9.320  -6.975   1.538
   28    HB3  GLN   3           2HB      GLN   3  -7.723  -6.260   1.378
   29    HG2  GLN   3           1HG      GLN   3  -9.206  -5.396  -0.319
   30    HG3  GLN   3           2HG      GLN   3  -7.936  -6.366  -1.064
   31   HE21  GLN   3          1HE2      GLN   3 -11.309  -6.156  -0.318
   32   HE22  GLN   3          2HE2      GLN   3 -11.824  -7.461  -1.329
   33    H    TRP   4           H        TRP   4  -5.972  -7.336   2.219
   34    HA   TRP   4           HA       TRP   4  -3.843  -7.997   0.300
   35    HB2  TRP   4           1HB      TRP   4  -2.648  -6.323   2.086
   36    HB3  TRP   4           2HB      TRP   4  -3.400  -5.783   0.595
   37    HD1  TRP   4           HD1      TRP   4  -4.986  -3.811   0.941
   38    HE1  TRP   4           HE1      TRP   4  -6.441  -2.913   2.857
   39    HE3  TRP   4           HE3      TRP   4  -4.020  -7.406   4.446
   40    HZ2  TRP   4           HZ2      TRP   4  -7.089  -3.628   5.507
   41    HZ3  TRP   4           HZ3      TRP   4  -5.094  -7.218   6.646
   42    HH2  TRP   4           HH2      TRP   4  -6.595  -5.367   7.167
   43    H    SER   5           H        SER   5  -1.659  -8.205   1.646
   44    HA   SER   5           HA       SER   5  -1.988 -10.242   3.641
   45    HB2  SER   5           1HB      SER   5  -0.012 -10.245   2.164
   46    HB3  SER   5           2HB      SER   5   0.484  -8.691   2.829
   47    HG   SER   5           HG       SER   5   0.086 -10.965   4.468
   48    H    GLU   6           H        GLU   6  -2.028  -9.974   5.813
   49    HA   GLU   6           HA       GLU   6  -2.940  -7.582   6.889
   50    HB2  GLU   6           1HB      GLU   6  -3.304  -9.737   7.959
   51    HB3  GLU   6           2HB      GLU   6  -1.584  -9.896   8.281
   52    HG2  GLU   6           1HG      GLU   6  -1.767  -7.815   9.680
   53    HG3  GLU   6           2HG      GLU   6  -3.517  -7.944   9.499
   54    H    ASN   7           H        ASN   7   0.307  -8.920   6.853
   55    HA   ASN   7           HA       ASN   7   1.524  -7.056   8.572
   56    HB2  ASN   7           1HB      ASN   7   2.479  -9.263   7.875
   57    HB3  ASN   7           2HB      ASN   7   2.790  -8.558   6.291
   58   HD21  ASN   7          1HD2      ASN   7   3.151  -6.983   9.420
   59   HD22  ASN   7          2HD2      ASN   7   4.867  -6.771   9.310
   60    H    VAL   8           H        VAL   8   0.996  -7.085   5.107
   61    HA   VAL   8           HA       VAL   8   2.866  -5.080   4.452
   62    HB   VAL   8           HB       VAL   8   0.392  -5.841   2.892
   63   HG11  VAL   8          1HG1      VAL   8   1.300  -3.819   2.054
   64   HG12  VAL   8          2HG1      VAL   8   1.830  -5.102   0.971
   65   HG13  VAL   8          3HG1      VAL   8   2.949  -4.432   2.157
   66   HG21  VAL   8          3HG2      VAL   8   1.873  -7.383   1.683
   67   HG22  VAL   8          1HG2      VAL   8   1.734  -7.810   3.388
   68   HG23  VAL   8          2HG2      VAL   8   3.182  -6.993   2.800
   69    H    GLU   9           H        GLU   9  -0.638  -4.978   4.967
   70    HA   GLU   9           HA       GLU   9  -1.205  -2.375   4.295
   71    HB2  GLU   9           1HB      GLU   9  -2.691  -4.328   5.146
   72    HB3  GLU   9           2HB      GLU   9  -2.383  -3.664   6.740
   73    HG2  GLU   9           1HG      GLU   9  -3.468  -1.928   4.559
   74    HG3  GLU   9           2HG      GLU   9  -4.526  -2.998   5.469
   75    H    GLU  10           H        GLU  10   0.038  -3.594   7.353
   76    HA   GLU  10           HA       GLU  10   0.062  -1.193   8.804
   77    HB2  GLU  10           1HB      GLU  10   0.263  -3.225   9.994
   78    HB3  GLU  10           2HB      GLU  10   1.601  -3.773   8.995
   79    HG2  GLU  10           1HG      GLU  10   3.038  -2.061   9.980
   80    HG3  GLU  10           2HG      GLU  10   1.692  -1.523  10.994
   81    H    LYS  11           H        LYS  11   2.760  -2.856   7.175
   82    HA   LYS  11           HA       LYS  11   4.575  -0.735   7.767
   83    HB2  LYS  11           1HB      LYS  11   5.283  -3.065   7.668
   84    HB3  LYS  11           2HB      LYS  11   4.872  -3.132   5.959
   85    HG2  LYS  11           1HG      LYS  11   6.588  -1.477   5.469
   86    HG3  LYS  11           2HG      LYS  11   6.990  -1.374   7.181
   87    HD2  LYS  11           1HD      LYS  11   7.213  -3.872   5.501
   88    HD3  LYS  11           2HD      LYS  11   8.557  -2.803   5.906
   89    HE2  LYS  11           1HE      LYS  11   8.012  -3.223   8.328
   90    HE3  LYS  11           2HE      LYS  11   6.894  -4.473   7.784
   91    HZ1  LYS  11           3HZ      LYS  11   9.019  -5.431   8.363
   92    HZ2  LYS  11           1HZ      LYS  11   9.820  -4.400   7.279
   93    HZ3  LYS  11           2HZ      LYS  11   8.763  -5.591   6.697
   94    H    LEU  12           H        LEU  12   2.497  -1.480   5.095
   95    HA   LEU  12           HA       LEU  12   3.762   0.032   3.077
   96    HB2  LEU  12           1HB      LEU  12   1.607  -1.572   3.135
   97    HB3  LEU  12           2HB      LEU  12   0.801  -0.020   3.194
   98    HG   LEU  12           HG       LEU  12   1.991   0.625   1.102
   99   HD11  LEU  12          1HD1      LEU  12   3.913  -0.811   1.235
  100   HD12  LEU  12          2HD1      LEU  12   3.003  -1.213  -0.221
  101   HD13  LEU  12          3HD1      LEU  12   2.891  -2.246   1.199
  102   HD21  LEU  12          3HD2      LEU  12   0.614  -0.757  -0.371
  103   HD22  LEU  12          1HD2      LEU  12  -0.291  -0.231   1.046
  104   HD23  LEU  12          2HD2      LEU  12   0.320  -1.883   0.954
  105    H    LYS  13           H        LYS  13   1.270   0.815   5.442
  106    HA   LYS  13           HA       LYS  13   0.813   3.481   4.841
  107    HB2  LYS  13           1HB      LYS  13  -0.507   2.221   6.465
  108    HB3  LYS  13           2HB      LYS  13   0.880   2.114   7.536
  109    HG2  LYS  13           1HG      LYS  13   0.838   4.633   7.649
  110    HG3  LYS  13           2HG      LYS  13  -0.724   4.551   6.830
  111    HD2  LYS  13           1HD      LYS  13  -1.017   4.691   9.249
  112    HD3  LYS  13           2HD      LYS  13  -1.603   3.147   8.630
  113    HE2  LYS  13           1HE      LYS  13   0.548   2.108   9.304
  114    HE3  LYS  13           2HE      LYS  13   1.040   3.649  10.007
  115    HZ1  LYS  13           3HZ      LYS  13  -0.910   3.509  11.479
  116    HZ2  LYS  13           1HZ      LYS  13   0.179   2.229  11.711
  117    HZ3  LYS  13           2HZ      LYS  13  -1.258   1.969  10.853
  118    H    GLU  14           H        GLU  14   3.290   2.030   6.901
  119    HA   GLU  14           HA       GLU  14   4.472   4.470   7.700
  120    HB2  GLU  14           1HB      GLU  14   5.686   1.716   7.514
  121    HB3  GLU  14           2HB      GLU  14   6.391   3.083   8.365
  122    HG2  GLU  14           1HG      GLU  14   4.393   3.145   9.821
  123    HG3  GLU  14           2HG      GLU  14   3.811   1.687   9.018
  124    H    PHE  15           H        PHE  15   5.216   2.186   5.103
  125    HA   PHE  15           HA       PHE  15   7.589   3.409   4.234
  126    HB2  PHE  15           1HB      PHE  15   6.393   1.093   3.671
  127    HB3  PHE  15           2HB      PHE  15   5.855   2.004   2.267
  128    HD1  PHE  15           HD1      PHE  15   9.083   2.135   4.098
  129    HD2  PHE  15           HD2      PHE  15   7.113   1.117   0.451
  130    HE1  PHE  15           HE1      PHE  15  11.255   1.690   3.045
  131    HE2  PHE  15           HE2      PHE  15   9.290   0.670  -0.591
  132    HZ   PHE  15           HZ       PHE  15  11.362   0.957   0.700
  133    H    VAL  16           H        VAL  16   4.249   4.134   3.595
  134    HA   VAL  16           HA       VAL  16   4.934   5.975   1.440
  135    HB   VAL  16           HB       VAL  16   2.235   5.310   2.639
  136   HG11  VAL  16          1HG1      VAL  16   2.245   7.542   1.666
  137   HG12  VAL  16          2HG1      VAL  16   1.312   6.436   0.658
  138   HG13  VAL  16          3HG1      VAL  16   2.941   6.906   0.175
  139   HG21  VAL  16          3HG2      VAL  16   3.263   3.416   1.476
  140   HG22  VAL  16          1HG2      VAL  16   3.503   4.421   0.048
  141   HG23  VAL  16          2HG2      VAL  16   1.870   4.033   0.587
  142    H    LYS  17           H        LYS  17   3.445   6.133   4.688
  143    HA   LYS  17           HA       LYS  17   3.231   9.015   4.483
  144    HB2  LYS  17           1HB      LYS  17   1.392   7.757   5.476
  145    HB3  LYS  17           2HB      LYS  17   2.467   7.126   6.714
  146    HG2  LYS  17           1HG      LYS  17   1.145   8.883   7.658
  147    HG3  LYS  17           2HG      LYS  17   2.815   9.439   7.533
  148    HD2  LYS  17           1HD      LYS  17   1.375  11.221   6.828
  149    HD3  LYS  17           2HD      LYS  17   2.198  10.584   5.404
  150    HE2  LYS  17           1HE      LYS  17  -0.125  10.962   4.880
  151    HE3  LYS  17           2HE      LYS  17   0.193   9.228   4.898
  152    HZ1  LYS  17           3HZ      LYS  17  -1.015  10.751   7.142
  153    HZ2  LYS  17           1HZ      LYS  17  -0.802   9.070   7.074
  154    HZ3  LYS  17           2HZ      LYS  17  -1.893   9.832   6.022
  155    H    ARG  18           H        ARG  18   4.982   6.703   6.554
  156    HA   ARG  18           HA       ARG  18   6.118   8.834   8.129
  157    HB2  ARG  18           1HB      ARG  18   6.650   5.857   8.147
  158    HB3  ARG  18           2HB      ARG  18   7.314   7.001   9.307
  159    HG2  ARG  18           1HG      ARG  18   5.081   7.552  10.077
  160    HG3  ARG  18           2HG      ARG  18   4.379   6.464   8.882
  161    HD2  ARG  18           1HD      ARG  18   4.380   5.238  10.883
  162    HD3  ARG  18           2HD      ARG  18   5.767   4.630   9.982
  163    HE   ARG  18           HE       ARG  18   6.767   6.641  11.567
  164   HH11  ARG  18          1HH1      ARG  18   5.161   3.572  12.047
  165   HH12  ARG  18          2HH1      ARG  18   5.753   3.350  13.665
  166   HH21  ARG  18          1HH2      ARG  18   7.557   6.364  13.699
  167   HH22  ARG  18          2HH2      ARG  18   7.110   4.955  14.618
  168    H    HIS  19           H        HIS  19   7.113   6.833   5.458
  169    HA   HIS  19           HA       HIS  19   9.878   7.678   5.663
  170    HB2  HIS  19           1HB      HIS  19   8.398   5.907   3.730
  171    HB3  HIS  19           2HB      HIS  19  10.077   6.374   3.481
  172    HD1  HIS  19           HD1      HIS  19  11.750   4.802   4.471
  173    HD2  HIS  19           HD2      HIS  19   8.061   4.569   6.370
  174    HE1  HIS  19           HE1      HIS  19  11.922   2.903   6.130
  175    H    GLN  20           H        GLN  20  10.316   7.820   2.784
  176    HA   GLN  20           HA       GLN  20   9.866  10.670   2.565
  177    HB2  GLN  20           1HB      GLN  20  11.265   8.790   0.657
  178    HB3  GLN  20           2HB      GLN  20  11.373  10.545   0.663
  179    HG2  GLN  20           1HG      GLN  20  12.541  10.531   2.748
  180    HG3  GLN  20           2HG      GLN  20  12.275   8.798   2.936
  181   HE21  GLN  20          1HE2      GLN  20  13.422   7.354   1.639
  182   HE22  GLN  20          2HE2      GLN  20  14.880   7.824   0.832
  183    H    ARG  21           H        ARG  21   7.794   8.383   2.037
  184    HA   ARG  21           HA       ARG  21   5.979   8.007   0.749
  185    HB2  ARG  21           1HB      ARG  21   5.885  10.576   0.724
  186    HB3  ARG  21           2HB      ARG  21   6.582  10.461  -0.887
  187    HG2  ARG  21           1HG      ARG  21   4.678   9.048  -1.574
  188    HG3  ARG  21           2HG      ARG  21   3.969   9.275   0.025
  189    HD2  ARG  21           1HD      ARG  21   2.899  10.856  -1.327
  190    HD3  ARG  21           2HD      ARG  21   4.124  11.776  -0.455
  191    HE   ARG  21           HE       ARG  21   4.738  10.783  -3.146
  192   HH11  ARG  21          1HH1      ARG  21   4.150  13.464  -0.970
  193   HH12  ARG  21          2HH1      ARG  21   4.653  14.667  -2.123
  194   HH21  ARG  21          1HH2      ARG  21   5.328  12.354  -4.679
  195   HH22  ARG  21          2HH2      ARG  21   5.302  14.034  -4.233
  196    H    ILE  22           H        ILE  22   5.574   6.784  -1.037
  197    HA   ILE  22           HA       ILE  22   7.944   6.314  -2.716
  198    HB   ILE  22           HB       ILE  22   7.545   4.508  -1.099
  199   HG12  ILE  22          1HG1      ILE  22   6.949   3.636  -3.934
  200   HG13  ILE  22          2HG1      ILE  22   8.552   4.018  -3.311
  201   HG21  ILE  22          1HG2      ILE  22   5.547   2.988  -1.602
  202   HG22  ILE  22          2HG2      ILE  22   4.848   4.398  -2.400
  203   HG23  ILE  22          3HG2      ILE  22   5.255   4.462  -0.684
  204   HD11  ILE  22          3HD1      ILE  22   8.213   1.634  -3.377
  205   HD12  ILE  22          1HD1      ILE  22   6.763   1.785  -2.384
  206   HD13  ILE  22          2HD1      ILE  22   8.342   2.183  -1.707
  207    H    THR  23           H        THR  23   7.680   5.809  -4.873
  208    HA   THR  23           HA       THR  23   5.247   6.789  -6.088
  209    HB   THR  23           HB       THR  23   6.551   6.309  -8.233
  210    HG1  THR  23           HG1      THR  23   8.658   5.733  -8.050
  211   HG21  THR  23          3HG2      THR  23   7.993   8.281  -7.933
  212   HG22  THR  23          1HG2      THR  23   7.720   8.204  -6.192
  213   HG23  THR  23          2HG2      THR  23   6.376   8.546  -7.280
  214    H    GLN  24           H        GLN  24   4.202   5.557  -7.855
  215    HA   GLN  24           HA       GLN  24   3.220   3.153  -6.799
  216    HB2  GLN  24           1HB      GLN  24   1.989   4.725  -8.300
  217    HB3  GLN  24           2HB      GLN  24   2.949   4.120  -9.643
  218    HG2  GLN  24           1HG      GLN  24   2.028   1.904  -9.345
  219    HG3  GLN  24           2HG      GLN  24   1.119   2.446  -7.935
  220   HE21  GLN  24          1HE2      GLN  24  -0.857   1.942  -8.814
  221   HE22  GLN  24          2HE2      GLN  24  -1.568   2.841 -10.114
  222    H    GLU  25           H        GLU  25   5.670   3.771  -9.242
  223    HA   GLU  25           HA       GLU  25   5.910   1.258 -10.401
  224    HB2  GLU  25           1HB      GLU  25   7.112   3.212 -11.217
  225    HB3  GLU  25           2HB      GLU  25   8.070   3.263  -9.743
  226    HG2  GLU  25           1HG      GLU  25   9.426   2.315 -11.430
  227    HG3  GLU  25           2HG      GLU  25   8.961   1.007 -10.344
  228    H    GLU  26           H        GLU  26   7.820   2.519  -7.671
  229    HA   GLU  26           HA       GLU  26   8.997  -0.018  -7.091
  230    HB2  GLU  26           1HB      GLU  26  10.044   2.212  -6.602
  231    HB3  GLU  26           2HB      GLU  26   8.854   2.440  -5.332
  232    HG2  GLU  26           1HG      GLU  26  10.896   1.713  -4.339
  233    HG3  GLU  26           2HG      GLU  26   9.724   0.401  -4.220
  234    H    LEU  27           H        LEU  27   6.162   1.702  -6.090
  235    HA   LEU  27           HA       LEU  27   5.573   0.332  -3.708
  236    HB2  LEU  27           1HB      LEU  27   4.500   2.447  -4.678
  237    HB3  LEU  27           2HB      LEU  27   3.531   1.377  -5.665
  238    HG   LEU  27           HG       LEU  27   2.426   2.273  -3.578
  239   HD11  LEU  27          1HD1      LEU  27   2.604  -0.721  -3.854
  240   HD12  LEU  27          2HD1      LEU  27   1.521   0.347  -4.745
  241   HD13  LEU  27          3HD1      LEU  27   1.341   0.168  -3.000
  242   HD21  LEU  27          3HD2      LEU  27   4.313   0.337  -2.246
  243   HD22  LEU  27          1HD2      LEU  27   2.951   1.143  -1.469
  244   HD23  LEU  27          2HD2      LEU  27   4.314   2.090  -2.064
  245    H    HIS  28           H        HIS  28   4.639  -0.317  -7.087
  246    HA   HIS  28           HA       HIS  28   3.035  -2.576  -6.462
  247    HB2  HIS  28           1HB      HIS  28   3.139  -1.117  -8.643
  248    HB3  HIS  28           2HB      HIS  28   4.380  -2.269  -9.126
  249    HD1  HIS  28           HD1      HIS  28   3.300  -4.939  -8.440
  250    HD2  HIS  28           HD2      HIS  28   0.836  -1.869  -9.766
  251    HE1  HIS  28           HE1      HIS  28   1.185  -6.037  -9.260
  252    H    GLN  29           H        GLN  29   6.421  -2.160  -7.323
  253    HA   GLN  29           HA       GLN  29   7.113  -4.889  -7.502
  254    HB2  GLN  29           1HB      GLN  29   8.588  -3.083  -8.287
  255    HB3  GLN  29           2HB      GLN  29   8.793  -2.521  -6.635
  256    HG2  GLN  29           1HG      GLN  29  10.726  -3.778  -7.392
  257    HG3  GLN  29           2HG      GLN  29   9.923  -4.594  -6.052
  258   HE21  GLN  29          1HE2      GLN  29   8.856  -6.521  -6.413
  259   HE22  GLN  29          2HE2      GLN  29   9.094  -7.460  -7.852
  260    H    TYR  30           H        TYR  30   7.071  -2.605  -4.822
  261    HA   TYR  30           HA       TYR  30   7.995  -4.339  -2.800
  262    HB2  TYR  30           1HB      TYR  30   7.740  -1.778  -2.810
  263    HB3  TYR  30           2HB      TYR  30   6.054  -2.064  -2.411
  264    HD1  TYR  30           HD1      TYR  30   9.298  -3.486  -1.192
  265    HD2  TYR  30           HD2      TYR  30   5.627  -1.577  -0.205
  266    HE1  TYR  30           HE1      TYR  30   9.908  -3.557   1.190
  267    HE2  TYR  30           HE2      TYR  30   6.227  -1.640   2.178
  268    HH   TYR  30           HH       TYR  30   9.376  -2.427   3.263
  269    H    ALA  31           H        ALA  31   4.829  -3.668  -4.150
  270    HA   ALA  31           HA       ALA  31   3.233  -4.964  -2.240
  271    HB1  ALA  31           3HB      ALA  31   2.705  -4.561  -5.185
  272    HB2  ALA  31           1HB      ALA  31   2.359  -3.398  -3.905
  273    HB3  ALA  31           2HB      ALA  31   1.497  -4.937  -3.955
  274    H    GLN  32           H        GLN  32   4.373  -6.124  -5.410
  275    HA   GLN  32           HA       GLN  32   3.315  -8.717  -5.164
  276    HB2  GLN  32           1HB      GLN  32   3.973  -7.816  -7.323
  277    HB3  GLN  32           2HB      GLN  32   5.650  -7.719  -6.808
  278    HG2  GLN  32           1HG      GLN  32   5.742 -10.152  -6.638
  279    HG3  GLN  32           2HG      GLN  32   4.058 -10.253  -7.149
  280   HE21  GLN  32          1HE2      GLN  32   6.270  -7.928  -8.486
  281   HE22  GLN  32          2HE2      GLN  32   6.390  -8.640 -10.056
  282    H    ARG  33           H        ARG  33   6.421  -7.360  -4.220
  283    HA   ARG  33           HA       ARG  33   7.707  -9.802  -3.635
  284    HB2  ARG  33           1HB      ARG  33   8.927  -7.701  -3.975
  285    HB3  ARG  33           2HB      ARG  33   8.203  -7.036  -2.517
  286    HG2  ARG  33           1HG      ARG  33   9.393  -8.564  -1.135
  287    HG3  ARG  33           2HG      ARG  33   9.952  -9.482  -2.534
  288    HD2  ARG  33           1HD      ARG  33  11.252  -7.561  -3.284
  289    HD3  ARG  33           2HD      ARG  33  10.665  -6.619  -1.915
  290    HE   ARG  33           HE       ARG  33  11.816  -8.350  -0.499
  291   HH11  ARG  33          1HH1      ARG  33  12.892  -7.611  -3.761
  292   HH12  ARG  33          2HH1      ARG  33  14.534  -8.103  -3.456
  293   HH21  ARG  33          1HH2      ARG  33  13.996  -8.952  -0.102
  294   HH22  ARG  33          2HH2      ARG  33  15.155  -8.851  -1.390
  295    H    LEU  34           H        LEU  34   5.647  -7.675  -1.722
  296    HA   LEU  34           HA       LEU  34   6.111  -9.205   0.684
  297    HB2  LEU  34           1HB      LEU  34   4.276  -6.894   0.085
  298    HB3  LEU  34           2HB      LEU  34   4.395  -7.663   1.655
  299    HG   LEU  34           HG       LEU  34   6.611  -6.190   0.225
  300   HD11  LEU  34          1HD1      LEU  34   5.086  -5.507   2.736
  301   HD12  LEU  34          2HD1      LEU  34   4.860  -4.746   1.162
  302   HD13  LEU  34          3HD1      LEU  34   6.393  -4.570   2.014
  303   HD21  LEU  34          3HD2      LEU  34   7.900  -6.537   2.272
  304   HD22  LEU  34          1HD2      LEU  34   7.488  -8.071   1.506
  305   HD23  LEU  34          2HD2      LEU  34   6.598  -7.529   2.929
  306    H    GLY  35           H        GLY  35   3.726  -9.088  -1.866
  307    HA2  GLY  35           1HA      GLY  35   2.583 -11.235  -2.219
  308    HA3  GLY  35           2HA      GLY  35   2.335 -11.301  -0.480
  309    H    LEU  36           H        LEU  36   1.843  -8.552  -2.670
  310    HA   LEU  36           HA       LEU  36  -0.909  -8.398  -1.684
  311    HB2  LEU  36           1HB      LEU  36   0.742  -6.385  -3.202
  312    HB3  LEU  36           2HB      LEU  36  -0.923  -6.148  -2.711
  313    HG   LEU  36           HG       LEU  36   1.453  -6.457  -0.880
  314   HD11  LEU  36          1HD1      LEU  36  -0.410  -4.158  -1.476
  315   HD12  LEU  36          2HD1      LEU  36   1.300  -4.268  -1.896
  316   HD13  LEU  36          3HD1      LEU  36   0.813  -4.166  -0.205
  317   HD21  LEU  36          3HD2      LEU  36  -0.480  -7.590   0.067
  318   HD22  LEU  36          1HD2      LEU  36  -1.480  -6.165  -0.221
  319   HD23  LEU  36          2HD2      LEU  36  -0.153  -6.093   0.939
  320    H    ASN  37           H        ASN  37  -2.385  -7.321  -3.332
  321    HA   ASN  37           HA       ASN  37  -2.057  -8.326  -6.038
  322    HB2  ASN  37           1HB      ASN  37  -4.312  -9.215  -6.171
  323    HB3  ASN  37           2HB      ASN  37  -3.455 -10.021  -4.865
  324   HD21  ASN  37          1HD2      ASN  37  -3.722  -8.051  -2.868
  325   HD22  ASN  37          2HD2      ASN  37  -5.390  -7.990  -2.421
  326    H    GLU  38           H        GLU  38  -3.400  -7.175  -7.559
  327    HA   GLU  38           HA       GLU  38  -3.101  -4.452  -7.230
  328    HB2  GLU  38           1HB      GLU  38  -4.965  -5.845  -9.156
  329    HB3  GLU  38           2HB      GLU  38  -4.394  -4.187  -9.295
  330    HG2  GLU  38           1HG      GLU  38  -3.055  -5.405 -10.769
  331    HG3  GLU  38           2HG      GLU  38  -2.046  -5.162  -9.342
  332    H    GLU  39           H        GLU  39  -5.957  -6.405  -6.593
  333    HA   GLU  39           HA       GLU  39  -7.866  -4.413  -6.258
  334    HB2  GLU  39           1HB      GLU  39  -8.429  -6.773  -6.208
  335    HB3  GLU  39           2HB      GLU  39  -7.484  -6.997  -4.742
  336    HG2  GLU  39           1HG      GLU  39  -9.770  -6.948  -4.116
  337    HG3  GLU  39           2HG      GLU  39  -9.047  -5.431  -3.590
  338    H    ALA  40           H        ALA  40  -5.749  -5.869  -3.806
  339    HA   ALA  40           HA       ALA  40  -6.522  -4.135  -1.704
  340    HB1  ALA  40           3HB      ALA  40  -4.783  -5.125  -0.432
  341    HB2  ALA  40           1HB      ALA  40  -3.909  -5.613  -1.887
  342    HB3  ALA  40           2HB      ALA  40  -5.427  -6.398  -1.470
  343    H    ILE  41           H        ILE  41  -3.970  -4.073  -4.101
  344    HA   ILE  41           HA       ILE  41  -2.366  -2.066  -3.021
  345    HB   ILE  41           HB       ILE  41  -2.872  -2.668  -5.942
  346   HG12  ILE  41          1HG1      ILE  41  -0.702  -3.633  -4.065
  347   HG13  ILE  41          2HG1      ILE  41  -2.059  -4.596  -4.649
  348   HG21  ILE  41          1HG2      ILE  41  -0.611  -1.155  -4.633
  349   HG22  ILE  41          2HG2      ILE  41  -1.874  -0.468  -5.654
  350   HG23  ILE  41          3HG2      ILE  41  -0.702  -1.591  -6.341
  351   HD11  ILE  41          3HD1      ILE  41   0.156  -3.439  -6.322
  352   HD12  ILE  41          1HD1      ILE  41  -1.221  -4.350  -6.939
  353   HD13  ILE  41          2HD1      ILE  41  -0.054  -5.132  -5.875
  354    H    ARG  42           H        ARG  42  -4.994  -1.820  -5.408
  355    HA   ARG  42           HA       ARG  42  -4.922   1.002  -5.538
  356    HB2  ARG  42           1HB      ARG  42  -5.790  -0.352  -7.354
  357    HB3  ARG  42           2HB      ARG  42  -7.077  -0.905  -6.311
  358    HG2  ARG  42           1HG      ARG  42  -8.026   1.284  -6.205
  359    HG3  ARG  42           2HG      ARG  42  -6.683   1.949  -7.136
  360    HD2  ARG  42           1HD      ARG  42  -7.327   0.622  -9.057
  361    HD3  ARG  42           2HD      ARG  42  -8.618  -0.141  -8.126
  362    HE   ARG  42           HE       ARG  42  -8.927   2.671  -8.086
  363   HH11  ARG  42          1HH1      ARG  42  -9.204  -0.043 -10.291
  364   HH12  ARG  42          2HH1      ARG  42 -10.510   0.671 -11.200
  365   HH21  ARG  42          1HH2      ARG  42 -10.615   3.605  -9.272
  366   HH22  ARG  42          2HH2      ARG  42 -11.309   2.756 -10.622
  367    H    GLN  43           H        GLN  43  -6.721  -1.279  -3.577
  368    HA   GLN  43           HA       GLN  43  -8.681   0.412  -2.540
  369    HB2  GLN  43           1HB      GLN  43  -8.687  -2.014  -2.157
  370    HB3  GLN  43           2HB      GLN  43  -7.250  -1.871  -1.145
  371    HG2  GLN  43           1HG      GLN  43  -8.535  -0.463   0.419
  372    HG3  GLN  43           2HG      GLN  43  -9.969  -0.704  -0.573
  373   HE21  GLN  43          1HE2      GLN  43 -11.023  -2.664  -0.536
  374   HE22  GLN  43          2HE2      GLN  43 -10.677  -3.894   0.639
  375    H    PHE  44           H        PHE  44  -5.358  -0.132  -1.528
  376    HA   PHE  44           HA       PHE  44  -5.504   1.218   0.928
  377    HB2  PHE  44           1HB      PHE  44  -3.726  -0.421   0.111
  378    HB3  PHE  44           2HB      PHE  44  -3.018   0.941  -0.751
  379    HD1  PHE  44           HD1      PHE  44  -3.900  -0.353   2.581
  380    HD2  PHE  44           HD2      PHE  44  -1.691   2.541   0.380
  381    HE1  PHE  44           HE1      PHE  44  -2.702   0.281   4.630
  382    HE2  PHE  44           HE2      PHE  44  -0.485   3.182   2.428
  383    HZ   PHE  44           HZ       PHE  44  -0.995   2.045   4.557
  384    H    PHE  45           H        PHE  45  -5.139   2.380  -2.323
  385    HA   PHE  45           HA       PHE  45  -4.149   4.961  -1.431
  386    HB2  PHE  45           1HB      PHE  45  -4.749   3.863  -4.175
  387    HB3  PHE  45           2HB      PHE  45  -4.256   5.529  -3.894
  388    HD1  PHE  45           HD1      PHE  45  -2.088   5.695  -2.307
  389    HD2  PHE  45           HD2      PHE  45  -3.106   2.405  -4.807
  390    HE1  PHE  45           HE1      PHE  45   0.275   5.013  -2.364
  391    HE2  PHE  45           HE2      PHE  45  -0.746   1.715  -4.863
  392    HZ   PHE  45           HZ       PHE  45   0.947   3.018  -3.642
  393    H    GLU  46           H        GLU  46  -7.082   3.681  -3.000
  394    HA   GLU  46           HA       GLU  46  -8.230   6.329  -3.097
  395    HB2  GLU  46           1HB      GLU  46  -9.206   3.627  -3.962
  396    HB3  GLU  46           2HB      GLU  46 -10.249   5.044  -3.998
  397    HG2  GLU  46           1HG      GLU  46  -8.532   6.154  -5.438
  398    HG3  GLU  46           2HG      GLU  46  -7.699   4.600  -5.520
  399    H    GLU  47           H        GLU  47  -8.517   3.537  -1.008
  400    HA   GLU  47           HA       GLU  47 -10.923   4.654   0.214
  401    HB2  GLU  47           1HB      GLU  47 -10.664   2.189  -0.275
  402    HB3  GLU  47           2HB      GLU  47  -9.446   2.138   0.992
  403    HG2  GLU  47           1HG      GLU  47 -11.066   2.770   2.646
  404    HG3  GLU  47           2HG      GLU  47 -12.296   3.008   1.405
  405    H    PHE  48           H        PHE  48  -7.738   5.186   0.428
  406    HA   PHE  48           HA       PHE  48  -7.326   5.297   3.268
  407    HB2  PHE  48           1HB      PHE  48  -5.663   5.198   1.164
  408    HB3  PHE  48           2HB      PHE  48  -5.719   6.944   1.381
  409    HD1  PHE  48           HD1      PHE  48  -5.481   3.985   3.650
  410    HD2  PHE  48           HD2      PHE  48  -3.888   7.762   2.495
  411    HE1  PHE  48           HE1      PHE  48  -3.778   3.808   5.418
  412    HE2  PHE  48           HE2      PHE  48  -2.185   7.589   4.259
  413    HZ   PHE  48           HZ       PHE  48  -2.129   5.609   5.724
  414    H    GLU  49           H        GLU  49  -6.123   7.855   3.522
  415    HA   GLU  49           HA       GLU  49  -8.339   9.603   3.844
  416    HB2  GLU  49           1HB      GLU  49  -6.674  11.246   4.525
  417    HB3  GLU  49           2HB      GLU  49  -6.323   9.687   5.261
  418    HG2  GLU  49           1HG      GLU  49  -4.641   9.285   3.475
  419    HG3  GLU  49           2HG      GLU  49  -4.931  10.923   2.893
  420    H    GLN  50           H        GLN  50  -6.567   8.704   1.164
  421    HA   GLN  50           HA       GLN  50  -6.542  11.247  -0.205
  422    HB2  GLN  50           1HB      GLN  50  -5.882   8.465  -1.187
  423    HB3  GLN  50           2HB      GLN  50  -5.604   9.952  -2.083
  424    HG2  GLN  50           1HG      GLN  50  -4.025  10.698  -0.397
  425    HG3  GLN  50           2HG      GLN  50  -4.335   9.247   0.554
  426   HE21  GLN  50          1HE2      GLN  50  -4.515   7.556  -1.820
  427   HE22  GLN  50          2HE2      GLN  50  -2.890   7.336  -2.369
  428    H    ARG  51           H        ARG  51  -9.106   9.906   0.623
  429    HA   ARG  51           HA       ARG  51 -10.497   9.027  -1.671
  430    HB2  ARG  51           1HB      ARG  51 -11.457  10.265   0.908
  431    HB3  ARG  51           2HB      ARG  51 -12.540   9.615  -0.317
  432    HG2  ARG  51           1HG      ARG  51 -11.775   7.427   0.031
  433    HG3  ARG  51           2HG      ARG  51 -10.359   7.987   0.921
  434    HD2  ARG  51           1HD      ARG  51 -11.754   8.746   2.735
  435    HD3  ARG  51           2HD      ARG  51 -13.209   8.286   1.849
  436    HE   ARG  51           HE       ARG  51 -11.256   6.198   2.432
  437   HH11  ARG  51          1HH1      ARG  51 -14.290   7.732   3.239
  438   HH12  ARG  51          2HH1      ARG  51 -14.900   6.368   4.127
  439   HH21  ARG  51          1HH2      ARG  51 -12.032   4.398   3.599
  440   HH22  ARG  51          2HH2      ARG  51 -13.614   4.452   4.318
  441    H    LYS  52           H        LYS  52 -10.893  10.190  -3.436
  442    HA   LYS  52           HA       LYS  52 -11.688  12.994  -3.132
  443    HB2  LYS  52           1HB      LYS  52  -9.699  12.007  -5.192
  444    HB3  LYS  52           2HB      LYS  52 -10.309  13.650  -5.048
  445    HG2  LYS  52           1HG      LYS  52  -9.237  13.868  -2.872
  446    HG3  LYS  52           2HG      LYS  52  -8.642  12.212  -2.991
  447    HD2  LYS  52           1HD      LYS  52  -7.450  12.885  -5.086
  448    HD3  LYS  52           2HD      LYS  52  -7.922  14.550  -4.748
  449    HE2  LYS  52           1HE      LYS  52  -6.239  12.785  -2.973
  450    HE3  LYS  52           2HE      LYS  52  -5.649  14.103  -3.983
  451    HZ1  LYS  52           3HZ      LYS  52  -7.133  15.596  -2.660
  452    HZ2  LYS  52           1HZ      LYS  52  -5.841  14.922  -1.789
  453    HZ3  LYS  52           2HZ      LYS  52  -7.402  14.295  -1.596
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1 -11.179 -14.290   1.176
    2    H2   MET   1           2H       MET   1 -12.054 -14.783   2.539
    3    H3   MET   1           3H       MET   1 -11.612 -15.918   1.364
    4    HA   MET   1           HA       MET   1 -10.236 -16.066   3.348
    5    HB2  MET   1           1HB      MET   1  -9.282 -16.722   1.183
    6    HB3  MET   1           2HB      MET   1  -8.804 -15.059   0.874
    7    HG2  MET   1           1HG      MET   1  -7.308 -15.159   2.831
    8    HG3  MET   1           2HG      MET   1  -7.745 -16.853   3.046
    9    HE1  MET   1           3HE      MET   1  -4.749 -15.694   2.731
   10    HE2  MET   1           1HE      MET   1  -4.037 -16.917   1.678
   11    HE3  MET   1           2HE      MET   1  -5.095 -17.403   3.004
   12    H    LYS   2           H        LYS   2  -8.917 -13.301   1.577
   13    HA   LYS   2           HA       LYS   2  -9.097 -11.588   3.906
   14    HB2  LYS   2           1HB      LYS   2  -6.497 -12.660   2.834
   15    HB3  LYS   2           2HB      LYS   2  -6.563 -11.102   3.643
   16    HG2  LYS   2           1HG      LYS   2  -7.243 -12.085   5.683
   17    HG3  LYS   2           2HG      LYS   2  -7.578 -13.632   4.905
   18    HD2  LYS   2           1HD      LYS   2  -5.245 -14.009   4.513
   19    HD3  LYS   2           2HD      LYS   2  -4.839 -12.385   5.069
   20    HE2  LYS   2           1HE      LYS   2  -4.398 -14.188   6.740
   21    HE3  LYS   2           2HE      LYS   2  -5.476 -12.915   7.309
   22    HZ1  LYS   2           3HZ      LYS   2  -6.228 -15.169   7.899
   23    HZ2  LYS   2           1HZ      LYS   2  -6.384 -15.543   6.252
   24    HZ3  LYS   2           2HZ      LYS   2  -7.356 -14.336   6.945
   25    H    GLN   3           H        GLN   3  -8.124  -9.390   3.352
   26    HA   GLN   3           HA       GLN   3  -9.095  -8.690   0.698
   27    HB2  GLN   3           1HB      GLN   3  -8.169  -6.967   3.010
   28    HB3  GLN   3           2HB      GLN   3  -8.781  -6.343   1.489
   29    HG2  GLN   3           1HG      GLN   3 -10.570  -6.188   2.981
   30    HG3  GLN   3           2HG      GLN   3 -10.921  -7.609   2.000
   31   HE21  GLN   3          1HE2      GLN   3 -11.012  -9.602   2.958
   32   HE22  GLN   3          2HE2      GLN   3 -10.879  -9.848   4.675
   33    H    TRP   4           H        TRP   4  -6.239  -8.111   2.711
   34    HA   TRP   4           HA       TRP   4  -4.527  -8.824   0.514
   35    HB2  TRP   4           1HB      TRP   4  -3.079  -6.749   1.120
   36    HB3  TRP   4           2HB      TRP   4  -4.465  -6.507   0.064
   37    HD1  TRP   4           HD1      TRP   4  -3.281  -5.790   3.631
   38    HE1  TRP   4           HE1      TRP   4  -4.731  -3.903   4.634
   39    HE3  TRP   4           HE3      TRP   4  -6.739  -5.394  -0.082
   40    HZ2  TRP   4           HZ2      TRP   4  -7.032  -2.452   3.928
   41    HZ3  TRP   4           HZ3      TRP   4  -8.539  -3.730   0.150
   42    HH2  TRP   4           HH2      TRP   4  -8.682  -2.291   2.114
   43    H    SER   5           H        SER   5  -2.251  -9.113   1.476
   44    HA   SER   5           HA       SER   5  -2.235 -10.482   3.877
   45    HB2  SER   5           1HB      SER   5   0.012  -8.824   2.701
   46    HB3  SER   5           2HB      SER   5   0.199 -10.083   3.919
   47    HG   SER   5           HG       SER   5  -0.050 -10.306   1.208
   48    H    GLU   6           H        GLU   6  -2.682  -9.790   5.904
   49    HA   GLU   6           HA       GLU   6  -3.351  -7.065   6.319
   50    HB2  GLU   6           1HB      GLU   6  -4.353  -9.097   7.472
   51    HB3  GLU   6           2HB      GLU   6  -2.924  -9.104   8.498
   52    HG2  GLU   6           1HG      GLU   6  -3.472  -6.993   9.425
   53    HG3  GLU   6           2HG      GLU   6  -4.728  -6.718   8.219
   54    H    ASN   7           H        ASN   7  -0.451  -8.838   6.666
   55    HA   ASN   7           HA       ASN   7   0.986  -7.103   8.368
   56    HB2  ASN   7           1HB      ASN   7   2.079  -8.650   6.005
   57    HB3  ASN   7           2HB      ASN   7   2.988  -8.070   7.395
   58   HD21  ASN   7          1HD2      ASN   7   2.653 -10.748   6.283
   59   HD22  ASN   7          2HD2      ASN   7   2.060 -11.725   7.587
   60    H    VAL   8           H        VAL   8  -0.188  -6.821   5.131
   61    HA   VAL   8           HA       VAL   8   1.755  -4.867   4.258
   62    HB   VAL   8           HB       VAL   8  -0.872  -5.824   3.110
   63   HG11  VAL   8          1HG1      VAL   8   1.073  -3.980   1.756
   64   HG12  VAL   8          2HG1      VAL   8  -0.404  -3.433   2.552
   65   HG13  VAL   8          3HG1      VAL   8  -0.496  -4.516   1.165
   66   HG21  VAL   8          3HG2      VAL   8   0.550  -6.831   1.388
   67   HG22  VAL   8          1HG2      VAL   8   0.940  -7.437   2.998
   68   HG23  VAL   8          2HG2      VAL   8   1.982  -6.237   2.231
   69    H    GLU   9           H        GLU   9  -1.528  -4.937   5.466
   70    HA   GLU   9           HA       GLU   9  -2.403  -2.364   5.262
   71    HB2  GLU   9           1HB      GLU   9  -3.680  -4.229   6.245
   72    HB3  GLU   9           2HB      GLU   9  -2.623  -4.225   7.647
   73    HG2  GLU   9           1HG      GLU   9  -4.646  -3.156   8.262
   74    HG3  GLU   9           2HG      GLU   9  -3.405  -1.910   8.136
   75    H    GLU  10           H        GLU  10  -0.505  -3.681   7.942
   76    HA   GLU  10           HA       GLU  10  -0.073  -1.227   9.258
   77    HB2  GLU  10           1HB      GLU  10   0.114  -3.203  10.521
   78    HB3  GLU  10           2HB      GLU  10   1.233  -3.929   9.376
   79    HG2  GLU  10           1HG      GLU  10   2.949  -2.307  10.046
   80    HG3  GLU  10           2HG      GLU  10   1.821  -1.620  11.222
   81    H    LYS  11           H        LYS  11   2.155  -3.193   7.286
   82    HA   LYS  11           HA       LYS  11   4.347  -1.468   7.656
   83    HB2  LYS  11           1HB      LYS  11   4.560  -3.839   7.076
   84    HB3  LYS  11           2HB      LYS  11   3.869  -3.520   5.492
   85    HG2  LYS  11           1HG      LYS  11   5.788  -2.038   4.996
   86    HG3  LYS  11           2HG      LYS  11   6.493  -2.487   6.550
   87    HD2  LYS  11           1HD      LYS  11   5.825  -4.395   4.308
   88    HD3  LYS  11           2HD      LYS  11   7.437  -3.791   4.693
   89    HE2  LYS  11           1HE      LYS  11   5.725  -5.331   6.635
   90    HE3  LYS  11           2HE      LYS  11   6.912  -6.084   5.573
   91    HZ1  LYS  11           3HZ      LYS  11   7.700  -5.580   7.871
   92    HZ2  LYS  11           1HZ      LYS  11   7.590  -3.930   7.499
   93    HZ3  LYS  11           2HZ      LYS  11   8.662  -4.927   6.634
   94    H    LEU  12           H        LEU  12   2.015  -1.756   5.003
   95    HA   LEU  12           HA       LEU  12   3.413  -0.013   3.247
   96    HB2  LEU  12           1HB      LEU  12   1.762  -1.742   2.581
   97    HB3  LEU  12           2HB      LEU  12   0.485  -0.739   3.229
   98    HG   LEU  12           HG       LEU  12   1.087   1.008   1.572
   99   HD11  LEU  12          1HD1      LEU  12   3.420   0.377   1.223
  100   HD12  LEU  12          2HD1      LEU  12   2.539   0.374  -0.304
  101   HD13  LEU  12          3HD1      LEU  12   2.907  -1.147   0.503
  102   HD21  LEU  12          3HD2      LEU  12  -0.718  -0.598   1.151
  103   HD22  LEU  12          1HD2      LEU  12   0.443  -1.692   0.398
  104   HD23  LEU  12          2HD2      LEU  12   0.101  -0.126  -0.341
  105    H    LYS  13           H        LYS  13   0.773   0.441   5.546
  106    HA   LYS  13           HA       LYS  13   0.080   3.076   5.094
  107    HB2  LYS  13           1HB      LYS  13  -1.085   1.780   6.741
  108    HB3  LYS  13           2HB      LYS  13   0.374   1.540   7.677
  109    HG2  LYS  13           1HG      LYS  13   0.387   4.007   8.053
  110    HG3  LYS  13           2HG      LYS  13  -1.220   4.061   7.339
  111    HD2  LYS  13           1HD      LYS  13  -2.078   2.582   9.033
  112    HD3  LYS  13           2HD      LYS  13  -0.461   2.332   9.695
  113    HE2  LYS  13           1HE      LYS  13  -1.657   3.878  11.105
  114    HE3  LYS  13           2HE      LYS  13  -0.377   4.748  10.267
  115    HZ1  LYS  13           3HZ      LYS  13  -2.081   5.496   8.651
  116    HZ2  LYS  13           1HZ      LYS  13  -2.356   6.046  10.230
  117    HZ3  LYS  13           2HZ      LYS  13  -3.271   4.764   9.611
  118    H    GLU  14           H        GLU  14   2.770   1.788   6.972
  119    HA   GLU  14           HA       GLU  14   3.673   4.417   7.688
  120    HB2  GLU  14           1HB      GLU  14   5.089   1.791   8.100
  121    HB3  GLU  14           2HB      GLU  14   5.396   3.307   8.940
  122    HG2  GLU  14           1HG      GLU  14   2.962   3.140   9.716
  123    HG3  GLU  14           2HG      GLU  14   3.059   1.459   9.197
  124    H    PHE  15           H        PHE  15   4.384   2.110   5.191
  125    HA   PHE  15           HA       PHE  15   6.972   3.194   4.598
  126    HB2  PHE  15           1HB      PHE  15   6.337   0.822   4.211
  127    HB3  PHE  15           2HB      PHE  15   5.239   1.356   2.948
  128    HD1  PHE  15           HD1      PHE  15   8.797   1.919   3.915
  129    HD2  PHE  15           HD2      PHE  15   6.021   1.074   0.803
  130    HE1  PHE  15           HE1      PHE  15  10.648   1.801   2.301
  131    HE2  PHE  15           HE2      PHE  15   7.868   0.957  -0.813
  132    HZ   PHE  15           HZ       PHE  15  10.185   1.322  -0.066
  133    H    VAL  16           H        VAL  16   3.705   3.839   3.611
  134    HA   VAL  16           HA       VAL  16   4.615   5.560   1.439
  135    HB   VAL  16           HB       VAL  16   1.809   5.045   2.459
  136   HG11  VAL  16          1HG1      VAL  16   2.003   7.247   1.416
  137   HG12  VAL  16          2HG1      VAL  16   1.062   6.148   0.406
  138   HG13  VAL  16          3HG1      VAL  16   2.737   6.513  -0.011
  139   HG21  VAL  16          3HG2      VAL  16   3.288   3.993   0.054
  140   HG22  VAL  16          1HG2      VAL  16   1.564   3.768   0.359
  141   HG23  VAL  16          2HG2      VAL  16   2.753   3.071   1.458
  142    H    LYS  17           H        LYS  17   2.540   5.964   4.328
  143    HA   LYS  17           HA       LYS  17   2.594   8.804   4.139
  144    HB2  LYS  17           1HB      LYS  17   0.683   7.603   5.065
  145    HB3  LYS  17           2HB      LYS  17   1.673   7.015   6.390
  146    HG2  LYS  17           1HG      LYS  17   0.304   8.825   7.161
  147    HG3  LYS  17           2HG      LYS  17   1.992   9.343   7.142
  148    HD2  LYS  17           1HD      LYS  17   1.608  10.495   5.014
  149    HD3  LYS  17           2HD      LYS  17  -0.075   9.966   5.028
  150    HE2  LYS  17           1HE      LYS  17   1.211  11.718   7.121
  151    HE3  LYS  17           2HE      LYS  17   0.226  12.300   5.783
  152    HZ1  LYS  17           3HZ      LYS  17  -1.661  11.116   6.652
  153    HZ2  LYS  17           1HZ      LYS  17  -1.018  12.105   7.869
  154    HZ3  LYS  17           2HZ      LYS  17  -0.730  10.437   7.891
  155    H    ARG  18           H        ARG  18   4.252   6.483   6.278
  156    HA   ARG  18           HA       ARG  18   5.476   8.699   7.726
  157    HB2  ARG  18           1HB      ARG  18   5.695   5.723   8.214
  158    HB3  ARG  18           2HB      ARG  18   6.327   6.984   9.262
  159    HG2  ARG  18           1HG      ARG  18   4.032   7.780   9.656
  160    HG3  ARG  18           2HG      ARG  18   3.420   6.461   8.660
  161    HD2  ARG  18           1HD      ARG  18   3.233   5.762  10.928
  162    HD3  ARG  18           2HD      ARG  18   4.588   4.871  10.232
  163    HE   ARG  18           HE       ARG  18   5.609   7.194  11.391
  164   HH11  ARG  18          1HH1      ARG  18   4.122   4.180  12.387
  165   HH12  ARG  18          2HH1      ARG  18   4.771   4.247  13.993
  166   HH21  ARG  18          1HH2      ARG  18   6.495   7.266  13.474
  167   HH22  ARG  18          2HH2      ARG  18   6.128   5.999  14.618
  168    H    HIS  19           H        HIS  19   6.185   7.321   4.910
  169    HA   HIS  19           HA       HIS  19   9.081   7.525   5.362
  170    HB2  HIS  19           1HB      HIS  19   7.566   5.297   4.084
  171    HB3  HIS  19           2HB      HIS  19   9.138   5.716   3.420
  172    HD1  HIS  19           HD1      HIS  19   7.548   4.395   6.591
  173    HD2  HIS  19           HD2      HIS  19  11.292   4.860   4.851
  174    HE1  HIS  19           HE1      HIS  19   9.169   3.086   8.029
  175    H    GLN  20           H        GLN  20   9.495   6.753   2.538
  176    HA   GLN  20           HA       GLN  20   9.681   9.412   1.564
  177    HB2  GLN  20           1HB      GLN  20  10.826   8.427  -0.326
  178    HB3  GLN  20           2HB      GLN  20  11.388   7.681   1.165
  179    HG2  GLN  20           1HG      GLN  20   9.954   5.758   0.758
  180    HG3  GLN  20           2HG      GLN  20   9.356   6.515  -0.713
  181   HE21  GLN  20          1HE2      GLN  20  12.032   7.575  -1.375
  182   HE22  GLN  20          2HE2      GLN  20  12.924   6.212  -1.976
  183    H    ARG  21           H        ARG  21   7.059   7.455   1.575
  184    HA   ARG  21           HA       ARG  21   5.018   7.579   0.592
  185    HB2  ARG  21           1HB      ARG  21   5.718  10.067   0.247
  186    HB3  ARG  21           2HB      ARG  21   5.968   9.587  -1.424
  187    HG2  ARG  21           1HG      ARG  21   3.608   8.739  -1.432
  188    HG3  ARG  21           2HG      ARG  21   3.406   9.501   0.146
  189    HD2  ARG  21           1HD      ARG  21   2.591  11.056  -1.424
  190    HD3  ARG  21           2HD      ARG  21   4.183  11.649  -0.951
  191    HE   ARG  21           HE       ARG  21   4.236   9.971  -3.283
  192   HH11  ARG  21          1HH1      ARG  21   3.858  13.270  -2.132
  193   HH12  ARG  21          2HH1      ARG  21   4.166  13.969  -3.696
  194   HH21  ARG  21          1HH2      ARG  21   4.651  10.887  -5.301
  195   HH22  ARG  21          2HH2      ARG  21   4.626  12.613  -5.505
  196    H    ILE  22           H        ILE  22   7.714   7.714  -1.662
  197    HA   ILE  22           HA       ILE  22   8.430   6.451  -3.350
  198    HB   ILE  22           HB       ILE  22   8.309   4.678  -1.612
  199   HG12  ILE  22          1HG1      ILE  22   7.822   3.773  -4.457
  200   HG13  ILE  22          2HG1      ILE  22   9.371   4.278  -3.788
  201   HG21  ILE  22          1HG2      ILE  22   6.592   2.926  -1.824
  202   HG22  ILE  22          2HG2      ILE  22   5.721   3.948  -2.968
  203   HG23  ILE  22          3HG2      ILE  22   5.926   4.472  -1.299
  204   HD11  ILE  22          3HD1      ILE  22   9.194   1.858  -3.939
  205   HD12  ILE  22          1HD1      ILE  22   7.766   1.894  -2.904
  206   HD13  ILE  22          2HD1      ILE  22   9.331   2.388  -2.263
  207    H    THR  23           H        THR  23   8.106   6.027  -5.445
  208    HA   THR  23           HA       THR  23   5.600   6.675  -6.625
  209    HB   THR  23           HB       THR  23   6.780   5.856  -8.748
  210    HG1  THR  23           HG1      THR  23   9.204   5.860  -8.248
  211   HG21  THR  23          3HG2      THR  23   8.088   8.015  -7.085
  212   HG22  THR  23          1HG2      THR  23   6.673   8.217  -8.121
  213   HG23  THR  23          2HG2      THR  23   8.240   7.830  -8.833
  214    H    GLN  24           H        GLN  24   4.272   5.288  -7.927
  215    HA   GLN  24           HA       GLN  24   3.691   2.895  -6.505
  216    HB2  GLN  24           1HB      GLN  24   1.990   4.391  -7.568
  217    HB3  GLN  24           2HB      GLN  24   2.511   3.792  -9.136
  218    HG2  GLN  24           1HG      GLN  24   1.798   1.569  -8.591
  219    HG3  GLN  24           2HG      GLN  24   1.436   2.047  -6.934
  220   HE21  GLN  24          1HE2      GLN  24   0.298   4.612  -7.813
  221   HE22  GLN  24          2HE2      GLN  24  -1.260   4.229  -8.454
  222    H    GLU  25           H        GLU  25   5.464   3.558  -9.432
  223    HA   GLU  25           HA       GLU  25   5.429   0.987 -10.570
  224    HB2  GLU  25           1HB      GLU  25   6.304   2.997 -11.723
  225    HB3  GLU  25           2HB      GLU  25   7.672   3.019 -10.620
  226    HG2  GLU  25           1HG      GLU  25   8.301   2.059 -12.747
  227    HG3  GLU  25           2HG      GLU  25   8.398   0.847 -11.470
  228    H    GLU  26           H        GLU  26   7.877   2.482  -8.461
  229    HA   GLU  26           HA       GLU  26   9.350   0.131  -7.998
  230    HB2  GLU  26           1HB      GLU  26   9.069   2.661  -6.379
  231    HB3  GLU  26           2HB      GLU  26  10.215   1.386  -5.994
  232    HG2  GLU  26           1HG      GLU  26  10.149   2.898  -8.592
  233    HG3  GLU  26           2HG      GLU  26  11.209   3.274  -7.233
  234    H    LEU  27           H        LEU  27   6.531   1.508  -6.481
  235    HA   LEU  27           HA       LEU  27   6.554  -0.080  -4.144
  236    HB2  LEU  27           1HB      LEU  27   5.325   2.050  -4.415
  237    HB3  LEU  27           2HB      LEU  27   4.232   1.259  -5.527
  238    HG   LEU  27           HG       LEU  27   4.475   0.114  -2.784
  239   HD11  LEU  27          1HD1      LEU  27   4.292   2.335  -2.116
  240   HD12  LEU  27          2HD1      LEU  27   2.616   1.784  -2.168
  241   HD13  LEU  27          3HD1      LEU  27   3.268   2.761  -3.482
  242   HD21  LEU  27          3HD2      LEU  27   2.088  -0.298  -3.129
  243   HD22  LEU  27          1HD2      LEU  27   3.033  -0.940  -4.474
  244   HD23  LEU  27          2HD2      LEU  27   2.149   0.575  -4.661
  245    H    HIS  28           H        HIS  28   5.310  -0.610  -7.392
  246    HA   HIS  28           HA       HIS  28   3.677  -2.831  -6.680
  247    HB2  HIS  28           1HB      HIS  28   3.401  -1.522  -8.798
  248    HB3  HIS  28           2HB      HIS  28   4.880  -2.275  -9.399
  249    HD1  HIS  28           HD1      HIS  28   4.776  -4.900  -9.793
  250    HD2  HIS  28           HD2      HIS  28   1.145  -3.073  -8.940
  251    HE1  HIS  28           HE1      HIS  28   2.998  -6.629 -10.215
  252    H    GLN  29           H        GLN  29   7.019  -2.527  -7.809
  253    HA   GLN  29           HA       GLN  29   7.677  -5.258  -7.909
  254    HB2  GLN  29           1HB      GLN  29   9.066  -3.140  -8.538
  255    HB3  GLN  29           2HB      GLN  29   9.542  -3.134  -6.851
  256    HG2  GLN  29           1HG      GLN  29   9.991  -5.450  -8.719
  257    HG3  GLN  29           2HG      GLN  29  11.174  -4.185  -8.407
  258   HE21  GLN  29          1HE2      GLN  29   9.708  -7.062  -7.267
  259   HE22  GLN  29          2HE2      GLN  29  10.668  -7.248  -5.833
  260    H    TYR  30           H        TYR  30   7.679  -2.901  -5.307
  261    HA   TYR  30           HA       TYR  30   8.550  -4.637  -3.247
  262    HB2  TYR  30           1HB      TYR  30   8.629  -2.114  -3.247
  263    HB3  TYR  30           2HB      TYR  30   6.894  -2.122  -2.976
  264    HD1  TYR  30           HD1      TYR  30   9.827  -3.906  -1.499
  265    HD2  TYR  30           HD2      TYR  30   6.321  -1.603  -0.811
  266    HE1  TYR  30           HE1      TYR  30  10.243  -4.012   0.919
  267    HE2  TYR  30           HE2      TYR  30   6.727  -1.701   1.614
  268    HH   TYR  30           HH       TYR  30   9.635  -2.632   2.954
  269    H    ALA  31           H        ALA  31   5.566  -4.366  -4.909
  270    HA   ALA  31           HA       ALA  31   3.845  -5.124  -2.757
  271    HB1  ALA  31           3HB      ALA  31   2.155  -5.486  -4.502
  272    HB2  ALA  31           1HB      ALA  31   3.399  -5.309  -5.741
  273    HB3  ALA  31           2HB      ALA  31   2.975  -3.938  -4.715
  274    H    GLN  32           H        GLN  32   5.559  -6.798  -5.326
  275    HA   GLN  32           HA       GLN  32   4.494  -9.378  -4.757
  276    HB2  GLN  32           1HB      GLN  32   7.129  -8.710  -6.084
  277    HB3  GLN  32           2HB      GLN  32   6.257 -10.232  -6.190
  278    HG2  GLN  32           1HG      GLN  32   5.423  -7.577  -7.331
  279    HG3  GLN  32           2HG      GLN  32   5.938  -9.008  -8.218
  280   HE21  GLN  32          1HE2      GLN  32   3.462  -7.460  -8.340
  281   HE22  GLN  32          2HE2      GLN  32   2.175  -8.576  -8.042
  282    H    ARG  33           H        ARG  33   7.089  -7.462  -3.513
  283    HA   ARG  33           HA       ARG  33   8.490  -9.524  -2.152
  284    HB2  ARG  33           1HB      ARG  33   9.522  -7.380  -2.748
  285    HB3  ARG  33           2HB      ARG  33   8.428  -6.536  -1.671
  286    HG2  ARG  33           1HG      ARG  33  10.253  -8.642  -0.592
  287    HG3  ARG  33           2HG      ARG  33  10.855  -7.017  -0.921
  288    HD2  ARG  33           1HD      ARG  33   9.162  -6.077   0.548
  289    HD3  ARG  33           2HD      ARG  33   8.507  -7.685   0.846
  290    HE   ARG  33           HE       ARG  33  11.089  -6.662   1.812
  291   HH11  ARG  33          1HH1      ARG  33   8.599  -9.123   1.816
  292   HH12  ARG  33          2HH1      ARG  33   9.099  -9.818   3.331
  293   HH21  ARG  33          1HH2      ARG  33  11.747  -7.550   3.819
  294   HH22  ARG  33          2HH2      ARG  33  10.903  -8.930   4.457
  295    H    LEU  34           H        LEU  34   5.729  -7.519  -1.302
  296    HA   LEU  34           HA       LEU  34   5.849  -8.362   1.478
  297    HB2  LEU  34           1HB      LEU  34   3.925  -6.552   0.028
  298    HB3  LEU  34           2HB      LEU  34   3.901  -6.870   1.745
  299    HG   LEU  34           HG       LEU  34   6.001  -5.387   0.188
  300   HD11  LEU  34          1HD1      LEU  34   4.168  -4.590   2.447
  301   HD12  LEU  34          2HD1      LEU  34   4.012  -4.109   0.756
  302   HD13  LEU  34          3HD1      LEU  34   5.392  -3.564   1.705
  303   HD21  LEU  34          3HD2      LEU  34   7.174  -6.765   1.766
  304   HD22  LEU  34          1HD2      LEU  34   6.055  -6.317   3.056
  305   HD23  LEU  34          2HD2      LEU  34   7.145  -5.109   2.375
  306    H    GLY  35           H        GLY  35   4.195  -9.207  -1.430
  307    HA2  GLY  35           1HA      GLY  35   2.748 -11.069  -1.673
  308    HA3  GLY  35           2HA      GLY  35   2.440 -11.024   0.064
  309    H    LEU  36           H        LEU  36   2.347  -8.382  -2.239
  310    HA   LEU  36           HA       LEU  36  -0.268  -7.616  -1.272
  311    HB2  LEU  36           1HB      LEU  36   1.967  -6.337  -2.647
  312    HB3  LEU  36           2HB      LEU  36   0.397  -5.858  -3.262
  313    HG   LEU  36           HG       LEU  36   1.119  -5.716  -0.345
  314   HD11  LEU  36          1HD1      LEU  36   1.344  -3.263  -0.767
  315   HD12  LEU  36          2HD1      LEU  36   1.343  -3.616  -2.495
  316   HD13  LEU  36          3HD1      LEU  36   2.631  -4.240  -1.465
  317   HD21  LEU  36          3HD2      LEU  36  -0.793  -4.164  -0.301
  318   HD22  LEU  36          1HD2      LEU  36  -1.250  -5.794  -0.797
  319   HD23  LEU  36          2HD2      LEU  36  -1.088  -4.517  -2.004
  320    H    ASN  37           H        ASN  37  -2.096  -7.585  -2.406
  321    HA   ASN  37           HA       ASN  37  -2.029  -8.549  -5.171
  322    HB2  ASN  37           1HB      ASN  37  -4.498  -9.033  -4.785
  323    HB3  ASN  37           2HB      ASN  37  -3.359 -10.074  -3.950
  324   HD21  ASN  37          1HD2      ASN  37  -4.087  -6.799  -2.845
  325   HD22  ASN  37          2HD2      ASN  37  -4.984  -7.298  -1.438
  326    H    GLU  38           H        GLU  38  -3.646  -7.561  -6.620
  327    HA   GLU  38           HA       GLU  38  -3.219  -4.792  -6.668
  328    HB2  GLU  38           1HB      GLU  38  -5.133  -6.497  -8.257
  329    HB3  GLU  38           2HB      GLU  38  -4.825  -4.797  -8.591
  330    HG2  GLU  38           1HG      GLU  38  -2.449  -5.322  -8.932
  331    HG3  GLU  38           2HG      GLU  38  -2.808  -7.029  -8.676
  332    H    GLU  39           H        GLU  39  -5.628  -6.560  -5.031
  333    HA   GLU  39           HA       GLU  39  -7.779  -4.851  -4.840
  334    HB2  GLU  39           1HB      GLU  39  -7.853  -6.962  -3.715
  335    HB3  GLU  39           2HB      GLU  39  -6.410  -6.593  -2.785
  336    HG2  GLU  39           1HG      GLU  39  -8.307  -6.469  -1.347
  337    HG3  GLU  39           2HG      GLU  39  -7.667  -4.844  -1.584
  338    H    ALA  40           H        ALA  40  -4.990  -4.943  -2.660
  339    HA   ALA  40           HA       ALA  40  -5.658  -2.428  -1.477
  340    HB1  ALA  40           3HB      ALA  40  -4.573  -4.071  -0.118
  341    HB2  ALA  40           1HB      ALA  40  -3.500  -2.683  -0.284
  342    HB3  ALA  40           2HB      ALA  40  -3.205  -4.145  -1.223
  343    H    ILE  41           H        ILE  41  -3.527  -3.492  -4.044
  344    HA   ILE  41           HA       ILE  41  -1.850  -1.262  -4.145
  345    HB   ILE  41           HB       ILE  41  -2.744  -3.000  -6.450
  346   HG12  ILE  41          1HG1      ILE  41  -0.321  -3.142  -4.642
  347   HG13  ILE  41          2HG1      ILE  41  -1.687  -4.251  -4.618
  348   HG21  ILE  41          1HG2      ILE  41  -1.799  -0.894  -7.241
  349   HG22  ILE  41          2HG2      ILE  41  -0.702  -2.236  -7.571
  350   HG23  ILE  41          3HG2      ILE  41  -0.375  -1.142  -6.226
  351   HD11  ILE  41          3HD1      ILE  41  -1.108  -5.047  -6.832
  352   HD12  ILE  41          1HD1      ILE  41   0.268  -5.196  -5.740
  353   HD13  ILE  41          2HD1      ILE  41   0.219  -3.887  -6.922
  354    H    ARG  42           H        ARG  42  -5.092  -1.764  -5.400
  355    HA   ARG  42           HA       ARG  42  -5.168   0.939  -6.495
  356    HB2  ARG  42           1HB      ARG  42  -6.379  -0.607  -7.820
  357    HB3  ARG  42           2HB      ARG  42  -7.152  -1.330  -6.415
  358    HG2  ARG  42           1HG      ARG  42  -8.293   0.895  -6.068
  359    HG3  ARG  42           2HG      ARG  42  -7.691   1.340  -7.663
  360    HD2  ARG  42           1HD      ARG  42  -8.935  -0.375  -8.713
  361    HD3  ARG  42           2HD      ARG  42  -9.318  -1.135  -7.168
  362    HE   ARG  42           HE       ARG  42 -10.510   1.131  -6.749
  363   HH11  ARG  42          1HH1      ARG  42 -10.341  -0.602  -9.802
  364   HH12  ARG  42          2HH1      ARG  42 -11.872   0.003 -10.373
  365   HH21  ARG  42          1HH2      ARG  42 -12.512   1.907  -7.489
  366   HH22  ARG  42          2HH2      ARG  42 -13.097   1.452  -9.060
  367    H    GLN  43           H        GLN  43  -6.885  -0.969  -4.044
  368    HA   GLN  43           HA       GLN  43  -8.687   0.979  -3.232
  369    HB2  GLN  43           1HB      GLN  43  -8.674  -1.533  -2.762
  370    HB3  GLN  43           2HB      GLN  43  -7.583  -1.171  -1.433
  371    HG2  GLN  43           1HG      GLN  43  -9.857  -1.381  -0.644
  372    HG3  GLN  43           2HG      GLN  43  -9.265   0.266  -0.418
  373   HE21  GLN  43          1HE2      GLN  43 -11.347   1.099  -0.337
  374   HE22  GLN  43          2HE2      GLN  43 -12.322   1.266  -1.762
  375    H    PHE  44           H        PHE  44  -5.454   0.275  -2.005
  376    HA   PHE  44           HA       PHE  44  -5.739   1.797   0.382
  377    HB2  PHE  44           1HB      PHE  44  -4.095  -0.139  -0.253
  378    HB3  PHE  44           2HB      PHE  44  -3.085   1.173  -0.847
  379    HD1  PHE  44           HD1      PHE  44  -4.953   0.071   2.170
  380    HD2  PHE  44           HD2      PHE  44  -1.653   2.256   0.610
  381    HE1  PHE  44           HE1      PHE  44  -4.110   0.419   4.455
  382    HE2  PHE  44           HE2      PHE  44  -0.807   2.611   2.889
  383    HZ   PHE  44           HZ       PHE  44  -2.037   1.690   4.818
  384    H    PHE  45           H        PHE  45  -4.898   2.598  -2.868
  385    HA   PHE  45           HA       PHE  45  -3.731   5.151  -2.088
  386    HB2  PHE  45           1HB      PHE  45  -4.134   3.812  -4.758
  387    HB3  PHE  45           2HB      PHE  45  -3.609   5.486  -4.617
  388    HD1  PHE  45           HD1      PHE  45  -2.681   1.994  -4.110
  389    HD2  PHE  45           HD2      PHE  45  -1.415   6.041  -3.813
  390    HE1  PHE  45           HE1      PHE  45  -0.354   1.243  -3.863
  391    HE2  PHE  45           HE2      PHE  45   0.915   5.298  -3.567
  392    HZ   PHE  45           HZ       PHE  45   1.443   2.896  -3.594
  393    H    GLU  46           H        GLU  46  -6.637   3.887  -3.639
  394    HA   GLU  46           HA       GLU  46  -7.587   6.490  -4.382
  395    HB2  GLU  46           1HB      GLU  46  -9.212   5.398  -5.547
  396    HB3  GLU  46           2HB      GLU  46  -8.070   4.076  -5.365
  397    HG2  GLU  46           1HG      GLU  46  -9.331   3.118  -3.585
  398    HG3  GLU  46           2HG      GLU  46 -10.390   4.525  -3.511
  399    H    GLU  47           H        GLU  47  -7.851   4.455  -1.637
  400    HA   GLU  47           HA       GLU  47  -9.630   6.433  -0.378
  401    HB2  GLU  47           1HB      GLU  47 -10.795   4.302  -1.155
  402    HB3  GLU  47           2HB      GLU  47  -9.876   3.459   0.079
  403    HG2  GLU  47           1HG      GLU  47 -10.950   4.699   1.818
  404    HG3  GLU  47           2HG      GLU  47 -11.722   5.767   0.646
  405    H    PHE  48           H        PHE  48  -6.985   6.627  -0.084
  406    HA   PHE  48           HA       PHE  48  -5.933   5.084   2.084
  407    HB2  PHE  48           1HB      PHE  48  -4.508   6.011   0.278
  408    HB3  PHE  48           2HB      PHE  48  -4.857   7.631   0.852
  409    HD1  PHE  48           HD1      PHE  48  -3.890   4.475   2.598
  410    HD2  PHE  48           HD2      PHE  48  -2.968   8.546   1.767
  411    HE1  PHE  48           HE1      PHE  48  -1.951   4.344   4.107
  412    HE2  PHE  48           HE2      PHE  48  -1.029   8.421   3.274
  413    HZ   PHE  48           HZ       PHE  48  -0.518   6.316   4.447
  414    H    GLU  49           H        GLU  49  -6.205   8.617   1.878
  415    HA   GLU  49           HA       GLU  49  -7.765   8.905   4.215
  416    HB2  GLU  49           1HB      GLU  49  -6.099   9.985   5.678
  417    HB3  GLU  49           2HB      GLU  49  -5.733   8.293   5.395
  418    HG2  GLU  49           1HG      GLU  49  -3.992   8.870   3.845
  419    HG3  GLU  49           2HG      GLU  49  -4.416  10.580   3.951
  420    H    GLN  50           H        GLN  50  -5.567  10.281   1.856
  421    HA   GLN  50           HA       GLN  50  -6.737  12.924   2.106
  422    HB2  GLN  50           1HB      GLN  50  -4.839  11.844   0.002
  423    HB3  GLN  50           2HB      GLN  50  -5.229  13.536   0.289
  424    HG2  GLN  50           1HG      GLN  50  -4.214  13.382   2.510
  425    HG3  GLN  50           2HG      GLN  50  -3.783  11.703   2.190
  426   HE21  GLN  50          1HE2      GLN  50  -2.130  11.285   0.580
  427   HE22  GLN  50          2HE2      GLN  50  -1.011  12.524   0.149
  428    H    ARG  51           H        ARG  51  -7.822  10.148   1.113
  429    HA   ARG  51           HA       ARG  51  -9.639  11.198  -0.896
  430    HB2  ARG  51           1HB      ARG  51  -7.776   8.858  -1.306
  431    HB3  ARG  51           2HB      ARG  51  -9.238   9.071  -2.252
  432    HG2  ARG  51           1HG      ARG  51  -8.383  10.980  -3.305
  433    HG3  ARG  51           2HG      ARG  51  -7.081  11.142  -2.122
  434    HD2  ARG  51           1HD      ARG  51  -5.772   9.734  -3.239
  435    HD3  ARG  51           2HD      ARG  51  -7.070   8.552  -3.384
  436    HE   ARG  51           HE       ARG  51  -7.467  10.673  -5.213
  437   HH11  ARG  51          1HH1      ARG  51  -5.431   7.891  -4.646
  438   HH12  ARG  51          2HH1      ARG  51  -5.161   7.579  -6.335
  439   HH21  ARG  51          1HH2      ARG  51  -7.151  10.256  -7.443
  440   HH22  ARG  51          2HH2      ARG  51  -6.145   8.918  -7.919
  441    H    LYS  52           H        LYS  52 -11.641  10.431  -0.458
  442    HA   LYS  52           HA       LYS  52 -12.000   7.720   0.378
  443    HB2  LYS  52           1HB      LYS  52 -13.326   8.211   2.415
  444    HB3  LYS  52           2HB      LYS  52 -11.633   8.630   2.586
  445    HG2  LYS  52           1HG      LYS  52 -13.741  10.666   1.924
  446    HG3  LYS  52           2HG      LYS  52 -13.333  10.220   3.579
  447    HD2  LYS  52           1HD      LYS  52 -10.981  10.867   3.115
  448    HD3  LYS  52           2HD      LYS  52 -11.485  11.419   1.517
  449    HE2  LYS  52           1HE      LYS  52 -12.426  12.481   4.176
  450    HE3  LYS  52           2HE      LYS  52 -11.364  13.299   3.033
  451    HZ1  LYS  52           3HZ      LYS  52 -13.237  13.221   1.415
  452    HZ2  LYS  52           1HZ      LYS  52 -13.545  14.179   2.783
  453    HZ3  LYS  52           2HZ      LYS  52 -14.236  12.639   2.653
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1 -13.007  -5.505   6.149
    2    H2   MET   1           2H       MET   1 -14.432  -6.181   5.519
    3    H3   MET   1           3H       MET   1 -13.216  -5.638   4.472
    4    HA   MET   1           HA       MET   1 -12.886  -7.840   6.417
    5    HB2  MET   1           1HB      MET   1 -14.534  -8.374   4.619
    6    HB3  MET   1           2HB      MET   1 -13.303  -8.008   3.419
    7    HG2  MET   1           1HG      MET   1 -13.482 -10.388   3.705
    8    HG3  MET   1           2HG      MET   1 -11.921  -9.836   4.310
    9    HE1  MET   1           3HE      MET   1 -15.477 -10.981   7.021
   10    HE2  MET   1           1HE      MET   1 -15.513 -11.100   5.262
   11    HE3  MET   1           2HE      MET   1 -15.445  -9.517   6.038
   12    H    LYS   2           H        LYS   2 -10.880  -9.038   6.049
   13    HA   LYS   2           HA       LYS   2  -8.682  -7.333   5.368
   14    HB2  LYS   2           1HB      LYS   2  -8.728 -10.299   5.973
   15    HB3  LYS   2           2HB      LYS   2  -7.295  -9.278   5.927
   16    HG2  LYS   2           1HG      LYS   2  -8.080  -8.012   7.821
   17    HG3  LYS   2           2HG      LYS   2  -9.599  -8.907   7.828
   18    HD2  LYS   2           1HD      LYS   2  -8.287 -10.988   8.235
   19    HD3  LYS   2           2HD      LYS   2  -6.845  -9.985   8.403
   20    HE2  LYS   2           1HE      LYS   2  -9.340  -9.755  10.079
   21    HE3  LYS   2           2HE      LYS   2  -7.851 -10.553  10.581
   22    HZ1  LYS   2           3HZ      LYS   2  -8.016  -8.298  11.454
   23    HZ2  LYS   2           1HZ      LYS   2  -8.110  -7.674   9.880
   24    HZ3  LYS   2           2HZ      LYS   2  -6.691  -8.448  10.406
   25    H    GLN   3           H        GLN   3  -7.317  -7.455   3.625
   26    HA   GLN   3           HA       GLN   3  -8.280  -9.081   1.355
   27    HB2  GLN   3           1HB      GLN   3  -7.402  -6.193   1.394
   28    HB3  GLN   3           2HB      GLN   3  -7.525  -7.133  -0.086
   29    HG2  GLN   3           1HG      GLN   3  -9.861  -7.355   0.137
   30    HG3  GLN   3           2HG      GLN   3  -9.833  -6.754   1.795
   31   HE21  GLN   3          1HE2      GLN   3 -11.347  -5.168   1.260
   32   HE22  GLN   3          2HE2      GLN   3 -10.900  -3.755   0.367
   33    H    TRP   4           H        TRP   4  -5.560  -6.911   2.037
   34    HA   TRP   4           HA       TRP   4  -3.710  -8.800   0.845
   35    HB2  TRP   4           1HB      TRP   4  -2.007  -6.970   1.365
   36    HB3  TRP   4           2HB      TRP   4  -3.246  -6.575   0.186
   37    HD1  TRP   4           HD1      TRP   4  -5.058  -6.163   3.238
   38    HE1  TRP   4           HE1      TRP   4  -5.027  -3.741   4.089
   39    HE3  TRP   4           HE3      TRP   4  -1.148  -4.400   0.483
   40    HZ2  TRP   4           HZ2      TRP   4  -3.537  -1.385   3.639
   41    HZ3  TRP   4           HZ3      TRP   4  -0.481  -2.051   0.740
   42    HH2  TRP   4           HH2      TRP   4  -1.652  -0.574   2.292
   43    H    SER   5           H        SER   5  -1.622  -9.203   2.005
   44    HA   SER   5           HA       SER   5  -1.950 -10.543   4.388
   45    HB2  SER   5           1HB      SER   5  -0.007 -10.780   2.869
   46    HB3  SER   5           2HB      SER   5   0.576  -9.205   3.398
   47    HG   SER   5           HG       SER   5   1.366 -11.303   4.442
   48    H    GLU   6           H        GLU   6  -2.458  -9.804   6.374
   49    HA   GLU   6           HA       GLU   6  -2.809  -7.134   7.031
   50    HB2  GLU   6           1HB      GLU   6  -3.815  -9.072   8.223
   51    HB3  GLU   6           2HB      GLU   6  -2.254  -9.381   8.971
   52    HG2  GLU   6           1HG      GLU   6  -2.336  -7.220  10.079
   53    HG3  GLU   6           2HG      GLU   6  -3.875  -6.864   9.293
   54    H    ASN   7           H        ASN   7  -0.017  -9.204   7.571
   55    HA   ASN   7           HA       ASN   7   1.556  -7.472   9.107
   56    HB2  ASN   7           1HB      ASN   7   2.012  -9.906   8.521
   57    HB3  ASN   7           2HB      ASN   7   2.575  -9.344   6.955
   58   HD21  ASN   7          1HD2      ASN   7   3.933 -10.762   9.127
   59   HD22  ASN   7          2HD2      ASN   7   5.329  -9.808   9.501
   60    H    VAL   8           H        VAL   8   1.072  -7.700   5.624
   61    HA   VAL   8           HA       VAL   8   3.050  -5.749   4.958
   62    HB   VAL   8           HB       VAL   8   0.732  -6.794   3.332
   63   HG11  VAL   8          1HG1      VAL   8   2.003  -6.000   1.417
   64   HG12  VAL   8          2HG1      VAL   8   3.233  -5.345   2.496
   65   HG13  VAL   8          3HG1      VAL   8   1.598  -4.677   2.510
   66   HG21  VAL   8          3HG2      VAL   8   2.394  -8.264   2.303
   67   HG22  VAL   8          1HG2      VAL   8   2.228  -8.577   4.032
   68   HG23  VAL   8          2HG2      VAL   8   3.613  -7.666   3.430
   69    H    GLU   9           H        GLU   9  -0.424  -5.774   5.507
   70    HA   GLU   9           HA       GLU   9  -1.135  -3.243   4.613
   71    HB2  GLU   9           1HB      GLU   9  -2.760  -4.931   5.382
   72    HB3  GLU   9           2HB      GLU   9  -2.190  -4.729   7.036
   73    HG2  GLU   9           1HG      GLU   9  -2.944  -2.389   6.987
   74    HG3  GLU   9           2HG      GLU   9  -3.558  -2.640   5.355
   75    H    GLU  10           H        GLU  10   0.388  -4.236   7.619
   76    HA   GLU  10           HA       GLU  10   0.352  -1.686   8.868
   77    HB2  GLU  10           1HB      GLU  10   0.657  -3.620  10.238
   78    HB3  GLU  10           2HB      GLU  10   2.044  -4.152   9.295
   79    HG2  GLU  10           1HG      GLU  10   3.226  -2.074  10.042
   80    HG3  GLU  10           2HG      GLU  10   1.878  -1.778  11.138
   81    H    LYS  11           H        LYS  11   2.844  -3.438   7.015
   82    HA   LYS  11           HA       LYS  11   4.820  -1.434   7.437
   83    HB2  LYS  11           1HB      LYS  11   4.665  -3.887   5.763
   84    HB3  LYS  11           2HB      LYS  11   5.922  -2.709   5.414
   85    HG2  LYS  11           1HG      LYS  11   6.975  -4.148   6.869
   86    HG3  LYS  11           2HG      LYS  11   6.448  -2.852   7.935
   87    HD2  LYS  11           1HD      LYS  11   4.509  -4.197   8.599
   88    HD3  LYS  11           2HD      LYS  11   5.045  -5.497   7.531
   89    HE2  LYS  11           1HE      LYS  11   5.743  -6.084   9.712
   90    HE3  LYS  11           2HE      LYS  11   7.188  -5.538   8.863
   91    HZ1  LYS  11           3HZ      LYS  11   6.935  -3.375   9.939
   92    HZ2  LYS  11           1HZ      LYS  11   7.108  -4.621  11.076
   93    HZ3  LYS  11           2HZ      LYS  11   5.577  -3.948  10.788
   94    H    LEU  12           H        LEU  12   2.685  -2.193   4.719
   95    HA   LEU  12           HA       LEU  12   3.638  -0.314   2.883
   96    HB2  LEU  12           1HB      LEU  12   1.186  -1.852   3.312
   97    HB3  LEU  12           2HB      LEU  12   0.921  -0.338   2.473
   98    HG   LEU  12           HG       LEU  12   1.305  -2.472   1.085
   99   HD11  LEU  12          1HD1      LEU  12   2.911   0.009   0.560
  100   HD12  LEU  12          2HD1      LEU  12   1.219  -0.251   0.137
  101   HD13  LEU  12          3HD1      LEU  12   2.482  -1.211  -0.637
  102   HD21  LEU  12          3HD2      LEU  12   3.414  -3.294   0.756
  103   HD22  LEU  12          1HD2      LEU  12   3.447  -2.961   2.485
  104   HD23  LEU  12          2HD2      LEU  12   4.208  -1.840   1.350
  105    H    LYS  13           H        LYS  13   1.133   0.009   5.342
  106    HA   LYS  13           HA       LYS  13   0.369   2.621   5.014
  107    HB2  LYS  13           1HB      LYS  13  -0.772   1.326   6.612
  108    HB3  LYS  13           2HB      LYS  13   0.715   0.883   7.435
  109    HG2  LYS  13           1HG      LYS  13   0.897   3.336   8.077
  110    HG3  LYS  13           2HG      LYS  13  -0.782   3.474   7.547
  111    HD2  LYS  13           1HD      LYS  13  -1.495   1.838   9.139
  112    HD3  LYS  13           2HD      LYS  13   0.170   1.449   9.564
  113    HE2  LYS  13           1HE      LYS  13   0.442   3.751  10.434
  114    HE3  LYS  13           2HE      LYS  13  -1.262   4.050  10.085
  115    HZ1  LYS  13           3HZ      LYS  13  -0.215   1.980  11.944
  116    HZ2  LYS  13           1HZ      LYS  13  -1.852   2.282  11.617
  117    HZ3  LYS  13           2HZ      LYS  13  -0.915   3.455  12.402
  118    H    GLU  14           H        GLU  14   3.115   1.415   6.883
  119    HA   GLU  14           HA       GLU  14   3.824   4.050   7.753
  120    HB2  GLU  14           1HB      GLU  14   5.221   1.402   8.101
  121    HB3  GLU  14           2HB      GLU  14   5.672   2.898   8.913
  122    HG2  GLU  14           1HG      GLU  14   3.458   2.973   9.966
  123    HG3  GLU  14           2HG      GLU  14   3.047   1.446   9.187
  124    H    PHE  15           H        PHE  15   4.980   1.808   5.309
  125    HA   PHE  15           HA       PHE  15   7.448   3.182   4.934
  126    HB2  PHE  15           1HB      PHE  15   7.227   0.794   4.473
  127    HB3  PHE  15           2HB      PHE  15   6.050   1.128   3.211
  128    HD1  PHE  15           HD1      PHE  15   9.514   2.181   4.139
  129    HD2  PHE  15           HD2      PHE  15   6.818   1.004   1.059
  130    HE1  PHE  15           HE1      PHE  15  11.341   2.307   2.495
  131    HE2  PHE  15           HE2      PHE  15   8.640   1.129  -0.588
  132    HZ   PHE  15           HZ       PHE  15  10.904   1.782   0.128
  133    H    VAL  16           H        VAL  16   4.261   3.485   3.556
  134    HA   VAL  16           HA       VAL  16   5.195   5.067   1.331
  135    HB   VAL  16           HB       VAL  16   2.381   4.605   2.330
  136   HG11  VAL  16          1HG1      VAL  16   1.653   5.516   0.180
  137   HG12  VAL  16          2HG1      VAL  16   3.326   5.868  -0.246
  138   HG13  VAL  16          3HG1      VAL  16   2.561   6.717   1.097
  139   HG21  VAL  16          3HG2      VAL  16   3.895   3.417   0.010
  140   HG22  VAL  16          1HG2      VAL  16   2.203   3.112   0.403
  141   HG23  VAL  16          2HG2      VAL  16   3.474   2.588   1.510
  142    H    LYS  17           H        LYS  17   2.996   5.865   4.057
  143    HA   LYS  17           HA       LYS  17   3.332   8.651   3.342
  144    HB2  LYS  17           1HB      LYS  17   1.454   9.141   4.638
  145    HB3  LYS  17           2HB      LYS  17   1.116   7.654   3.778
  146    HG2  LYS  17           1HG      LYS  17   1.707   6.432   5.903
  147    HG3  LYS  17           2HG      LYS  17   1.700   8.013   6.697
  148    HD2  LYS  17           1HD      LYS  17  -0.576   8.385   5.836
  149    HD3  LYS  17           2HD      LYS  17  -0.562   6.754   5.169
  150    HE2  LYS  17           1HE      LYS  17  -1.735   6.626   7.220
  151    HE3  LYS  17           2HE      LYS  17  -0.149   5.923   7.510
  152    HZ1  LYS  17           3HZ      LYS  17   0.546   8.058   8.477
  153    HZ2  LYS  17           1HZ      LYS  17  -0.756   7.366   9.315
  154    HZ3  LYS  17           2HZ      LYS  17  -1.018   8.661   8.255
  155    H    ARG  18           H        ARG  18   4.314   6.549   5.915
  156    HA   ARG  18           HA       ARG  18   5.051   8.725   7.659
  157    HB2  ARG  18           1HB      ARG  18   5.652   5.775   7.850
  158    HB3  ARG  18           2HB      ARG  18   6.043   6.953   9.091
  159    HG2  ARG  18           1HG      ARG  18   3.601   7.490   9.225
  160    HG3  ARG  18           2HG      ARG  18   3.313   6.125   8.146
  161    HD2  ARG  18           1HD      ARG  18   2.983   5.357  10.382
  162    HD3  ARG  18           2HD      ARG  18   4.504   4.673   9.806
  163    HE   ARG  18           HE       ARG  18   5.024   7.101  11.137
  164   HH11  ARG  18          1HH1      ARG  18   4.051   3.801  11.808
  165   HH12  ARG  18          2HH1      ARG  18   4.620   3.826  13.445
  166   HH21  ARG  18          1HH2      ARG  18   5.789   7.140  13.273
  167   HH22  ARG  18          2HH2      ARG  18   5.617   5.737  14.282
  168    H    HIS  19           H        HIS  19   6.561   6.982   5.120
  169    HA   HIS  19           HA       HIS  19   9.207   7.921   5.936
  170    HB2  HIS  19           1HB      HIS  19   8.288   5.953   3.841
  171    HB3  HIS  19           2HB      HIS  19   9.923   6.606   3.839
  172    HD1  HIS  19           HD1      HIS  19   7.628   4.629   6.169
  173    HD2  HIS  19           HD2      HIS  19  11.660   5.312   5.428
  174    HE1  HIS  19           HE1      HIS  19   8.908   3.060   7.684
  175    H    GLN  20           H        GLN  20  10.284   8.144   3.318
  176    HA   GLN  20           HA       GLN  20   9.481  10.853   2.753
  177    HB2  GLN  20           1HB      GLN  20  11.576   9.065   1.512
  178    HB3  GLN  20           2HB      GLN  20  11.342  10.756   1.091
  179    HG2  GLN  20           1HG      GLN  20  11.954  11.458   3.290
  180    HG3  GLN  20           2HG      GLN  20  11.985   9.793   3.868
  181   HE21  GLN  20          1HE2      GLN  20  13.236  10.705   0.746
  182   HE22  GLN  20          2HE2      GLN  20  14.906  10.444   1.121
  183    H    ARG  21           H        ARG  21   7.657   8.581   2.145
  184    HA   ARG  21           HA       ARG  21   6.132   7.950   0.621
  185    HB2  ARG  21           1HB      ARG  21   7.021  10.424  -0.874
  186    HB3  ARG  21           2HB      ARG  21   5.546   9.515  -1.183
  187    HG2  ARG  21           1HG      ARG  21   4.802  10.030   1.120
  188    HG3  ARG  21           2HG      ARG  21   6.240  11.031   1.322
  189    HD2  ARG  21           1HD      ARG  21   5.490  12.373  -0.645
  190    HD3  ARG  21           2HD      ARG  21   3.990  11.445  -0.641
  191    HE   ARG  21           HE       ARG  21   4.786  12.885   1.794
  192   HH11  ARG  21          1HH1      ARG  21   2.597  12.548  -0.941
  193   HH12  ARG  21          2HH1      ARG  21   1.422  13.636  -0.281
  194   HH21  ARG  21          1HH2      ARG  21   3.233  14.322   2.642
  195   HH22  ARG  21          2HH2      ARG  21   1.762  14.626   1.761
  196    H    ILE  22           H        ILE  22   5.924   7.644  -1.980
  197    HA   ILE  22           HA       ILE  22   8.345   6.861  -3.256
  198    HB   ILE  22           HB       ILE  22   8.261   5.103  -1.559
  199   HG12  ILE  22          1HG1      ILE  22   7.478   3.992  -4.263
  200   HG13  ILE  22          2HG1      ILE  22   9.096   4.538  -3.827
  201   HG21  ILE  22          1HG2      ILE  22   6.418   3.487  -1.491
  202   HG22  ILE  22          2HG2      ILE  22   5.544   4.451  -2.683
  203   HG23  ILE  22          3HG2      ILE  22   5.888   5.121  -1.088
  204   HD11  ILE  22          3HD1      ILE  22   7.595   2.258  -2.564
  205   HD12  ILE  22          1HD1      ILE  22   9.201   2.815  -2.097
  206   HD13  ILE  22          2HD1      ILE  22   8.936   2.129  -3.701
  207    H    THR  23           H        THR  23   7.991   6.163  -5.404
  208    HA   THR  23           HA       THR  23   5.529   7.009  -6.572
  209    HB   THR  23           HB       THR  23   6.506   6.014  -8.684
  210    HG1  THR  23           HG1      THR  23   8.887   5.719  -7.157
  211   HG21  THR  23          3HG2      THR  23   8.243   7.952  -7.152
  212   HG22  THR  23          1HG2      THR  23   6.815   8.371  -8.097
  213   HG23  THR  23          2HG2      THR  23   8.245   7.724  -8.902
  214    H    GLN  24           H        GLN  24   3.956   5.768  -7.638
  215    HA   GLN  24           HA       GLN  24   3.190   3.382  -6.354
  216    HB2  GLN  24           1HB      GLN  24   1.608   4.929  -7.443
  217    HB3  GLN  24           2HB      GLN  24   2.258   4.483  -9.012
  218    HG2  GLN  24           1HG      GLN  24   1.498   2.187  -8.681
  219    HG3  GLN  24           2HG      GLN  24   0.853   2.631  -7.102
  220   HE21  GLN  24          1HE2      GLN  24  -0.488   1.567  -9.483
  221   HE22  GLN  24          2HE2      GLN  24  -1.732   2.701  -9.868
  222    H    GLU  25           H        GLU  25   5.129   3.998  -9.167
  223    HA   GLU  25           HA       GLU  25   5.103   1.533 -10.452
  224    HB2  GLU  25           1HB      GLU  25   6.216   3.494 -11.365
  225    HB3  GLU  25           2HB      GLU  25   7.390   3.472 -10.057
  226    HG2  GLU  25           1HG      GLU  25   8.113   1.218 -10.879
  227    HG3  GLU  25           2HG      GLU  25   7.079   1.481 -12.282
  228    H    GLU  26           H        GLU  26   7.603   2.628  -8.156
  229    HA   GLU  26           HA       GLU  26   8.638   0.002  -7.797
  230    HB2  GLU  26           1HB      GLU  26  10.025   2.021  -7.532
  231    HB3  GLU  26           2HB      GLU  26   9.071   2.493  -6.133
  232    HG2  GLU  26           1HG      GLU  26   9.847   0.602  -4.888
  233    HG3  GLU  26           2HG      GLU  26  10.662  -0.053  -6.306
  234    H    LEU  27           H        LEU  27   6.170   1.876  -6.288
  235    HA   LEU  27           HA       LEU  27   5.936   0.525  -3.844
  236    HB2  LEU  27           1HB      LEU  27   4.802   2.675  -4.629
  237    HB3  LEU  27           2HB      LEU  27   3.648   1.648  -5.451
  238    HG   LEU  27           HG       LEU  27   2.927   2.570  -3.217
  239   HD11  LEU  27          1HD1      LEU  27   2.969  -0.430  -3.517
  240   HD12  LEU  27          2HD1      LEU  27   1.796   0.671  -4.236
  241   HD13  LEU  27          3HD1      LEU  27   1.876   0.490  -2.485
  242   HD21  LEU  27          3HD2      LEU  27   3.796   1.596  -1.209
  243   HD22  LEU  27          1HD2      LEU  27   5.153   2.231  -2.135
  244   HD23  LEU  27          2HD2      LEU  27   4.827   0.497  -2.124
  245    H    HIS  28           H        HIS  28   4.562  -0.133  -7.051
  246    HA   HIS  28           HA       HIS  28   2.892  -2.249  -6.187
  247    HB2  HIS  28           1HB      HIS  28   2.602  -0.995  -8.336
  248    HB3  HIS  28           2HB      HIS  28   4.002  -1.857  -8.975
  249    HD1  HIS  28           HD1      HIS  28   3.711  -4.541  -9.150
  250    HD2  HIS  28           HD2      HIS  28   0.245  -2.338  -8.479
  251    HE1  HIS  28           HE1      HIS  28   1.780  -6.122  -9.509
  252    H    GLN  29           H        GLN  29   6.191  -2.205  -7.508
  253    HA   GLN  29           HA       GLN  29   6.381  -5.046  -7.640
  254    HB2  GLN  29           1HB      GLN  29   8.718  -4.732  -8.108
  255    HB3  GLN  29           2HB      GLN  29   7.804  -3.514  -8.978
  256    HG2  GLN  29           1HG      GLN  29   9.438  -2.186  -8.195
  257    HG3  GLN  29           2HG      GLN  29   8.382  -2.113  -6.784
  258   HE21  GLN  29          1HE2      GLN  29  10.268  -4.906  -7.730
  259   HE22  GLN  29          2HE2      GLN  29  11.361  -4.870  -6.385
  260    H    TYR  30           H        TYR  30   6.807  -2.711  -5.134
  261    HA   TYR  30           HA       TYR  30   8.099  -4.498  -3.289
  262    HB2  TYR  30           1HB      TYR  30   8.329  -2.022  -3.152
  263    HB3  TYR  30           2HB      TYR  30   6.617  -1.902  -2.770
  264    HD1  TYR  30           HD1      TYR  30   9.635  -3.739  -1.512
  265    HD2  TYR  30           HD2      TYR  30   6.088  -1.589  -0.551
  266    HE1  TYR  30           HE1      TYR  30  10.174  -3.927   0.882
  267    HE2  TYR  30           HE2      TYR  30   6.616  -1.776   1.841
  268    HH   TYR  30           HH       TYR  30   9.677  -2.794   2.985
  269    H    ALA  31           H        ALA  31   4.916  -3.997  -4.420
  270    HA   ALA  31           HA       ALA  31   3.537  -4.841  -2.042
  271    HB1  ALA  31           3HB      ALA  31   1.540  -4.824  -3.488
  272    HB2  ALA  31           1HB      ALA  31   2.573  -4.519  -4.885
  273    HB3  ALA  31           2HB      ALA  31   2.455  -3.322  -3.598
  274    H    GLN  32           H        GLN  32   4.018  -6.280  -5.274
  275    HA   GLN  32           HA       GLN  32   2.945  -8.804  -4.595
  276    HB2  GLN  32           1HB      GLN  32   4.875  -7.995  -6.767
  277    HB3  GLN  32           2HB      GLN  32   4.201  -9.612  -6.614
  278    HG2  GLN  32           1HG      GLN  32   1.974  -8.765  -6.951
  279    HG3  GLN  32           2HG      GLN  32   2.572  -7.107  -6.966
  280   HE21  GLN  32          1HE2      GLN  32   4.953  -7.790  -8.491
  281   HE22  GLN  32          2HE2      GLN  32   4.418  -8.048 -10.118
  282    H    ARG  33           H        ARG  33   6.124  -7.419  -4.258
  283    HA   ARG  33           HA       ARG  33   7.555  -9.768  -3.689
  284    HB2  ARG  33           1HB      ARG  33   8.718  -7.749  -4.251
  285    HB3  ARG  33           2HB      ARG  33   7.999  -6.885  -2.901
  286    HG2  ARG  33           1HG      ARG  33   9.391  -7.874  -1.356
  287    HG3  ARG  33           2HG      ARG  33   9.712  -9.271  -2.380
  288    HD2  ARG  33           1HD      ARG  33  11.611  -7.622  -2.091
  289    HD3  ARG  33           2HD      ARG  33  11.201  -8.063  -3.745
  290    HE   ARG  33           HE       ARG  33   9.987  -5.901  -3.850
  291   HH11  ARG  33          1HH1      ARG  33  12.488  -6.328  -1.425
  292   HH12  ARG  33          2HH1      ARG  33  12.947  -4.648  -1.424
  293   HH21  ARG  33          1HH2      ARG  33  10.595  -3.695  -3.852
  294   HH22  ARG  33          2HH2      ARG  33  11.857  -3.152  -2.792
  295    H    LEU  34           H        LEU  34   5.221  -8.060  -1.803
  296    HA   LEU  34           HA       LEU  34   6.103  -9.530   0.589
  297    HB2  LEU  34           1HB      LEU  34   4.427  -7.038   0.348
  298    HB3  LEU  34           2HB      LEU  34   4.643  -7.922   1.846
  299    HG   LEU  34           HG       LEU  34   6.792  -6.515   0.267
  300   HD11  LEU  34          1HD1      LEU  34   5.355  -5.014   1.511
  301   HD12  LEU  34          2HD1      LEU  34   6.950  -5.103   2.258
  302   HD13  LEU  34          3HD1      LEU  34   5.592  -5.972   2.974
  303   HD21  LEU  34          3HD2      LEU  34   7.005  -8.112   2.817
  304   HD22  LEU  34          1HD2      LEU  34   8.296  -7.152   2.093
  305   HD23  LEU  34          2HD2      LEU  34   7.668  -8.566   1.246
  306    H    GLY  35           H        GLY  35   3.806  -9.677  -1.839
  307    HA2  GLY  35           1HA      GLY  35   2.380 -11.623  -1.859
  308    HA3  GLY  35           2HA      GLY  35   2.196 -11.455  -0.115
  309    H    LEU  36           H        LEU  36   1.800  -8.975  -2.657
  310    HA   LEU  36           HA       LEU  36  -0.905  -8.612  -1.561
  311    HB2  LEU  36           1HB      LEU  36   0.767  -6.527  -2.952
  312    HB3  LEU  36           2HB      LEU  36  -0.787  -6.289  -2.171
  313    HG   LEU  36           HG       LEU  36   1.853  -6.880  -0.841
  314   HD11  LEU  36          1HD1      LEU  36  -0.105  -4.596  -0.628
  315   HD12  LEU  36          2HD1      LEU  36   1.465  -4.561  -1.431
  316   HD13  LEU  36          3HD1      LEU  36   1.374  -4.776   0.316
  317   HD21  LEU  36          3HD2      LEU  36   0.541  -6.826   1.283
  318   HD22  LEU  36          1HD2      LEU  36   0.251  -8.248   0.282
  319   HD23  LEU  36          2HD2      LEU  36  -0.930  -6.943   0.315
  320    H    ASN  37           H        ASN  37  -2.617  -8.578  -2.806
  321    HA   ASN  37           HA       ASN  37  -2.362  -8.810  -5.691
  322    HB2  ASN  37           1HB      ASN  37  -4.907  -8.938  -5.563
  323    HB3  ASN  37           2HB      ASN  37  -4.027 -10.258  -4.809
  324   HD21  ASN  37          1HD2      ASN  37  -4.297  -7.103  -3.284
  325   HD22  ASN  37          2HD2      ASN  37  -5.375  -7.611  -2.026
  326    H    GLU  38           H        GLU  38  -3.669  -7.330  -7.077
  327    HA   GLU  38           HA       GLU  38  -2.915  -4.659  -6.452
  328    HB2  GLU  38           1HB      GLU  38  -3.037  -5.714  -8.764
  329    HB3  GLU  38           2HB      GLU  38  -4.778  -5.473  -8.675
  330    HG2  GLU  38           1HG      GLU  38  -4.324  -3.042  -8.284
  331    HG3  GLU  38           2HG      GLU  38  -2.627  -3.376  -8.637
  332    H    GLU  39           H        GLU  39  -5.750  -6.497  -5.931
  333    HA   GLU  39           HA       GLU  39  -7.795  -4.685  -5.706
  334    HB2  GLU  39           1HB      GLU  39  -8.408  -6.871  -5.276
  335    HB3  GLU  39           2HB      GLU  39  -7.022  -7.171  -4.244
  336    HG2  GLU  39           1HG      GLU  39  -8.033  -6.043  -2.412
  337    HG3  GLU  39           2HG      GLU  39  -9.336  -5.430  -3.436
  338    H    ALA  40           H        ALA  40  -5.326  -5.439  -3.304
  339    HA   ALA  40           HA       ALA  40  -6.279  -3.491  -1.424
  340    HB1  ALA  40           3HB      ALA  40  -3.694  -5.039  -1.474
  341    HB2  ALA  40           1HB      ALA  40  -5.186  -5.551  -0.688
  342    HB3  ALA  40           2HB      ALA  40  -4.327  -4.122  -0.106
  343    H    ILE  41           H        ILE  41  -3.756  -3.679  -3.845
  344    HA   ILE  41           HA       ILE  41  -2.266  -1.417  -3.083
  345    HB   ILE  41           HB       ILE  41  -2.600  -2.525  -5.877
  346   HG12  ILE  41          1HG1      ILE  41  -0.544  -3.246  -3.775
  347   HG13  ILE  41          2HG1      ILE  41  -1.922  -4.250  -4.213
  348   HG21  ILE  41          1HG2      ILE  41  -0.382  -1.557  -6.274
  349   HG22  ILE  41          2HG2      ILE  41  -0.387  -0.891  -4.641
  350   HG23  ILE  41          3HG2      ILE  41  -1.560  -0.323  -5.829
  351   HD11  ILE  41          3HD1      ILE  41   0.075  -5.057  -5.283
  352   HD12  ILE  41          1HD1      ILE  41   0.366  -3.474  -6.003
  353   HD13  ILE  41          2HD1      ILE  41  -1.035  -4.424  -6.498
  354    H    ARG  42           H        ARG  42  -4.828  -1.843  -5.480
  355    HA   ARG  42           HA       ARG  42  -5.013   0.847  -6.287
  356    HB2  ARG  42           1HB      ARG  42  -5.960  -0.750  -7.722
  357    HB3  ARG  42           2HB      ARG  42  -6.864  -1.517  -6.425
  358    HG2  ARG  42           1HG      ARG  42  -8.253   0.542  -6.287
  359    HG3  ARG  42           2HG      ARG  42  -7.404   1.133  -7.718
  360    HD2  ARG  42           1HD      ARG  42  -8.296  -0.532  -9.084
  361    HD3  ARG  42           2HD      ARG  42  -8.753  -1.542  -7.711
  362    HE   ARG  42           HE       ARG  42 -10.203   0.767  -7.405
  363   HH11  ARG  42          1HH1      ARG  42  -9.896  -1.654  -9.929
  364   HH12  ARG  42          2HH1      ARG  42 -11.539  -1.490 -10.462
  365   HH21  ARG  42          1HH2      ARG  42 -12.372   0.959  -8.091
  366   HH22  ARG  42          2HH2      ARG  42 -12.953  -0.008  -9.413
  367    H    GLN  43           H        GLN  43  -6.729  -1.012  -3.813
  368    HA   GLN  43           HA       GLN  43  -8.682   0.909  -3.200
  369    HB2  GLN  43           1HB      GLN  43  -8.631  -1.560  -2.568
  370    HB3  GLN  43           2HB      GLN  43  -7.558  -1.097  -1.254
  371    HG2  GLN  43           1HG      GLN  43  -9.806  -1.274  -0.428
  372    HG3  GLN  43           2HG      GLN  43  -9.299   0.415  -0.393
  373   HE21  GLN  43          1HE2      GLN  43 -11.400   1.196  -0.420
  374   HE22  GLN  43          2HE2      GLN  43 -12.394   1.110  -1.840
  375    H    PHE  44           H        PHE  44  -5.400   0.474  -2.028
  376    HA   PHE  44           HA       PHE  44  -5.688   2.237   0.210
  377    HB2  PHE  44           1HB      PHE  44  -3.991   0.340  -0.070
  378    HB3  PHE  44           2HB      PHE  44  -3.086   1.449  -1.093
  379    HD1  PHE  44           HD1      PHE  44  -4.758   1.491   2.244
  380    HD2  PHE  44           HD2      PHE  44  -1.357   2.574  -0.078
  381    HE1  PHE  44           HE1      PHE  44  -3.699   2.450   4.247
  382    HE2  PHE  44           HE2      PHE  44  -0.294   3.535   1.923
  383    HZ   PHE  44           HZ       PHE  44  -1.469   3.477   4.090
  384    H    PHE  45           H        PHE  45  -4.935   2.664  -3.149
  385    HA   PHE  45           HA       PHE  45  -3.832   5.318  -2.683
  386    HB2  PHE  45           1HB      PHE  45  -3.968   3.508  -5.062
  387    HB3  PHE  45           2HB      PHE  45  -3.723   5.236  -5.303
  388    HD1  PHE  45           HD1      PHE  45  -2.396   2.577  -3.030
  389    HD2  PHE  45           HD2      PHE  45  -1.560   5.890  -5.566
  390    HE1  PHE  45           HE1      PHE  45   0.002   2.326  -2.562
  391    HE2  PHE  45           HE2      PHE  45   0.844   5.640  -5.107
  392    HZ   PHE  45           HZ       PHE  45   1.627   3.855  -3.604
  393    H    GLU  46           H        GLU  46  -6.629   3.858  -4.322
  394    HA   GLU  46           HA       GLU  46  -7.614   6.388  -5.221
  395    HB2  GLU  46           1HB      GLU  46  -9.448   5.214  -6.114
  396    HB3  GLU  46           2HB      GLU  46  -8.064   4.144  -6.266
  397    HG2  GLU  46           1HG      GLU  46  -8.770   2.768  -4.552
  398    HG3  GLU  46           2HG      GLU  46  -9.934   3.946  -3.948
  399    H    GLU  47           H        GLU  47  -7.997   4.431  -2.446
  400    HA   GLU  47           HA       GLU  47  -9.875   6.387  -1.287
  401    HB2  GLU  47           1HB      GLU  47 -10.917   4.186  -1.697
  402    HB3  GLU  47           2HB      GLU  47  -9.677   3.418  -0.726
  403    HG2  GLU  47           1HG      GLU  47 -10.474   4.631   1.242
  404    HG3  GLU  47           2HG      GLU  47 -11.717   5.403   0.259
  405    H    PHE  48           H        PHE  48  -7.383   7.096  -1.132
  406    HA   PHE  48           HA       PHE  48  -5.935   5.935   1.055
  407    HB2  PHE  48           1HB      PHE  48  -4.869   6.986  -0.961
  408    HB3  PHE  48           2HB      PHE  48  -5.378   8.553  -0.349
  409    HD1  PHE  48           HD1      PHE  48  -3.483   5.528   0.726
  410    HD2  PHE  48           HD2      PHE  48  -3.917   9.760   0.952
  411    HE1  PHE  48           HE1      PHE  48  -1.406   5.672   2.041
  412    HE2  PHE  48           HE2      PHE  48  -1.846   9.906   2.269
  413    HZ   PHE  48           HZ       PHE  48  -0.585   7.864   2.810
  414    H    GLU  49           H        GLU  49  -6.855   9.373   0.657
  415    HA   GLU  49           HA       GLU  49  -8.285   9.436   3.120
  416    HB2  GLU  49           1HB      GLU  49  -6.860  10.816   4.447
  417    HB3  GLU  49           2HB      GLU  49  -5.904   9.442   3.921
  418    HG2  GLU  49           1HG      GLU  49  -4.808  10.800   2.244
  419    HG3  GLU  49           2HG      GLU  49  -5.812  12.186   2.678
  420    H    GLN  50           H        GLN  50  -6.634  11.292   0.597
  421    HA   GLN  50           HA       GLN  50  -8.697  13.350   0.794
  422    HB2  GLN  50           1HB      GLN  50  -7.215  14.662  -0.702
  423    HB3  GLN  50           2HB      GLN  50  -6.441  14.194   0.805
  424    HG2  GLN  50           1HG      GLN  50  -5.225  12.436  -0.313
  425    HG3  GLN  50           2HG      GLN  50  -6.057  12.794  -1.826
  426   HE21  GLN  50          1HE2      GLN  50  -3.193  12.837  -1.111
  427   HE22  GLN  50          2HE2      GLN  50  -2.646  14.422  -1.549
  428    H    ARG  51           H        ARG  51  -7.399  10.857  -1.251
  429    HA   ARG  51           HA       ARG  51  -9.251  11.380  -3.396
  430    HB2  ARG  51           1HB      ARG  51  -7.355   9.102  -2.821
  431    HB3  ARG  51           2HB      ARG  51  -8.463   9.094  -4.187
  432    HG2  ARG  51           1HG      ARG  51  -7.400  11.160  -5.011
  433    HG3  ARG  51           2HG      ARG  51  -6.245  11.058  -3.679
  434    HD2  ARG  51           1HD      ARG  51  -5.388   8.983  -4.492
  435    HD3  ARG  51           2HD      ARG  51  -6.662   8.876  -5.708
  436    HE   ARG  51           HE       ARG  51  -5.101  11.250  -5.995
  437   HH11  ARG  51          1HH1      ARG  51  -5.161   7.815  -6.654
  438   HH12  ARG  51          2HH1      ARG  51  -4.120   7.916  -8.039
  439   HH21  ARG  51          1HH2      ARG  51  -3.728  11.408  -7.821
  440   HH22  ARG  51          2HH2      ARG  51  -3.295   9.973  -8.701
  441    H    LYS  52           H        LYS  52 -11.308  10.850  -3.300
  442    HA   LYS  52           HA       LYS  52 -12.231   8.364  -2.277
  443    HB2  LYS  52           1HB      LYS  52 -13.756   9.481  -0.531
  444    HB3  LYS  52           2HB      LYS  52 -12.069   9.232  -0.106
  445    HG2  LYS  52           1HG      LYS  52 -11.611  11.588  -0.702
  446    HG3  LYS  52           2HG      LYS  52 -13.335  11.814  -1.001
  447    HD2  LYS  52           1HD      LYS  52 -13.833  11.278   1.315
  448    HD3  LYS  52           2HD      LYS  52 -12.130  10.940   1.624
  449    HE2  LYS  52           1HE      LYS  52 -11.569  13.264   1.143
  450    HE3  LYS  52           2HE      LYS  52 -13.261  13.608   0.788
  451    HZ1  LYS  52           3HZ      LYS  52 -12.583  14.289   3.033
  452    HZ2  LYS  52           1HZ      LYS  52 -12.244  12.674   3.422
  453    HZ3  LYS  52           2HZ      LYS  52 -13.833  13.146   3.059
  Start of MODEL   11
    1    H1   MET   1           1H       MET   1 -13.706  -8.586   5.504
    2    H2   MET   1           2H       MET   1 -14.721  -9.810   4.913
    3    H3   MET   1           3H       MET   1 -13.986  -8.723   3.835
    4    HA   MET   1           HA       MET   1 -12.552 -10.651   5.558
    5    HB2  MET   1           1HB      MET   1 -13.866 -11.734   3.752
    6    HB3  MET   1           2HB      MET   1 -13.054 -10.717   2.569
    7    HG2  MET   1           1HG      MET   1 -12.099 -12.943   2.614
    8    HG3  MET   1           2HG      MET   1 -10.921 -11.739   3.134
    9    HE1  MET   1           3HE      MET   1 -10.070 -14.993   5.206
   10    HE2  MET   1           1HE      MET   1  -9.468 -13.826   4.027
   11    HE3  MET   1           2HE      MET   1 -10.751 -14.950   3.580
   12    H    LYS   2           H        LYS   2 -10.254 -10.789   4.985
   13    HA   LYS   2           HA       LYS   2  -9.179  -8.150   4.473
   14    HB2  LYS   2           1HB      LYS   2  -7.793 -10.730   5.237
   15    HB3  LYS   2           2HB      LYS   2  -7.071  -9.123   5.242
   16    HG2  LYS   2           1HG      LYS   2  -8.492  -8.395   7.002
   17    HG3  LYS   2           2HG      LYS   2  -9.473  -9.856   6.893
   18    HD2  LYS   2           1HD      LYS   2  -7.453 -11.162   7.572
   19    HD3  LYS   2           2HD      LYS   2  -6.626  -9.624   7.856
   20    HE2  LYS   2           1HE      LYS   2  -8.375  -8.990   9.452
   21    HE3  LYS   2           2HE      LYS   2  -9.181 -10.534   9.178
   22    HZ1  LYS   2           3HZ      LYS   2  -6.442 -10.211  10.297
   23    HZ2  LYS   2           1HZ      LYS   2  -7.278 -11.675  10.101
   24    HZ3  LYS   2           2HZ      LYS   2  -7.837 -10.516  11.208
   25    H    GLN   3           H        GLN   3  -7.458  -7.784   2.935
   26    HA   GLN   3           HA       GLN   3  -7.767  -9.493   0.554
   27    HB2  GLN   3           1HB      GLN   3  -8.057  -7.480  -0.836
   28    HB3  GLN   3           2HB      GLN   3  -9.357  -7.684   0.328
   29    HG2  GLN   3           1HG      GLN   3  -7.028  -5.922   0.935
   30    HG3  GLN   3           2HG      GLN   3  -8.367  -5.343  -0.052
   31   HE21  GLN   3          1HE2      GLN   3 -10.363  -5.010   0.897
   32   HE22  GLN   3          2HE2      GLN   3 -10.570  -4.927   2.615
   33    H    TRP   4           H        TRP   4  -5.586  -8.902   2.544
   34    HA   TRP   4           HA       TRP   4  -3.418  -8.772   0.705
   35    HB2  TRP   4           1HB      TRP   4  -2.379  -6.803   2.148
   36    HB3  TRP   4           2HB      TRP   4  -3.365  -6.474   0.743
   37    HD1  TRP   4           HD1      TRP   4  -4.507  -4.256   1.325
   38    HE1  TRP   4           HE1      TRP   4  -6.011  -3.414   3.232
   39    HE3  TRP   4           HE3      TRP   4  -4.076  -8.202   4.466
   40    HZ2  TRP   4           HZ2      TRP   4  -6.889  -4.306   5.755
   41    HZ3  TRP   4           HZ3      TRP   4  -5.266  -8.152   6.626
   42    HH2  TRP   4           HH2      TRP   4  -6.642  -6.236   7.257
   43    H    SER   5           H        SER   5  -1.308  -8.456   2.271
   44    HA   SER   5           HA       SER   5  -1.685 -10.272   4.491
   45    HB2  SER   5           1HB      SER   5   0.357 -10.535   3.173
   46    HB3  SER   5           2HB      SER   5   0.801  -8.859   3.490
   47    HG   SER   5           HG       SER   5   0.380 -10.722   5.587
   48    H    GLU   6           H        GLU   6  -2.517  -9.457   6.290
   49    HA   GLU   6           HA       GLU   6  -2.971  -6.985   7.168
   50    HB2  GLU   6           1HB      GLU   6  -1.859  -9.099   8.925
   51    HB3  GLU   6           2HB      GLU   6  -2.851  -7.759   9.442
   52    HG2  GLU   6           1HG      GLU   6  -4.720  -8.634   8.174
   53    HG3  GLU   6           2HG      GLU   6  -3.721  -9.968   7.594
   54    H    ASN   7           H        ASN   7   0.128  -8.604   7.690
   55    HA   ASN   7           HA       ASN   7   1.327  -6.538   9.165
   56    HB2  ASN   7           1HB      ASN   7   2.507  -8.757   7.520
   57    HB3  ASN   7           2HB      ASN   7   3.489  -7.675   8.503
   58   HD21  ASN   7          1HD2      ASN   7   3.239 -10.526   8.755
   59   HD22  ASN   7          2HD2      ASN   7   2.590 -10.835  10.330
   60    H    VAL   8           H        VAL   8   1.137  -7.183   5.747
   61    HA   VAL   8           HA       VAL   8   3.057  -5.260   4.935
   62    HB   VAL   8           HB       VAL   8   0.764  -6.471   3.381
   63   HG11  VAL   8          1HG1      VAL   8   3.142  -4.857   2.492
   64   HG12  VAL   8          2HG1      VAL   8   1.432  -4.472   2.290
   65   HG13  VAL   8          3HG1      VAL   8   2.140  -5.819   1.410
   66   HG21  VAL   8          3HG2      VAL   8   3.675  -7.233   3.598
   67   HG22  VAL   8          1HG2      VAL   8   2.541  -7.913   2.431
   68   HG23  VAL   8          2HG2      VAL   8   2.289  -8.168   4.157
   69    H    GLU   9           H        GLU   9  -0.454  -5.224   5.273
   70    HA   GLU   9           HA       GLU   9  -1.023  -2.760   4.118
   71    HB2  GLU   9           1HB      GLU   9  -2.607  -4.567   4.968
   72    HB3  GLU   9           2HB      GLU   9  -2.388  -3.878   6.568
   73    HG2  GLU   9           1HG      GLU   9  -3.268  -2.121   4.324
   74    HG3  GLU   9           2HG      GLU   9  -4.426  -3.209   5.076
   75    H    GLU  10           H        GLU  10  -0.268  -3.528   7.482
   76    HA   GLU  10           HA       GLU  10  -0.264  -0.962   8.552
   77    HB2  GLU  10           1HB      GLU  10  -0.168  -2.828  10.021
   78    HB3  GLU  10           2HB      GLU  10   1.279  -3.455   9.246
   79    HG2  GLU  10           1HG      GLU  10   2.520  -1.480  10.078
   80    HG3  GLU  10           2HG      GLU  10   1.074  -0.995  10.965
   81    H    LYS  11           H        LYS  11   2.439  -2.807   7.173
   82    HA   LYS  11           HA       LYS  11   4.310  -0.748   7.840
   83    HB2  LYS  11           1HB      LYS  11   4.718  -3.250   7.803
   84    HB3  LYS  11           2HB      LYS  11   4.812  -3.114   6.054
   85    HG2  LYS  11           1HG      LYS  11   6.726  -1.714   6.181
   86    HG3  LYS  11           2HG      LYS  11   6.549  -1.526   7.922
   87    HD2  LYS  11           1HD      LYS  11   7.225  -4.082   6.467
   88    HD3  LYS  11           2HD      LYS  11   8.344  -3.086   7.398
   89    HE2  LYS  11           1HE      LYS  11   5.996  -4.677   8.429
   90    HE3  LYS  11           2HE      LYS  11   7.705  -4.935   8.770
   91    HZ1  LYS  11           3HZ      LYS  11   6.589  -3.848  10.621
   92    HZ2  LYS  11           1HZ      LYS  11   6.113  -2.567   9.619
   93    HZ3  LYS  11           2HZ      LYS  11   7.757  -2.823   9.946
   94    H    LEU  12           H        LEU  12   2.582  -1.696   4.935
   95    HA   LEU  12           HA       LEU  12   4.085  -0.281   3.033
   96    HB2  LEU  12           1HB      LEU  12   2.334  -1.875   2.426
   97    HB3  LEU  12           2HB      LEU  12   1.115  -0.826   3.120
   98    HG   LEU  12           HG       LEU  12   1.684   0.889   1.403
   99   HD11  LEU  12          1HD1      LEU  12   3.953   0.174   0.905
  100   HD12  LEU  12          2HD1      LEU  12   2.965   0.194  -0.555
  101   HD13  LEU  12          3HD1      LEU  12   3.342  -1.338   0.234
  102   HD21  LEU  12          3HD2      LEU  12   0.836  -1.799   0.336
  103   HD22  LEU  12          1HD2      LEU  12   0.524  -0.236  -0.417
  104   HD23  LEU  12          2HD2      LEU  12  -0.214  -0.630   1.134
  105    H    LYS  13           H        LYS  13   1.268   0.714   4.947
  106    HA   LYS  13           HA       LYS  13   1.036   3.348   4.087
  107    HB2  LYS  13           1HB      LYS  13  -0.647   2.358   5.486
  108    HB3  LYS  13           2HB      LYS  13   0.512   2.082   6.774
  109    HG2  LYS  13           1HG      LYS  13   0.762   4.618   6.866
  110    HG3  LYS  13           2HG      LYS  13  -0.698   4.670   5.873
  111    HD2  LYS  13           1HD      LYS  13  -1.380   4.868   8.151
  112    HD3  LYS  13           2HD      LYS  13  -1.817   3.246   7.610
  113    HE2  LYS  13           1HE      LYS  13   0.446   2.530   8.612
  114    HE3  LYS  13           2HE      LYS  13   0.425   4.090   9.427
  115    HZ1  LYS  13           3HZ      LYS  13  -1.633   3.500  10.492
  116    HZ2  LYS  13           1HZ      LYS  13  -0.481   2.289  10.787
  117    HZ3  LYS  13           2HZ      LYS  13  -1.705   2.032   9.640
  118    H    GLU  14           H        GLU  14   2.990   2.012   6.710
  119    HA   GLU  14           HA       GLU  14   4.003   4.541   7.523
  120    HB2  GLU  14           1HB      GLU  14   4.978   1.751   8.131
  121    HB3  GLU  14           2HB      GLU  14   5.540   3.214   8.934
  122    HG2  GLU  14           1HG      GLU  14   3.205   3.632   9.668
  123    HG3  GLU  14           2HG      GLU  14   2.757   2.070   8.984
  124    H    PHE  15           H        PHE  15   4.956   2.220   5.141
  125    HA   PHE  15           HA       PHE  15   7.652   3.165   4.892
  126    HB2  PHE  15           1HB      PHE  15   6.900   0.847   4.360
  127    HB3  PHE  15           2HB      PHE  15   6.001   1.487   2.994
  128    HD1  PHE  15           HD1      PHE  15   9.457   1.963   4.322
  129    HD2  PHE  15           HD2      PHE  15   7.003   0.960   0.998
  130    HE1  PHE  15           HE1      PHE  15  11.465   1.694   2.929
  131    HE2  PHE  15           HE2      PHE  15   9.007   0.692  -0.404
  132    HZ   PHE  15           HZ       PHE  15  11.241   1.061   0.559
  133    H    VAL  16           H        VAL  16   4.582   4.133   3.725
  134    HA   VAL  16           HA       VAL  16   5.755   5.802   1.637
  135    HB   VAL  16           HB       VAL  16   2.853   5.427   2.405
  136   HG11  VAL  16          1HG1      VAL  16   2.352   6.583   0.302
  137   HG12  VAL  16          2HG1      VAL  16   4.075   6.880   0.060
  138   HG13  VAL  16          3HG1      VAL  16   3.236   7.620   1.423
  139   HG21  VAL  16          3HG2      VAL  16   3.797   3.412   1.453
  140   HG22  VAL  16          1HG2      VAL  16   4.449   4.328   0.096
  141   HG23  VAL  16          2HG2      VAL  16   2.704   4.169   0.294
  142    H    LYS  17           H        LYS  17   3.865   6.118   4.629
  143    HA   LYS  17           HA       LYS  17   3.922   8.999   4.464
  144    HB2  LYS  17           1HB      LYS  17   2.797   7.116   6.525
  145    HB3  LYS  17           2HB      LYS  17   2.706   8.864   6.656
  146    HG2  LYS  17           1HG      LYS  17   1.519   7.218   4.433
  147    HG3  LYS  17           2HG      LYS  17   0.631   7.887   5.801
  148    HD2  LYS  17           1HD      LYS  17   2.067   9.429   3.641
  149    HD3  LYS  17           2HD      LYS  17   0.327   9.320   3.884
  150    HE2  LYS  17           1HE      LYS  17   2.260  10.511   5.864
  151    HE3  LYS  17           2HE      LYS  17   1.317  11.444   4.704
  152    HZ1  LYS  17           3HZ      LYS  17   0.011   9.627   6.648
  153    HZ2  LYS  17           1HZ      LYS  17  -0.667  10.923   5.788
  154    HZ3  LYS  17           2HZ      LYS  17   0.415  11.220   7.058
  155    H    ARG  18           H        ARG  18   5.280   6.581   6.706
  156    HA   ARG  18           HA       ARG  18   6.524   8.719   8.236
  157    HB2  ARG  18           1HB      ARG  18   6.599   5.734   8.706
  158    HB3  ARG  18           2HB      ARG  18   7.109   6.982   9.837
  159    HG2  ARG  18           1HG      ARG  18   4.809   7.813   9.953
  160    HG3  ARG  18           2HG      ARG  18   4.300   6.551   8.833
  161    HD2  ARG  18           1HD      ARG  18   3.758   5.637  10.890
  162    HD3  ARG  18           2HD      ARG  18   5.342   4.931  10.567
  163    HE   ARG  18           HE       ARG  18   5.730   7.297  12.003
  164   HH11  ARG  18          1HH1      ARG  18   4.520   4.039  12.459
  165   HH12  ARG  18          2HH1      ARG  18   4.655   4.103  14.194
  166   HH21  ARG  18          1HH2      ARG  18   5.962   7.358  14.272
  167   HH22  ARG  18          2HH2      ARG  18   5.473   5.984  15.228
  168    H    HIS  19           H        HIS  19   7.310   6.863   5.602
  169    HA   HIS  19           HA       HIS  19  10.183   6.948   6.170
  170    HB2  HIS  19           1HB      HIS  19   8.510   5.285   4.322
  171    HB3  HIS  19           2HB      HIS  19  10.209   5.544   3.944
  172    HD1  HIS  19           HD1      HIS  19   8.055   4.127   6.749
  173    HD2  HIS  19           HD2      HIS  19  11.912   3.900   5.224
  174    HE1  HIS  19           HE1      HIS  19   9.224   2.295   8.042
  175    H    GLN  20           H        GLN  20  11.117   6.939   3.555
  176    HA   GLN  20           HA       GLN  20  10.991   9.762   3.014
  177    HB2  GLN  20           1HB      GLN  20  12.565   7.468   1.872
  178    HB3  GLN  20           2HB      GLN  20  12.656   9.084   1.187
  179    HG2  GLN  20           1HG      GLN  20  13.273   8.420   4.054
  180    HG3  GLN  20           2HG      GLN  20  14.480   8.553   2.775
  181   HE21  GLN  20          1HE2      GLN  20  14.853  10.559   1.826
  182   HE22  GLN  20          2HE2      GLN  20  14.424  12.043   2.617
  183    H    ARG  21           H        ARG  21   8.624   8.000   2.406
  184    HA   ARG  21           HA       ARG  21   6.993   7.772   0.856
  185    HB2  ARG  21           1HB      ARG  21   8.474   9.945  -0.638
  186    HB3  ARG  21           2HB      ARG  21   6.839   9.407  -0.975
  187    HG2  ARG  21           1HG      ARG  21   6.164  10.165   1.275
  188    HG3  ARG  21           2HG      ARG  21   7.803  10.773   1.523
  189    HD2  ARG  21           1HD      ARG  21   5.818  11.674  -0.558
  190    HD3  ARG  21           2HD      ARG  21   6.413  12.596   0.819
  191    HE   ARG  21           HE       ARG  21   8.685  12.241  -0.393
  192   HH11  ARG  21          1HH1      ARG  21   5.577  12.902  -1.878
  193   HH12  ARG  21          2HH1      ARG  21   6.268  13.676  -3.274
  194   HH21  ARG  21          1HH2      ARG  21   9.596  13.212  -2.257
  195   HH22  ARG  21          2HH2      ARG  21   8.547  13.819  -3.508
  196    H    ILE  22           H        ILE  22   6.709   7.437  -1.697
  197    HA   ILE  22           HA       ILE  22   8.940   6.285  -3.034
  198    HB   ILE  22           HB       ILE  22   8.489   4.548  -1.313
  199   HG12  ILE  22          1HG1      ILE  22   7.764   3.539  -4.065
  200   HG13  ILE  22          2HG1      ILE  22   9.398   4.020  -3.613
  201   HG21  ILE  22          1HG2      ILE  22   6.458   3.190  -1.464
  202   HG22  ILE  22          2HG2      ILE  22   5.830   4.276  -2.703
  203   HG23  ILE  22          3HG2      ILE  22   6.096   4.870  -1.065
  204   HD11  ILE  22          3HD1      ILE  22   7.782   1.829  -2.337
  205   HD12  ILE  22          1HD1      ILE  22   9.412   2.316  -1.871
  206   HD13  ILE  22          2HD1      ILE  22   9.122   1.618  -3.466
  207    H    THR  23           H        THR  23   8.410   5.660  -5.187
  208    HA   THR  23           HA       THR  23   6.135   7.006  -6.278
  209    HB   THR  23           HB       THR  23   6.921   6.125  -8.453
  210    HG1  THR  23           HG1      THR  23   9.251   5.050  -7.385
  211   HG21  THR  23          3HG2      THR  23   7.909   8.180  -7.633
  212   HG22  THR  23          1HG2      THR  23   9.140   7.220  -8.453
  213   HG23  THR  23          2HG2      THR  23   9.090   7.271  -6.689
  214    H    GLN  24           H        GLN  24   4.478   5.985  -7.597
  215    HA   GLN  24           HA       GLN  24   3.238   3.790  -6.325
  216    HB2  GLN  24           1HB      GLN  24   1.968   5.464  -7.567
  217    HB3  GLN  24           2HB      GLN  24   2.769   4.993  -9.059
  218    HG2  GLN  24           1HG      GLN  24   1.719   2.785  -8.920
  219    HG3  GLN  24           2HG      GLN  24   0.899   3.276  -7.436
  220   HE21  GLN  24          1HE2      GLN  24  -1.137   2.952  -8.377
  221   HE22  GLN  24          2HE2      GLN  24  -1.779   4.059  -9.545
  222    H    GLU  25           H        GLU  25   5.340   4.050  -9.103
  223    HA   GLU  25           HA       GLU  25   5.033   1.489 -10.198
  224    HB2  GLU  25           1HB      GLU  25   6.221   3.411 -11.260
  225    HB3  GLU  25           2HB      GLU  25   7.539   3.179 -10.119
  226    HG2  GLU  25           1HG      GLU  25   7.882   0.913 -11.025
  227    HG3  GLU  25           2HG      GLU  25   6.617   1.227 -12.214
  228    H    GLU  26           H        GLU  26   7.511   2.709  -7.948
  229    HA   GLU  26           HA       GLU  26   8.624   0.130  -7.491
  230    HB2  GLU  26           1HB      GLU  26   8.926   2.698  -5.931
  231    HB3  GLU  26           2HB      GLU  26   9.911   1.259  -5.712
  232    HG2  GLU  26           1HG      GLU  26  10.818   1.466  -7.914
  233    HG3  GLU  26           2HG      GLU  26   9.711   2.783  -8.295
  234    H    LEU  27           H        LEU  27   6.089   1.995  -6.028
  235    HA   LEU  27           HA       LEU  27   5.854   0.610  -3.593
  236    HB2  LEU  27           1HB      LEU  27   4.709   2.756  -4.191
  237    HB3  LEU  27           2HB      LEU  27   3.633   1.845  -5.227
  238    HG   LEU  27           HG       LEU  27   3.793   1.147  -2.312
  239   HD11  LEU  27          1HD1      LEU  27   2.157   3.395  -3.490
  240   HD12  LEU  27          2HD1      LEU  27   3.511   3.571  -2.373
  241   HD13  LEU  27          3HD1      LEU  27   2.032   2.769  -1.845
  242   HD21  LEU  27          3HD2      LEU  27   1.590   1.071  -4.384
  243   HD22  LEU  27          1HD2      LEU  27   1.431   0.561  -2.704
  244   HD23  LEU  27          2HD2      LEU  27   2.513  -0.311  -3.790
  245    H    HIS  28           H        HIS  28   4.442   0.012  -6.798
  246    HA   HIS  28           HA       HIS  28   2.957  -2.267  -6.011
  247    HB2  HIS  28           1HB      HIS  28   2.622  -0.949  -8.149
  248    HB3  HIS  28           2HB      HIS  28   4.059  -1.749  -8.779
  249    HD1  HIS  28           HD1      HIS  28   3.812  -4.574  -8.542
  250    HD2  HIS  28           HD2      HIS  28   0.371  -2.253  -8.797
  251    HE1  HIS  28           HE1      HIS  28   1.936  -6.153  -9.119
  252    H    GLN  29           H        GLN  29   6.226  -1.805  -7.216
  253    HA   GLN  29           HA       GLN  29   6.967  -4.489  -7.540
  254    HB2  GLN  29           1HB      GLN  29   8.284  -2.482  -8.270
  255    HB3  GLN  29           2HB      GLN  29   8.722  -2.212  -6.590
  256    HG2  GLN  29           1HG      GLN  29  10.522  -3.307  -7.720
  257    HG3  GLN  29           2HG      GLN  29   9.813  -4.417  -6.548
  258   HE21  GLN  29          1HE2      GLN  29   8.706  -6.221  -7.274
  259   HE22  GLN  29          2HE2      GLN  29   8.791  -6.764  -8.918
  260    H    TYR  30           H        TYR  30   6.940  -2.374  -4.745
  261    HA   TYR  30           HA       TYR  30   8.068  -4.250  -2.910
  262    HB2  TYR  30           1HB      TYR  30   8.171  -1.785  -2.638
  263    HB3  TYR  30           2HB      TYR  30   6.431  -1.751  -2.412
  264    HD1  TYR  30           HD1      TYR  30   9.425  -3.464  -0.942
  265    HD2  TYR  30           HD2      TYR  30   5.663  -1.597  -0.255
  266    HE1  TYR  30           HE1      TYR  30   9.750  -3.712   1.487
  267    HE2  TYR  30           HE2      TYR  30   5.976  -1.838   2.167
  268    HH   TYR  30           HH       TYR  30   8.945  -2.645   3.587
  269    H    ALA  31           H        ALA  31   4.883  -3.543  -4.106
  270    HA   ALA  31           HA       ALA  31   3.372  -4.696  -1.996
  271    HB1  ALA  31           3HB      ALA  31   2.416  -3.085  -3.564
  272    HB2  ALA  31           1HB      ALA  31   1.498  -4.593  -3.573
  273    HB3  ALA  31           2HB      ALA  31   2.625  -4.236  -4.884
  274    H    GLN  32           H        GLN  32   4.205  -5.875  -5.245
  275    HA   GLN  32           HA       GLN  32   3.113  -8.446  -4.951
  276    HB2  GLN  32           1HB      GLN  32   3.660  -7.558  -7.134
  277    HB3  GLN  32           2HB      GLN  32   5.360  -7.444  -6.708
  278    HG2  GLN  32           1HG      GLN  32   5.494  -9.869  -6.561
  279    HG3  GLN  32           2HG      GLN  32   3.787  -9.996  -6.973
  280   HE21  GLN  32          1HE2      GLN  32   5.891  -7.631  -8.442
  281   HE22  GLN  32          2HE2      GLN  32   5.923  -8.357 -10.010
  282    H    ARG  33           H        ARG  33   6.245  -7.133  -4.082
  283    HA   ARG  33           HA       ARG  33   7.617  -9.546  -3.673
  284    HB2  ARG  33           1HB      ARG  33   8.583  -7.196  -3.745
  285    HB3  ARG  33           2HB      ARG  33   8.036  -7.016  -2.084
  286    HG2  ARG  33           1HG      ARG  33   9.425  -8.976  -1.473
  287    HG3  ARG  33           2HG      ARG  33  10.047  -8.997  -3.124
  288    HD2  ARG  33           1HD      ARG  33  10.379  -6.852  -1.043
  289    HD3  ARG  33           2HD      ARG  33  11.634  -7.832  -1.795
  290    HE   ARG  33           HE       ARG  33  10.314  -5.497  -2.911
  291   HH11  ARG  33          1HH1      ARG  33  12.423  -8.232  -3.485
  292   HH12  ARG  33          2HH1      ARG  33  13.169  -7.518  -4.882
  293   HH21  ARG  33          1HH2      ARG  33  11.293  -4.550  -4.722
  294   HH22  ARG  33          2HH2      ARG  33  12.512  -5.425  -5.606
  295    H    LEU  34           H        LEU  34   5.470  -7.682  -1.607
  296    HA   LEU  34           HA       LEU  34   6.027  -9.400   0.668
  297    HB2  LEU  34           1HB      LEU  34   4.266  -6.972   0.396
  298    HB3  LEU  34           2HB      LEU  34   4.534  -7.851   1.887
  299    HG   LEU  34           HG       LEU  34   6.656  -6.398   0.311
  300   HD11  LEU  34          1HD1      LEU  34   6.649  -4.818   2.154
  301   HD12  LEU  34          2HD1      LEU  34   5.351  -5.715   2.938
  302   HD13  LEU  34          3HD1      LEU  34   5.058  -4.903   1.401
  303   HD21  LEU  34          3HD2      LEU  34   8.093  -6.852   2.232
  304   HD22  LEU  34          1HD2      LEU  34   7.541  -8.350   1.484
  305   HD23  LEU  34          2HD2      LEU  34   6.802  -7.790   2.985
  306    H    GLY  35           H        GLY  35   3.542  -8.951  -1.742
  307    HA2  GLY  35           1HA      GLY  35   2.246 -11.046  -2.077
  308    HA3  GLY  35           2HA      GLY  35   1.996 -11.054  -0.342
  309    H    LEU  36           H        LEU  36   1.708  -8.300  -2.596
  310    HA   LEU  36           HA       LEU  36  -1.069  -8.071  -1.667
  311    HB2  LEU  36           1HB      LEU  36   0.642  -5.966  -2.981
  312    HB3  LEU  36           2HB      LEU  36  -0.983  -5.746  -2.357
  313    HG   LEU  36           HG       LEU  36   1.487  -6.339  -0.731
  314   HD11  LEU  36          1HD1      LEU  36   1.068  -4.122   0.225
  315   HD12  LEU  36          2HD1      LEU  36  -0.291  -3.903  -0.876
  316   HD13  LEU  36          3HD1      LEU  36   1.348  -4.033  -1.514
  317   HD21  LEU  36          3HD2      LEU  36  -1.358  -5.941   0.191
  318   HD22  LEU  36          1HD2      LEU  36   0.053  -6.164   1.224
  319   HD23  LEU  36          2HD2      LEU  36  -0.493  -7.477   0.181
  320    H    ASN  37           H        ASN  37  -2.691  -8.312  -2.992
  321    HA   ASN  37           HA       ASN  37  -2.258  -8.492  -5.864
  322    HB2  ASN  37           1HB      ASN  37  -4.775  -8.982  -5.865
  323    HB3  ASN  37           2HB      ASN  37  -3.734 -10.179  -5.108
  324   HD21  ASN  37          1HD2      ASN  37  -4.480  -7.162  -3.503
  325   HD22  ASN  37          2HD2      ASN  37  -5.500  -7.853  -2.280
  326    H    GLU  38           H        GLU  38  -3.782  -7.220  -7.299
  327    HA   GLU  38           HA       GLU  38  -3.339  -4.487  -6.775
  328    HB2  GLU  38           1HB      GLU  38  -5.179  -5.757  -8.809
  329    HB3  GLU  38           2HB      GLU  38  -4.709  -4.063  -8.792
  330    HG2  GLU  38           1HG      GLU  38  -2.352  -4.760  -9.060
  331    HG3  GLU  38           2HG      GLU  38  -2.899  -6.431  -9.200
  332    H    GLU  39           H        GLU  39  -5.968  -6.545  -5.928
  333    HA   GLU  39           HA       GLU  39  -8.077  -4.782  -5.575
  334    HB2  GLU  39           1HB      GLU  39  -8.182  -7.222  -5.247
  335    HB3  GLU  39           2HB      GLU  39  -7.233  -7.057  -3.776
  336    HG2  GLU  39           1HG      GLU  39  -9.553  -7.338  -3.226
  337    HG3  GLU  39           2HG      GLU  39  -9.039  -5.707  -2.796
  338    H    ALA  40           H        ALA  40  -5.624  -5.720  -3.210
  339    HA   ALA  40           HA       ALA  40  -6.361  -3.866  -1.215
  340    HB1  ALA  40           3HB      ALA  40  -5.035  -5.915  -0.804
  341    HB2  ALA  40           1HB      ALA  40  -4.283  -4.467  -0.139
  342    HB3  ALA  40           2HB      ALA  40  -3.673  -5.169  -1.637
  343    H    ILE  41           H        ILE  41  -4.141  -3.740  -3.906
  344    HA   ILE  41           HA       ILE  41  -2.717  -1.430  -3.119
  345    HB   ILE  41           HB       ILE  41  -3.139  -2.490  -5.920
  346   HG12  ILE  41          1HG1      ILE  41  -0.976  -3.144  -3.901
  347   HG13  ILE  41          2HG1      ILE  41  -2.278  -4.227  -4.393
  348   HG21  ILE  41          1HG2      ILE  41  -2.231  -0.240  -5.890
  349   HG22  ILE  41          2HG2      ILE  41  -0.995  -1.389  -6.394
  350   HG23  ILE  41          3HG2      ILE  41  -0.976  -0.742  -4.755
  351   HD11  ILE  41          3HD1      ILE  41  -0.192  -4.797  -5.490
  352   HD12  ILE  41          1HD1      ILE  41  -0.085  -3.174  -6.170
  353   HD13  ILE  41          2HD1      ILE  41  -1.388  -4.255  -6.666
  354    H    ARG  42           H        ARG  42  -5.413  -1.909  -5.389
  355    HA   ARG  42           HA       ARG  42  -5.680   0.818  -6.076
  356    HB2  ARG  42           1HB      ARG  42  -6.619  -1.112  -7.379
  357    HB3  ARG  42           2HB      ARG  42  -7.846  -1.290  -6.136
  358    HG2  ARG  42           1HG      ARG  42  -8.597   1.008  -6.611
  359    HG3  ARG  42           2HG      ARG  42  -7.417   1.084  -7.919
  360    HD2  ARG  42           1HD      ARG  42  -9.741  -0.810  -7.691
  361    HD3  ARG  42           2HD      ARG  42  -9.586   0.537  -8.816
  362    HE   ARG  42           HE       ARG  42  -8.110  -1.997  -8.921
  363   HH11  ARG  42          1HH1      ARG  42  -8.894   1.083 -10.364
  364   HH12  ARG  42          2HH1      ARG  42  -8.408   0.610 -11.962
  365   HH21  ARG  42          1HH2      ARG  42  -7.433  -2.629 -11.009
  366   HH22  ARG  42          2HH2      ARG  42  -7.577  -1.507 -12.332
  367    H    GLN  43           H        GLN  43  -7.247  -1.224  -3.654
  368    HA   GLN  43           HA       GLN  43  -9.096   0.713  -2.738
  369    HB2  GLN  43           1HB      GLN  43  -9.152  -1.804  -2.338
  370    HB3  GLN  43           2HB      GLN  43  -7.945  -1.540  -1.087
  371    HG2  GLN  43           1HG      GLN  43  -9.542   0.022   0.019
  372    HG3  GLN  43           2HG      GLN  43 -10.751  -0.456  -1.171
  373   HE21  GLN  43          1HE2      GLN  43  -8.967  -1.387   1.630
  374   HE22  GLN  43          2HE2      GLN  43  -9.851  -2.833   1.976
  375    H    PHE  44           H        PHE  44  -5.729   0.291  -2.237
  376    HA   PHE  44           HA       PHE  44  -5.621   1.764   0.247
  377    HB2  PHE  44           1HB      PHE  44  -4.001  -0.097  -0.589
  378    HB3  PHE  44           2HB      PHE  44  -3.249   1.199  -1.515
  379    HD1  PHE  44           HD1      PHE  44  -3.890  -0.144   1.814
  380    HD2  PHE  44           HD2      PHE  44  -2.009   2.957  -0.408
  381    HE1  PHE  44           HE1      PHE  44  -2.602   0.489   3.807
  382    HE2  PHE  44           HE2      PHE  44  -0.711   3.598   1.585
  383    HZ   PHE  44           HZ       PHE  44  -1.013   2.363   3.695
  384    H    PHE  45           H        PHE  45  -5.069   2.359  -3.183
  385    HA   PHE  45           HA       PHE  45  -4.069   5.018  -2.733
  386    HB2  PHE  45           1HB      PHE  45  -4.708   3.412  -5.180
  387    HB3  PHE  45           2HB      PHE  45  -4.460   5.150  -5.309
  388    HD1  PHE  45           HD1      PHE  45  -2.283   5.942  -3.908
  389    HD2  PHE  45           HD2      PHE  45  -2.894   2.112  -5.652
  390    HE1  PHE  45           HE1      PHE  45   0.152   5.606  -4.009
  391    HE2  PHE  45           HE2      PHE  45  -0.460   1.770  -5.756
  392    HZ   PHE  45           HZ       PHE  45   1.066   3.516  -4.933
  393    H    GLU  46           H        GLU  46  -7.050   3.735  -4.255
  394    HA   GLU  46           HA       GLU  46  -8.082   6.362  -4.638
  395    HB2  GLU  46           1HB      GLU  46  -9.966   5.360  -5.628
  396    HB3  GLU  46           2HB      GLU  46  -8.622   4.312  -6.030
  397    HG2  GLU  46           1HG      GLU  46  -9.298   2.713  -4.373
  398    HG3  GLU  46           2HG      GLU  46 -10.583   3.788  -3.820
  399    H    GLU  47           H        GLU  47  -8.817   3.778  -2.347
  400    HA   GLU  47           HA       GLU  47 -10.529   5.620  -0.853
  401    HB2  GLU  47           1HB      GLU  47 -10.132   2.644  -0.708
  402    HB3  GLU  47           2HB      GLU  47 -11.019   3.530   0.525
  403    HG2  GLU  47           1HG      GLU  47 -12.492   4.378  -1.348
  404    HG3  GLU  47           2HG      GLU  47 -11.710   3.172  -2.371
  405    H    PHE  48           H        PHE  48  -7.838   6.224  -0.813
  406    HA   PHE  48           HA       PHE  48  -6.450   5.152   1.392
  407    HB2  PHE  48           1HB      PHE  48  -5.416   6.496  -0.443
  408    HB3  PHE  48           2HB      PHE  48  -6.184   7.930   0.225
  409    HD1  PHE  48           HD1      PHE  48  -3.860   5.176   1.147
  410    HD2  PHE  48           HD2      PHE  48  -5.080   9.201   1.817
  411    HE1  PHE  48           HE1      PHE  48  -1.937   5.503   2.648
  412    HE2  PHE  48           HE2      PHE  48  -3.158   9.535   3.321
  413    HZ   PHE  48           HZ       PHE  48  -1.586   7.684   3.737
  414    H    GLU  49           H        GLU  49  -8.270   8.204   1.085
  415    HA   GLU  49           HA       GLU  49  -8.296   8.388   4.028
  416    HB2  GLU  49           1HB      GLU  49  -8.637  10.803   3.704
  417    HB3  GLU  49           2HB      GLU  49  -7.168  10.239   2.913
  418    HG2  GLU  49           1HG      GLU  49  -8.322  10.193   0.771
  419    HG3  GLU  49           2HG      GLU  49  -9.805  10.736   1.552
  420    H    GLN  50           H        GLN  50 -10.271   7.596   1.480
  421    HA   GLN  50           HA       GLN  50 -12.662   8.959   2.447
  422    HB2  GLN  50           1HB      GLN  50 -12.359   7.060   0.117
  423    HB3  GLN  50           2HB      GLN  50 -13.725   8.122   0.441
  424    HG2  GLN  50           1HG      GLN  50 -12.279  10.067   0.122
  425    HG3  GLN  50           2HG      GLN  50 -10.919   8.999  -0.223
  426   HE21  GLN  50          1HE2      GLN  50 -11.061   7.654  -2.142
  427   HE22  GLN  50          2HE2      GLN  50 -12.018   8.188  -3.481
  428    H    ARG  51           H        ARG  51 -11.311   6.809   3.938
  429    HA   ARG  51           HA       ARG  51 -12.988   4.477   3.750
  430    HB2  ARG  51           1HB      ARG  51 -10.742   5.252   5.592
  431    HB3  ARG  51           2HB      ARG  51 -11.608   3.727   5.736
  432    HG2  ARG  51           1HG      ARG  51 -10.851   2.997   3.636
  433    HG3  ARG  51           2HG      ARG  51 -10.281   4.610   3.202
  434    HD2  ARG  51           1HD      ARG  51  -8.560   4.490   4.887
  435    HD3  ARG  51           2HD      ARG  51  -9.157   2.916   5.426
  436    HE   ARG  51           HE       ARG  51  -8.556   2.811   2.676
  437   HH11  ARG  51          1HH1      ARG  51  -6.981   2.983   5.796
  438   HH12  ARG  51          2HH1      ARG  51  -5.508   2.235   5.245
  439   HH21  ARG  51          1HH2      ARG  51  -6.622   1.804   1.948
  440   HH22  ARG  51          2HH2      ARG  51  -5.312   1.572   3.060
  441    H    LYS  52           H        LYS  52 -14.757   6.393   4.251
  442    HA   LYS  52           HA       LYS  52 -15.781   5.435   6.803
  443    HB2  LYS  52           1HB      LYS  52 -15.760   8.374   6.065
  444    HB3  LYS  52           2HB      LYS  52 -16.696   7.686   7.382
  445    HG2  LYS  52           1HG      LYS  52 -14.476   6.883   8.335
  446    HG3  LYS  52           2HG      LYS  52 -13.716   7.951   7.155
  447    HD2  LYS  52           1HD      LYS  52 -13.929   9.103   9.270
  448    HD3  LYS  52           2HD      LYS  52 -15.012   9.841   8.085
  449    HE2  LYS  52           1HE      LYS  52 -16.889   8.591   9.009
  450    HE3  LYS  52           2HE      LYS  52 -15.813   7.814  10.171
  451    HZ1  LYS  52           3HZ      LYS  52 -16.355  10.737  10.027
  452    HZ2  LYS  52           1HZ      LYS  52 -15.373   9.958  11.171
  453    HZ3  LYS  52           2HZ      LYS  52 -17.042   9.669  11.149
  Start of MODEL   12
    1    H1   MET   1           1H       MET   1  -2.730 -18.245  -1.506
    2    H2   MET   1           2H       MET   1  -2.421 -16.604  -1.224
    3    H3   MET   1           3H       MET   1  -3.803 -17.329  -0.565
    4    HA   MET   1           HA       MET   1  -2.422 -18.762   0.799
    5    HB2  MET   1           1HB      MET   1  -0.426 -18.752  -0.659
    6    HB3  MET   1           2HB      MET   1  -0.175 -17.049  -0.301
    7    HG2  MET   1           1HG      MET   1   1.336 -18.421   0.991
    8    HG3  MET   1           2HG      MET   1   0.195 -17.593   2.049
    9    HE1  MET   1           3HE      MET   1   1.229 -20.991   0.409
   10    HE2  MET   1           1HE      MET   1  -0.408 -20.774  -0.204
   11    HE3  MET   1           2HE      MET   1  -0.064 -22.065   0.944
   12    H    LYS   2           H        LYS   2  -1.373 -15.406   0.261
   13    HA   LYS   2           HA       LYS   2  -2.955 -14.433   2.435
   14    HB2  LYS   2           1HB      LYS   2  -0.881 -15.445   3.529
   15    HB3  LYS   2           2HB      LYS   2   0.040 -14.179   2.732
   16    HG2  LYS   2           1HG      LYS   2  -1.171 -12.479   3.934
   17    HG3  LYS   2           2HG      LYS   2  -2.226 -13.695   4.657
   18    HD2  LYS   2           1HD      LYS   2   0.755 -13.449   5.068
   19    HD3  LYS   2           2HD      LYS   2  -0.494 -12.999   6.230
   20    HE2  LYS   2           1HE      LYS   2  -1.255 -15.339   6.287
   21    HE3  LYS   2           2HE      LYS   2   0.031 -15.771   5.160
   22    HZ1  LYS   2           3HZ      LYS   2   1.653 -15.000   6.814
   23    HZ2  LYS   2           1HZ      LYS   2   0.701 -16.279   7.395
   24    HZ3  LYS   2           2HZ      LYS   2   0.390 -14.692   7.906
   25    H    GLN   3           H        GLN   3  -3.671 -12.570   1.673
   26    HA   GLN   3           HA       GLN   3  -1.982 -11.104  -0.257
   27    HB2  GLN   3           1HB      GLN   3  -5.004 -11.284  -0.168
   28    HB3  GLN   3           2HB      GLN   3  -4.070 -10.353  -1.327
   29    HG2  GLN   3           1HG      GLN   3  -3.894 -13.342  -1.049
   30    HG3  GLN   3           2HG      GLN   3  -4.965 -12.515  -2.177
   31   HE21  GLN   3          1HE2      GLN   3  -3.993 -13.377  -3.980
   32   HE22  GLN   3          2HE2      GLN   3  -2.407 -12.919  -4.508
   33    H    TRP   4           H        TRP   4  -1.588  -8.961   0.210
   34    HA   TRP   4           HA       TRP   4  -1.693  -6.902   1.282
   35    HB2  TRP   4           1HB      TRP   4  -4.217  -7.296   0.751
   36    HB3  TRP   4           2HB      TRP   4  -4.270  -7.758   2.443
   37    HD1  TRP   4           HD1      TRP   4  -5.548  -5.903   3.608
   38    HE1  TRP   4           HE1      TRP   4  -5.394  -3.342   3.735
   39    HE3  TRP   4           HE3      TRP   4  -1.935  -5.130   0.089
   40    HZ2  TRP   4           HZ2      TRP   4  -3.929  -1.273   2.512
   41    HZ3  TRP   4           HZ3      TRP   4  -1.212  -2.831  -0.377
   42    HH2  TRP   4           HH2      TRP   4  -2.196  -0.940   0.810
   43    H    SER   5           H        SER   5  -1.253  -9.586   2.394
   44    HA   SER   5           HA       SER   5  -1.339 -10.550   4.676
   45    HB2  SER   5           1HB      SER   5   1.298  -9.366   3.810
   46    HB3  SER   5           2HB      SER   5   1.099 -10.673   4.981
   47    HG   SER   5           HG       SER   5   1.229 -10.863   2.345
   48    H    GLU   6           H        GLU   6  -1.366 -10.255   6.799
   49    HA   GLU   6           HA       GLU   6  -2.166  -8.092   8.095
   50    HB2  GLU   6           1HB      GLU   6  -1.763 -10.376   9.049
   51    HB3  GLU   6           2HB      GLU   6  -0.078  -9.934   9.271
   52    HG2  GLU   6           1HG      GLU   6  -2.260  -8.294  10.493
   53    HG3  GLU   6           2HG      GLU   6  -1.709  -9.780  11.261
   54    H    ASN   7           H        ASN   7   1.324  -8.781   7.800
   55    HA   ASN   7           HA       ASN   7   2.261  -6.488   9.090
   56    HB2  ASN   7           1HB      ASN   7   3.522  -8.147   6.928
   57    HB3  ASN   7           2HB      ASN   7   4.384  -6.915   7.842
   58   HD21  ASN   7          1HD2      ASN   7   4.784  -7.252  10.048
   59   HD22  ASN   7          2HD2      ASN   7   4.740  -8.845  10.736
   60    H    VAL   8           H        VAL   8   1.285  -6.976   5.778
   61    HA   VAL   8           HA       VAL   8   2.554  -4.800   4.553
   62    HB   VAL   8           HB       VAL   8  -0.093  -6.129   3.822
   63   HG11  VAL   8          1HG1      VAL   8   0.133  -3.896   2.845
   64   HG12  VAL   8          2HG1      VAL   8   0.255  -5.155   1.616
   65   HG13  VAL   8          3HG1      VAL   8   1.709  -4.333   2.185
   66   HG21  VAL   8          3HG2      VAL   8   1.269  -7.369   2.210
   67   HG22  VAL   8          1HG2      VAL   8   1.819  -7.662   3.859
   68   HG23  VAL   8          2HG2      VAL   8   2.726  -6.576   2.808
   69    H    GLU   9           H        GLU   9  -0.739  -5.091   5.836
   70    HA   GLU   9           HA       GLU   9  -1.730  -2.607   5.281
   71    HB2  GLU   9           1HB      GLU   9  -2.166  -4.545   7.507
   72    HB3  GLU   9           2HB      GLU   9  -2.947  -2.965   7.594
   73    HG2  GLU   9           1HG      GLU   9  -3.912  -3.423   5.345
   74    HG3  GLU   9           2HG      GLU   9  -3.240  -5.047   5.445
   75    H    GLU  10           H        GLU  10   0.153  -3.518   8.140
   76    HA   GLU  10           HA       GLU  10   0.297  -0.895   9.215
   77    HB2  GLU  10           1HB      GLU  10   0.680  -2.682  10.727
   78    HB3  GLU  10           2HB      GLU  10   1.890  -3.412   9.680
   79    HG2  GLU  10           1HG      GLU  10   3.370  -1.485  10.100
   80    HG3  GLU  10           2HG      GLU  10   2.174  -0.841  11.225
   81    H    LYS  11           H        LYS  11   2.799  -2.874   7.602
   82    HA   LYS  11           HA       LYS  11   4.722  -0.829   7.800
   83    HB2  LYS  11           1HB      LYS  11   5.377  -3.140   7.728
   84    HB3  LYS  11           2HB      LYS  11   4.710  -3.313   6.108
   85    HG2  LYS  11           1HG      LYS  11   6.458  -2.248   5.122
   86    HG3  LYS  11           2HG      LYS  11   6.762  -1.221   6.518
   87    HD2  LYS  11           1HD      LYS  11   8.545  -2.911   6.081
   88    HD3  LYS  11           2HD      LYS  11   7.839  -2.993   7.693
   89    HE2  LYS  11           1HE      LYS  11   6.353  -4.830   6.832
   90    HE3  LYS  11           2HE      LYS  11   7.311  -4.813   5.350
   91    HZ1  LYS  11           3HZ      LYS  11   9.227  -5.487   6.515
   92    HZ2  LYS  11           1HZ      LYS  11   7.984  -6.494   7.083
   93    HZ3  LYS  11           2HZ      LYS  11   8.525  -5.190   8.030
   94    H    LEU  12           H        LEU  12   2.530  -1.671   5.144
   95    HA   LEU  12           HA       LEU  12   3.884  -0.016   3.255
   96    HB2  LEU  12           1HB      LEU  12   2.316  -1.807   2.590
   97    HB3  LEU  12           2HB      LEU  12   0.988  -0.863   3.246
   98    HG   LEU  12           HG       LEU  12   1.442   0.911   1.598
   99   HD11  LEU  12          1HD1      LEU  12   3.838   0.535   1.300
  100   HD12  LEU  12          2HD1      LEU  12   2.989   0.505  -0.246
  101   HD13  LEU  12          3HD1      LEU  12   3.500  -1.005   0.509
  102   HD21  LEU  12          3HD2      LEU  12  -0.191  -0.813   1.069
  103   HD22  LEU  12          1HD2      LEU  12   1.088  -1.832   0.400
  104   HD23  LEU  12          2HD2      LEU  12   0.674  -0.304  -0.382
  105    H    LYS  13           H        LYS  13   1.079   0.477   5.378
  106    HA   LYS  13           HA       LYS  13   0.524   3.141   4.851
  107    HB2  LYS  13           1HB      LYS  13  -0.896   2.051   6.370
  108    HB3  LYS  13           2HB      LYS  13   0.443   1.469   7.346
  109    HG2  LYS  13           1HG      LYS  13   0.828   3.998   7.821
  110    HG3  LYS  13           2HG      LYS  13  -0.855   4.149   7.310
  111    HD2  LYS  13           1HD      LYS  13  -1.575   2.611   9.001
  112    HD3  LYS  13           2HD      LYS  13   0.095   2.226   9.430
  113    HE2  LYS  13           1HE      LYS  13  -0.737   3.721  11.087
  114    HE3  LYS  13           2HE      LYS  13   0.388   4.632  10.080
  115    HZ1  LYS  13           3HZ      LYS  13  -2.581   4.727  10.022
  116    HZ2  LYS  13           1HZ      LYS  13  -1.609   5.437   8.830
  117    HZ3  LYS  13           2HZ      LYS  13  -1.515   5.976  10.432
  118    H    GLU  14           H        GLU  14   2.865   1.784   7.100
  119    HA   GLU  14           HA       GLU  14   3.914   4.248   8.009
  120    HB2  GLU  14           1HB      GLU  14   5.192   1.513   7.987
  121    HB3  GLU  14           2HB      GLU  14   5.668   2.876   8.997
  122    HG2  GLU  14           1HG      GLU  14   2.929   1.649   9.081
  123    HG3  GLU  14           2HG      GLU  14   4.266   1.107  10.107
  124    H    PHE  15           H        PHE  15   4.607   2.288   5.225
  125    HA   PHE  15           HA       PHE  15   7.247   3.319   4.855
  126    HB2  PHE  15           1HB      PHE  15   6.371   1.031   4.201
  127    HB3  PHE  15           2HB      PHE  15   5.525   1.823   2.885
  128    HD1  PHE  15           HD1      PHE  15   8.937   2.527   4.162
  129    HD2  PHE  15           HD2      PHE  15   6.577   0.928   1.009
  130    HE1  PHE  15           HE1      PHE  15  10.960   2.268   2.792
  131    HE2  PHE  15           HE2      PHE  15   8.596   0.660  -0.369
  132    HZ   PHE  15           HZ       PHE  15  10.791   1.336   0.519
  133    H    VAL  16           H        VAL  16   4.033   4.049   3.668
  134    HA   VAL  16           HA       VAL  16   5.027   5.986   1.751
  135    HB   VAL  16           HB       VAL  16   2.179   5.474   2.636
  136   HG11  VAL  16          1HG1      VAL  16   2.473   7.662   1.614
  137   HG12  VAL  16          2HG1      VAL  16   1.563   6.590   0.547
  138   HG13  VAL  16          3HG1      VAL  16   3.266   6.920   0.222
  139   HG21  VAL  16          3HG2      VAL  16   3.173   3.469   1.662
  140   HG22  VAL  16          1HG2      VAL  16   3.672   4.394   0.246
  141   HG23  VAL  16          2HG2      VAL  16   1.956   4.158   0.588
  142    H    LYS  17           H        LYS  17   3.681   5.917   4.975
  143    HA   LYS  17           HA       LYS  17   3.323   8.794   5.086
  144    HB2  LYS  17           1HB      LYS  17   2.868   6.600   7.099
  145    HB3  LYS  17           2HB      LYS  17   2.632   8.302   7.458
  146    HG2  LYS  17           1HG      LYS  17   1.189   6.855   5.257
  147    HG3  LYS  17           2HG      LYS  17   0.565   7.034   6.900
  148    HD2  LYS  17           1HD      LYS  17   0.765   9.500   6.648
  149    HD3  LYS  17           2HD      LYS  17   1.253   9.254   4.972
  150    HE2  LYS  17           1HE      LYS  17  -0.895   8.194   4.498
  151    HE3  LYS  17           2HE      LYS  17  -1.385   8.411   6.177
  152    HZ1  LYS  17           3HZ      LYS  17  -0.855  10.535   4.177
  153    HZ2  LYS  17           1HZ      LYS  17  -1.098  10.835   5.830
  154    HZ3  LYS  17           2HZ      LYS  17  -2.340  10.144   4.906
  155    H    ARG  18           H        ARG  18   5.266   6.372   6.808
  156    HA   ARG  18           HA       ARG  18   6.615   8.587   8.189
  157    HB2  ARG  18           1HB      ARG  18   6.078   5.729   8.984
  158    HB3  ARG  18           2HB      ARG  18   7.165   6.784   9.887
  159    HG2  ARG  18           1HG      ARG  18   5.411   8.270  10.453
  160    HG3  ARG  18           2HG      ARG  18   4.305   7.515   9.307
  161    HD2  ARG  18           1HD      ARG  18   4.113   5.567  10.645
  162    HD3  ARG  18           2HD      ARG  18   5.466   6.057  11.672
  163    HE   ARG  18           HE       ARG  18   3.716   8.080  12.016
  164   HH11  ARG  18          1HH1      ARG  18   3.288   4.607  12.142
  165   HH12  ARG  18          2HH1      ARG  18   2.044   4.685  13.358
  166   HH21  ARG  18          1HH2      ARG  18   2.118   8.177  13.627
  167   HH22  ARG  18          2HH2      ARG  18   1.401   6.711  14.218
  168    H    HIS  19           H        HIS  19   7.131   6.600   5.675
  169    HA   HIS  19           HA       HIS  19  10.021   6.627   6.164
  170    HB2  HIS  19           1HB      HIS  19   8.392   4.630   4.603
  171    HB3  HIS  19           2HB      HIS  19  10.137   4.772   4.431
  172    HD1  HIS  19           HD1      HIS  19   7.514   3.770   6.975
  173    HD2  HIS  19           HD2      HIS  19  11.621   3.576   6.386
  174    HE1  HIS  19           HE1      HIS  19   8.414   2.230   8.767
  175    H    GLN  20           H        GLN  20   9.073   8.882   5.364
  176    HA   GLN  20           HA       GLN  20   9.325  10.531   3.861
  177    HB2  GLN  20           1HB      GLN  20  10.676   8.361   2.296
  178    HB3  GLN  20           2HB      GLN  20  10.460   9.973   1.636
  179    HG2  GLN  20           1HG      GLN  20  11.823  10.905   3.378
  180    HG3  GLN  20           2HG      GLN  20  11.902   9.344   4.199
  181   HE21  GLN  20          1HE2      GLN  20  14.062  11.029   3.153
  182   HE22  GLN  20          2HE2      GLN  20  14.927  10.042   2.016
  183    H    ARG  21           H        ARG  21   8.519   7.717   1.868
  184    HA   ARG  21           HA       ARG  21   6.012   7.894   1.109
  185    HB2  ARG  21           1HB      ARG  21   6.548  10.444   0.773
  186    HB3  ARG  21           2HB      ARG  21   7.305   9.914  -0.720
  187    HG2  ARG  21           1HG      ARG  21   5.215   8.993  -1.503
  188    HG3  ARG  21           2HG      ARG  21   4.435   9.394   0.026
  189    HD2  ARG  21           1HD      ARG  21   5.597  11.353  -1.949
  190    HD3  ARG  21           2HD      ARG  21   3.883  11.036  -1.688
  191    HE   ARG  21           HE       ARG  21   5.600  12.104   0.456
  192   HH11  ARG  21          1HH1      ARG  21   2.704  12.277  -1.509
  193   HH12  ARG  21          2HH1      ARG  21   2.059  13.647  -0.648
  194   HH21  ARG  21          1HH2      ARG  21   4.774  13.888   1.563
  195   HH22  ARG  21          2HH2      ARG  21   3.245  14.573   1.098
  196    H    ILE  22           H        ILE  22   5.700   7.282  -1.357
  197    HA   ILE  22           HA       ILE  22   8.083   6.395  -2.703
  198    HB   ILE  22           HB       ILE  22   7.792   4.584  -1.075
  199   HG12  ILE  22          1HG1      ILE  22   6.995   3.679  -3.848
  200   HG13  ILE  22          2HG1      ILE  22   8.637   4.107  -3.370
  201   HG21  ILE  22          1HG2      ILE  22   5.416   4.758  -0.663
  202   HG22  ILE  22          2HG2      ILE  22   5.818   3.118  -1.176
  203   HG23  ILE  22          3HG2      ILE  22   5.065   4.237  -2.313
  204   HD11  ILE  22          3HD1      ILE  22   7.002   1.876  -2.185
  205   HD12  ILE  22          1HD1      ILE  22   8.668   2.285  -1.777
  206   HD13  ILE  22          2HD1      ILE  22   8.279   1.693  -3.392
  207    H    THR  23           H        THR  23   7.696   5.838  -4.887
  208    HA   THR  23           HA       THR  23   5.215   6.892  -5.929
  209    HB   THR  23           HB       THR  23   6.213   6.631  -8.127
  210    HG1  THR  23           HG1      THR  23   8.537   5.521  -6.901
  211   HG21  THR  23          3HG2      THR  23   8.134   8.092  -7.878
  212   HG22  THR  23          1HG2      THR  23   8.262   7.677  -6.169
  213   HG23  THR  23          2HG2      THR  23   6.865   8.581  -6.756
  214    H    GLN  24           H        GLN  24   4.113   5.670  -7.735
  215    HA   GLN  24           HA       GLN  24   3.081   3.282  -6.643
  216    HB2  GLN  24           1HB      GLN  24   1.767   4.808  -8.039
  217    HB3  GLN  24           2HB      GLN  24   2.776   4.415  -9.424
  218    HG2  GLN  24           1HG      GLN  24   2.008   2.119  -9.366
  219    HG3  GLN  24           2HG      GLN  24   1.041   2.459  -7.932
  220   HE21  GLN  24          1HE2      GLN  24   1.366   4.744 -10.547
  221   HE22  GLN  24          2HE2      GLN  24  -0.261   4.597 -11.130
  222    H    GLU  25           H        GLU  25   5.428   3.881  -9.222
  223    HA   GLU  25           HA       GLU  25   5.542   1.276 -10.272
  224    HB2  GLU  25           1HB      GLU  25   6.536   3.365 -11.267
  225    HB3  GLU  25           2HB      GLU  25   7.823   3.248 -10.078
  226    HG2  GLU  25           1HG      GLU  25   7.283   0.916 -11.846
  227    HG3  GLU  25           2HG      GLU  25   8.114   2.320 -12.511
  228    H    GLU  26           H        GLU  26   7.607   2.855  -7.853
  229    HA   GLU  26           HA       GLU  26   9.132   0.572  -7.206
  230    HB2  GLU  26           1HB      GLU  26   8.521   2.993  -5.499
  231    HB3  GLU  26           2HB      GLU  26   9.839   1.861  -5.244
  232    HG2  GLU  26           1HG      GLU  26  10.947   2.574  -7.214
  233    HG3  GLU  26           2HG      GLU  26   9.544   3.503  -7.743
  234    H    LEU  27           H        LEU  27   6.152   1.921  -5.928
  235    HA   LEU  27           HA       LEU  27   5.936   0.253  -3.661
  236    HB2  LEU  27           1HB      LEU  27   4.729   2.419  -4.067
  237    HB3  LEU  27           2HB      LEU  27   3.698   1.571  -5.199
  238    HG   LEU  27           HG       LEU  27   3.877   0.611  -2.360
  239   HD11  LEU  27          1HD1      LEU  27   3.444   3.013  -2.223
  240   HD12  LEU  27          2HD1      LEU  27   2.012   2.082  -1.786
  241   HD13  LEU  27          3HD1      LEU  27   2.118   2.844  -3.373
  242   HD21  LEU  27          3HD2      LEU  27   2.694  -0.770  -4.004
  243   HD22  LEU  27          1HD2      LEU  27   1.676   0.606  -4.437
  244   HD23  LEU  27          2HD2      LEU  27   1.572  -0.098  -2.822
  245    H    HIS  28           H        HIS  28   4.869  -0.101  -7.006
  246    HA   HIS  28           HA       HIS  28   3.152  -2.304  -6.442
  247    HB2  HIS  28           1HB      HIS  28   3.319  -0.639  -8.544
  248    HB3  HIS  28           2HB      HIS  28   4.207  -2.020  -9.192
  249    HD1  HIS  28           HD1      HIS  28   2.853  -4.373  -9.090
  250    HD2  HIS  28           HD2      HIS  28   0.629  -0.898  -8.591
  251    HE1  HIS  28           HE1      HIS  28   0.430  -5.048  -9.298
  252    H    GLN  29           H        GLN  29   6.513  -2.003  -7.414
  253    HA   GLN  29           HA       GLN  29   7.075  -4.728  -7.856
  254    HB2  GLN  29           1HB      GLN  29   8.579  -2.595  -8.096
  255    HB3  GLN  29           2HB      GLN  29   8.962  -2.872  -6.408
  256    HG2  GLN  29           1HG      GLN  29   9.497  -4.752  -8.701
  257    HG3  GLN  29           2HG      GLN  29  10.682  -3.783  -7.836
  258   HE21  GLN  29          1HE2      GLN  29   8.836  -6.672  -7.876
  259   HE22  GLN  29          2HE2      GLN  29   9.490  -7.375  -6.438
  260    H    TYR  30           H        TYR  30   7.125  -2.722  -4.973
  261    HA   TYR  30           HA       TYR  30   7.831  -4.669  -3.091
  262    HB2  TYR  30           1HB      TYR  30   7.723  -2.074  -2.968
  263    HB3  TYR  30           2HB      TYR  30   6.056  -2.324  -2.471
  264    HD1  TYR  30           HD1      TYR  30   9.113  -4.266  -1.574
  265    HD2  TYR  30           HD2      TYR  30   5.995  -1.696  -0.237
  266    HE1  TYR  30           HE1      TYR  30   9.868  -4.562   0.747
  267    HE2  TYR  30           HE2      TYR  30   6.747  -1.983   2.089
  268    HH   TYR  30           HH       TYR  30   9.732  -3.374   2.905
  269    H    ALA  31           H        ALA  31   4.769  -3.864  -4.574
  270    HA   ALA  31           HA       ALA  31   2.997  -4.988  -2.725
  271    HB1  ALA  31           3HB      ALA  31   2.262  -3.567  -4.575
  272    HB2  ALA  31           1HB      ALA  31   1.392  -5.104  -4.572
  273    HB3  ALA  31           2HB      ALA  31   2.699  -4.831  -5.726
  274    H    GLN  32           H        GLN  32   4.330  -6.460  -5.683
  275    HA   GLN  32           HA       GLN  32   3.105  -8.992  -5.038
  276    HB2  GLN  32           1HB      GLN  32   5.061  -8.273  -7.230
  277    HB3  GLN  32           2HB      GLN  32   4.151  -9.773  -7.116
  278    HG2  GLN  32           1HG      GLN  32   2.056  -8.479  -7.292
  279    HG3  GLN  32           2HG      GLN  32   3.009  -7.011  -7.502
  280   HE21  GLN  32          1HE2      GLN  32   4.126  -6.682  -9.429
  281   HE22  GLN  32          2HE2      GLN  32   3.755  -7.591 -10.856
  282    H    ARG  33           H        ARG  33   5.932  -7.420  -4.188
  283    HA   ARG  33           HA       ARG  33   7.567  -9.764  -3.840
  284    HB2  ARG  33           1HB      ARG  33   8.409  -7.409  -4.303
  285    HB3  ARG  33           2HB      ARG  33   7.990  -7.029  -2.640
  286    HG2  ARG  33           1HG      ARG  33   9.574  -8.635  -1.816
  287    HG3  ARG  33           2HG      ARG  33   9.920  -9.189  -3.457
  288    HD2  ARG  33           1HD      ARG  33  10.728  -6.915  -4.006
  289    HD3  ARG  33           2HD      ARG  33  10.468  -6.448  -2.327
  290    HE   ARG  33           HE       ARG  33  12.093  -8.449  -1.922
  291   HH11  ARG  33          1HH1      ARG  33  12.247  -6.083  -4.503
  292   HH12  ARG  33          2HH1      ARG  33  13.974  -6.187  -4.665
  293   HH21  ARG  33          1HH2      ARG  33  14.368  -8.601  -2.152
  294   HH22  ARG  33          2HH2      ARG  33  15.179  -7.606  -3.327
  295    H    LEU  34           H        LEU  34   5.467  -7.740  -1.874
  296    HA   LEU  34           HA       LEU  34   6.164  -9.142   0.567
  297    HB2  LEU  34           1HB      LEU  34   4.116  -7.004  -0.000
  298    HB3  LEU  34           2HB      LEU  34   4.364  -7.720   1.578
  299    HG   LEU  34           HG       LEU  34   6.336  -6.048   0.028
  300   HD11  LEU  34          1HD1      LEU  34   4.496  -4.829   1.099
  301   HD12  LEU  34          2HD1      LEU  34   6.055  -4.473   1.840
  302   HD13  LEU  34          3HD1      LEU  34   4.927  -5.562   2.645
  303   HD21  LEU  34          3HD2      LEU  34   7.502  -7.833   1.224
  304   HD22  LEU  34          1HD2      LEU  34   6.659  -7.396   2.710
  305   HD23  LEU  34          2HD2      LEU  34   7.798  -6.267   1.976
  306    H    GLY  35           H        GLY  35   3.594  -9.185  -1.817
  307    HA2  GLY  35           1HA      GLY  35   2.358 -11.335  -1.919
  308    HA3  GLY  35           2HA      GLY  35   2.234 -11.236  -0.172
  309    H    LEU  36           H        LEU  36   1.707  -8.732  -2.659
  310    HA   LEU  36           HA       LEU  36  -0.770  -8.114  -1.270
  311    HB2  LEU  36           1HB      LEU  36   0.547  -6.566  -3.499
  312    HB3  LEU  36           2HB      LEU  36  -0.823  -6.050  -2.534
  313    HG   LEU  36           HG       LEU  36   2.065  -6.140  -1.775
  314   HD11  LEU  36          1HD1      LEU  36   1.502  -4.011  -0.745
  315   HD12  LEU  36          2HD1      LEU  36  -0.200  -4.245  -1.151
  316   HD13  LEU  36          3HD1      LEU  36   0.996  -4.042  -2.436
  317   HD21  LEU  36          3HD2      LEU  36   1.154  -5.892   0.639
  318   HD22  LEU  36          1HD2      LEU  36   1.376  -7.496  -0.060
  319   HD23  LEU  36          2HD2      LEU  36  -0.230  -6.788   0.009
  320    H    ASN  37           H        ASN  37  -2.472  -7.160  -2.730
  321    HA   ASN  37           HA       ASN  37  -3.076  -8.971  -4.948
  322    HB2  ASN  37           1HB      ASN  37  -5.298  -9.374  -4.055
  323    HB3  ASN  37           2HB      ASN  37  -4.117  -9.808  -2.822
  324   HD21  ASN  37          1HD2      ASN  37  -3.805  -8.365  -1.048
  325   HD22  ASN  37          2HD2      ASN  37  -5.021  -7.212  -0.614
  326    H    GLU  38           H        GLU  38  -4.408  -8.009  -6.515
  327    HA   GLU  38           HA       GLU  38  -3.852  -5.284  -6.875
  328    HB2  GLU  38           1HB      GLU  38  -5.846  -7.058  -8.296
  329    HB3  GLU  38           2HB      GLU  38  -5.337  -5.471  -8.857
  330    HG2  GLU  38           1HG      GLU  38  -3.389  -7.708  -8.382
  331    HG3  GLU  38           2HG      GLU  38  -4.220  -7.481  -9.920
  332    H    GLU  39           H        GLU  39  -6.618  -6.905  -5.509
  333    HA   GLU  39           HA       GLU  39  -8.550  -4.901  -5.566
  334    HB2  GLU  39           1HB      GLU  39  -9.372  -6.911  -4.793
  335    HB3  GLU  39           2HB      GLU  39  -7.935  -7.235  -3.832
  336    HG2  GLU  39           1HG      GLU  39  -8.669  -5.752  -2.094
  337    HG3  GLU  39           2HG      GLU  39 -10.019  -5.188  -3.087
  338    H    ALA  40           H        ALA  40  -6.308  -5.669  -2.936
  339    HA   ALA  40           HA       ALA  40  -7.144  -3.451  -1.368
  340    HB1  ALA  40           3HB      ALA  40  -5.416  -4.153   0.173
  341    HB2  ALA  40           1HB      ALA  40  -4.711  -5.201  -1.061
  342    HB3  ALA  40           2HB      ALA  40  -6.318  -5.551  -0.417
  343    H    ILE  41           H        ILE  41  -4.605  -3.980  -3.680
  344    HA   ILE  41           HA       ILE  41  -2.918  -1.861  -2.946
  345    HB   ILE  41           HB       ILE  41  -3.349  -2.981  -5.724
  346   HG12  ILE  41          1HG1      ILE  41  -1.332  -3.740  -3.600
  347   HG13  ILE  41          2HG1      ILE  41  -2.733  -4.707  -4.068
  348   HG21  ILE  41          1HG2      ILE  41  -2.201  -0.840  -5.762
  349   HG22  ILE  41          2HG2      ILE  41  -1.078  -2.139  -6.161
  350   HG23  ILE  41          3HG2      ILE  41  -1.051  -1.414  -4.554
  351   HD11  ILE  41          3HD1      ILE  41  -1.804  -4.985  -6.297
  352   HD12  ILE  41          1HD1      ILE  41  -0.667  -5.534  -5.067
  353   HD13  ILE  41          2HD1      ILE  41  -0.422  -3.980  -5.858
  354    H    ARG  42           H        ARG  42  -5.417  -2.060  -5.462
  355    HA   ARG  42           HA       ARG  42  -5.313   0.657  -6.209
  356    HB2  ARG  42           1HB      ARG  42  -6.239  -0.975  -7.712
  357    HB3  ARG  42           2HB      ARG  42  -7.465  -1.434  -6.540
  358    HG2  ARG  42           1HG      ARG  42  -8.441   0.825  -6.746
  359    HG3  ARG  42           2HG      ARG  42  -7.243   1.186  -7.990
  360    HD2  ARG  42           1HD      ARG  42  -8.113  -0.524  -9.422
  361    HD3  ARG  42           2HD      ARG  42  -9.186  -1.108  -8.150
  362    HE   ARG  42           HE       ARG  42  -9.747   1.599  -8.688
  363   HH11  ARG  42          1HH1      ARG  42 -10.101  -1.586 -10.107
  364   HH12  ARG  42          2HH1      ARG  42 -11.504  -1.152 -11.045
  365   HH21  ARG  42          1HH2      ARG  42 -11.595   2.177  -9.915
  366   HH22  ARG  42          2HH2      ARG  42 -12.377   0.973 -10.897
  367    H    GLN  43           H        GLN  43  -7.248  -1.097  -3.845
  368    HA   GLN  43           HA       GLN  43  -9.117   0.959  -3.330
  369    HB2  GLN  43           1HB      GLN  43  -9.075  -1.606  -2.692
  370    HB3  GLN  43           2HB      GLN  43  -8.360  -0.998  -1.204
  371    HG2  GLN  43           1HG      GLN  43 -10.694  -1.190  -0.842
  372    HG3  GLN  43           2HG      GLN  43 -10.324   0.530  -0.984
  373   HE21  GLN  43          1HE2      GLN  43 -12.372   1.130  -1.614
  374   HE22  GLN  43          2HE2      GLN  43 -13.026   0.722  -3.170
  375    H    PHE  44           H        PHE  44  -5.892   0.371  -2.223
  376    HA   PHE  44           HA       PHE  44  -5.970   2.028   0.105
  377    HB2  PHE  44           1HB      PHE  44  -4.308   0.142  -0.507
  378    HB3  PHE  44           2HB      PHE  44  -3.493   1.361  -1.476
  379    HD1  PHE  44           HD1      PHE  44  -4.716   0.746   1.985
  380    HD2  PHE  44           HD2      PHE  44  -1.842   2.660  -0.502
  381    HE1  PHE  44           HE1      PHE  44  -3.457   1.441   3.983
  382    HE2  PHE  44           HE2      PHE  44  -0.574   3.355   1.494
  383    HZ   PHE  44           HZ       PHE  44  -1.383   2.739   3.741
  384    H    PHE  45           H        PHE  45  -5.493   2.583  -3.296
  385    HA   PHE  45           HA       PHE  45  -4.373   5.231  -2.854
  386    HB2  PHE  45           1HB      PHE  45  -4.974   3.661  -5.358
  387    HB3  PHE  45           2HB      PHE  45  -4.456   5.340  -5.395
  388    HD1  PHE  45           HD1      PHE  45  -2.308   5.752  -3.800
  389    HD2  PHE  45           HD2      PHE  45  -3.345   2.105  -5.729
  390    HE1  PHE  45           HE1      PHE  45   0.043   5.035  -3.698
  391    HE2  PHE  45           HE2      PHE  45  -0.994   1.383  -5.632
  392    HZ   PHE  45           HZ       PHE  45   0.703   2.847  -4.615
  393    H    GLU  46           H        GLU  46  -7.342   3.796  -4.180
  394    HA   GLU  46           HA       GLU  46  -8.421   6.323  -4.972
  395    HB2  GLU  46           1HB      GLU  46 -10.307   5.127  -5.726
  396    HB3  GLU  46           2HB      GLU  46  -8.931   4.073  -5.985
  397    HG2  GLU  46           1HG      GLU  46  -9.496   2.796  -4.004
  398    HG3  GLU  46           2HG      GLU  46 -10.875   3.856  -3.713
  399    H    GLU  47           H        GLU  47  -8.594   4.354  -2.150
  400    HA   GLU  47           HA       GLU  47 -10.259   6.430  -0.876
  401    HB2  GLU  47           1HB      GLU  47 -10.046   3.495  -0.223
  402    HB3  GLU  47           2HB      GLU  47 -10.854   4.668   0.807
  403    HG2  GLU  47           1HG      GLU  47 -12.344   5.199  -1.121
  404    HG3  GLU  47           2HG      GLU  47 -11.617   3.832  -1.969
  405    H    PHE  48           H        PHE  48  -7.617   6.982  -1.063
  406    HA   PHE  48           HA       PHE  48  -6.232   6.031   1.281
  407    HB2  PHE  48           1HB      PHE  48  -5.096   6.624  -0.891
  408    HB3  PHE  48           2HB      PHE  48  -5.413   8.313  -0.529
  409    HD1  PHE  48           HD1      PHE  48  -3.919   5.294   1.070
  410    HD2  PHE  48           HD2      PHE  48  -3.760   9.515   0.514
  411    HE1  PHE  48           HE1      PHE  48  -1.840   5.389   2.385
  412    HE2  PHE  48           HE2      PHE  48  -1.682   9.612   1.829
  413    HZ   PHE  48           HZ       PHE  48  -0.722   7.547   2.764
  414    H    GLU  49           H        GLU  49  -6.728   9.424   0.314
  415    HA   GLU  49           HA       GLU  49  -8.423  10.259   2.306
  416    HB2  GLU  49           1HB      GLU  49  -7.000  11.322   3.968
  417    HB3  GLU  49           2HB      GLU  49  -6.686   9.596   3.932
  418    HG2  GLU  49           1HG      GLU  49  -4.649  10.012   2.615
  419    HG3  GLU  49           2HG      GLU  49  -4.971  11.747   2.699
  420    H    GLN  50           H        GLN  50  -5.544  11.015   0.455
  421    HA   GLN  50           HA       GLN  50  -6.597  13.701  -0.089
  422    HB2  GLN  50           1HB      GLN  50  -4.292  14.328  -0.630
  423    HB3  GLN  50           2HB      GLN  50  -4.393  13.651   0.990
  424    HG2  GLN  50           1HG      GLN  50  -3.595  11.495   0.113
  425    HG3  GLN  50           2HG      GLN  50  -3.411  12.243  -1.469
  426   HE21  GLN  50          1HE2      GLN  50  -2.482  14.781  -0.324
  427   HE22  GLN  50          2HE2      GLN  50  -0.850  14.491   0.175
  428    H    ARG  51           H        ARG  51  -6.694  10.767  -1.282
  429    HA   ARG  51           HA       ARG  51  -6.768  11.673  -4.071
  430    HB2  ARG  51           1HB      ARG  51  -5.637   9.101  -2.979
  431    HB3  ARG  51           2HB      ARG  51  -6.191   9.229  -4.639
  432    HG2  ARG  51           1HG      ARG  51  -4.548  10.981  -5.052
  433    HG3  ARG  51           2HG      ARG  51  -3.996  10.850  -3.382
  434    HD2  ARG  51           1HD      ARG  51  -3.297   8.579  -3.730
  435    HD3  ARG  51           2HD      ARG  51  -3.997   8.570  -5.347
  436    HE   ARG  51           HE       ARG  51  -1.908  10.531  -4.856
  437   HH11  ARG  51          1HH1      ARG  51  -2.776   7.392  -6.126
  438   HH12  ARG  51          2HH1      ARG  51  -1.352   7.237  -7.105
  439   HH21  ARG  51          1HH2      ARG  51  -0.037  10.365  -6.138
  440   HH22  ARG  51          2HH2      ARG  51   0.198   8.959  -7.137
  441    H    LYS  52           H        LYS  52  -9.013  11.990  -3.884
  442    HA   LYS  52           HA       LYS  52 -10.529   9.617  -4.369
  443    HB2  LYS  52           1HB      LYS  52 -12.185  10.009  -2.530
  444    HB3  LYS  52           2HB      LYS  52 -10.616   9.439  -1.980
  445    HG2  LYS  52           1HG      LYS  52 -10.017  11.661  -1.258
  446    HG3  LYS  52           2HG      LYS  52 -11.514  12.315  -1.926
  447    HD2  LYS  52           1HD      LYS  52 -12.716  10.693  -0.364
  448    HD3  LYS  52           2HD      LYS  52 -11.157  10.491   0.437
  449    HE2  LYS  52           1HE      LYS  52 -12.500  12.176   1.572
  450    HE3  LYS  52           2HE      LYS  52 -11.065  12.903   0.851
  451    HZ1  LYS  52           3HZ      LYS  52 -13.734  12.907  -0.450
  452    HZ2  LYS  52           1HZ      LYS  52 -12.359  13.773  -0.929
  453    HZ3  LYS  52           2HZ      LYS  52 -13.161  14.180   0.510
  Start of MODEL   13
    1    H1   MET   1           1H       MET   1  -5.003 -10.626   6.417
    2    H2   MET   1           2H       MET   1  -4.966 -10.944   4.747
    3    H3   MET   1           3H       MET   1  -3.946 -11.797   5.795
    4    HA   MET   1           HA       MET   1  -5.700 -13.239   5.218
    5    HB2  MET   1           1HB      MET   1  -4.944 -13.210   7.591
    6    HB3  MET   1           2HB      MET   1  -6.233 -12.075   7.963
    7    HG2  MET   1           1HG      MET   1  -7.886 -13.769   7.282
    8    HG3  MET   1           2HG      MET   1  -6.571 -14.909   7.001
    9    HE1  MET   1           3HE      MET   1  -4.583 -14.187   9.407
   10    HE2  MET   1           1HE      MET   1  -4.979 -15.830   8.911
   11    HE3  MET   1           2HE      MET   1  -5.108 -15.366  10.609
   12    H    LYS   2           H        LYS   2  -6.728  -9.962   5.775
   13    HA   LYS   2           HA       LYS   2  -9.521 -10.716   5.359
   14    HB2  LYS   2           1HB      LYS   2  -8.468  -8.020   6.195
   15    HB3  LYS   2           2HB      LYS   2 -10.136  -8.564   6.245
   16    HG2  LYS   2           1HG      LYS   2  -7.900  -9.691   7.919
   17    HG3  LYS   2           2HG      LYS   2  -9.076  -8.494   8.462
   18    HD2  LYS   2           1HD      LYS   2 -10.879 -10.154   7.956
   19    HD3  LYS   2           2HD      LYS   2  -9.616 -11.343   7.624
   20    HE2  LYS   2           1HE      LYS   2  -8.765 -11.075   9.894
   21    HE3  LYS   2           2HE      LYS   2 -10.023  -9.886  10.230
   22    HZ1  LYS   2           3HZ      LYS   2 -10.486 -12.734   9.515
   23    HZ2  LYS   2           1HZ      LYS   2 -11.689 -11.589   9.858
   24    HZ3  LYS   2           2HZ      LYS   2 -10.609 -12.071  11.071
   25    H    GLN   3           H        GLN   3  -7.033  -9.907   3.522
   26    HA   GLN   3           HA       GLN   3  -8.292  -9.318   1.160
   27    HB2  GLN   3           1HB      GLN   3  -9.113  -7.251   2.316
   28    HB3  GLN   3           2HB      GLN   3  -7.444  -6.751   2.544
   29    HG2  GLN   3           1HG      GLN   3  -8.435  -5.582   0.681
   30    HG3  GLN   3           2HG      GLN   3  -7.147  -6.648   0.119
   31   HE21  GLN   3          1HE2      GLN   3 -10.573  -6.078   0.200
   32   HE22  GLN   3          2HE2      GLN   3 -10.992  -7.219  -1.032
   33    H    TRP   4           H        TRP   4  -5.785  -7.418   2.710
   34    HA   TRP   4           HA       TRP   4  -3.722  -8.580   0.993
   35    HB2  TRP   4           1HB      TRP   4  -2.387  -6.731   2.435
   36    HB3  TRP   4           2HB      TRP   4  -3.259  -6.335   0.970
   37    HD1  TRP   4           HD1      TRP   4  -4.098  -3.945   1.450
   38    HE1  TRP   4           HE1      TRP   4  -5.604  -2.860   3.237
   39    HE3  TRP   4           HE3      TRP   4  -4.412  -7.850   4.670
   40    HZ2  TRP   4           HZ2      TRP   4  -6.767  -3.591   5.715
   41    HZ3  TRP   4           HZ3      TRP   4  -5.733  -7.600   6.735
   42    HH2  TRP   4           HH2      TRP   4  -6.885  -5.515   7.243
   43    H    SER   5           H        SER   5  -1.512  -8.737   2.373
   44    HA   SER   5           HA       SER   5  -1.988 -10.277   4.757
   45    HB2  SER   5           1HB      SER   5   0.625  -9.119   3.770
   46    HB3  SER   5           2HB      SER   5   0.415 -10.467   4.887
   47    HG   SER   5           HG       SER   5  -0.827 -11.396   2.962
   48    H    GLU   6           H        GLU   6  -2.367  -9.335   6.743
   49    HA   GLU   6           HA       GLU   6  -2.538  -6.535   6.893
   50    HB2  GLU   6           1HB      GLU   6  -2.911  -6.968   9.395
   51    HB3  GLU   6           2HB      GLU   6  -4.087  -7.556   8.233
   52    HG2  GLU   6           1HG      GLU   6  -1.894  -9.289   9.206
   53    HG3  GLU   6           2HG      GLU   6  -3.368  -9.086  10.152
   54    H    ASN   7           H        ASN   7  -0.039  -8.738   7.870
   55    HA   ASN   7           HA       ASN   7   1.669  -6.990   9.226
   56    HB2  ASN   7           1HB      ASN   7   2.205  -9.346   9.001
   57    HB3  ASN   7           2HB      ASN   7   2.270  -9.195   7.248
   58   HD21  ASN   7          1HD2      ASN   7   4.347  -9.884   7.021
   59   HD22  ASN   7          2HD2      ASN   7   5.724  -8.989   7.594
   60    H    VAL   8           H        VAL   8   1.300  -7.631   5.779
   61    HA   VAL   8           HA       VAL   8   3.243  -5.856   4.828
   62    HB   VAL   8           HB       VAL   8   0.740  -6.907   3.510
   63   HG11  VAL   8          1HG1      VAL   8   1.337  -4.914   2.364
   64   HG12  VAL   8          2HG1      VAL   8   1.879  -6.283   1.394
   65   HG13  VAL   8          3HG1      VAL   8   3.043  -5.364   2.349
   66   HG21  VAL   8          3HG2      VAL   8   3.629  -7.736   3.287
   67   HG22  VAL   8          1HG2      VAL   8   2.285  -8.427   2.378
   68   HG23  VAL   8          2HG2      VAL   8   2.357  -8.618   4.130
   69    H    GLU   9           H        GLU   9  -0.270  -5.429   5.255
   70    HA   GLU   9           HA       GLU   9  -0.506  -2.874   4.190
   71    HB2  GLU   9           1HB      GLU   9  -2.421  -4.291   4.909
   72    HB3  GLU   9           2HB      GLU   9  -2.011  -3.944   6.586
   73    HG2  GLU   9           1HG      GLU   9  -2.161  -1.440   5.459
   74    HG3  GLU   9           2HG      GLU   9  -3.441  -2.324   4.630
   75    H    GLU  10           H        GLU  10   0.321  -3.869   7.472
   76    HA   GLU  10           HA       GLU  10   0.529  -1.359   8.664
   77    HB2  GLU  10           1HB      GLU  10   0.592  -3.169  10.129
   78    HB3  GLU  10           2HB      GLU  10   1.790  -4.030   9.171
   79    HG2  GLU  10           1HG      GLU  10   3.509  -2.490   9.869
   80    HG3  GLU  10           2HG      GLU  10   2.322  -1.531  10.761
   81    H    LYS  11           H        LYS  11   3.104  -3.350   7.257
   82    HA   LYS  11           HA       LYS  11   5.127  -1.419   7.679
   83    HB2  LYS  11           1HB      LYS  11   5.457  -3.864   7.521
   84    HB3  LYS  11           2HB      LYS  11   5.111  -3.780   5.800
   85    HG2  LYS  11           1HG      LYS  11   7.067  -2.328   5.493
   86    HG3  LYS  11           2HG      LYS  11   7.414  -2.453   7.217
   87    HD2  LYS  11           1HD      LYS  11   7.315  -4.771   5.289
   88    HD3  LYS  11           2HD      LYS  11   8.787  -3.993   5.870
   89    HE2  LYS  11           1HE      LYS  11   6.744  -5.414   7.581
   90    HE3  LYS  11           2HE      LYS  11   8.306  -6.062   7.092
   91    HZ1  LYS  11           3HZ      LYS  11   7.918  -3.625   8.758
   92    HZ2  LYS  11           1HZ      LYS  11   9.404  -4.325   8.327
   93    HZ3  LYS  11           2HZ      LYS  11   8.340  -5.158   9.349
   94    H    LEU  12           H        LEU  12   3.041  -2.184   4.963
   95    HA   LEU  12           HA       LEU  12   4.211  -0.530   3.012
   96    HB2  LEU  12           1HB      LEU  12   2.485  -2.129   2.435
   97    HB3  LEU  12           2HB      LEU  12   1.332  -1.320   3.479
   98    HG   LEU  12           HG       LEU  12   1.602   0.708   1.960
   99   HD11  LEU  12          1HD1      LEU  12   2.371   0.276  -0.299
  100   HD12  LEU  12          2HD1      LEU  12   2.800  -1.375   0.144
  101   HD13  LEU  12          3HD1      LEU  12   3.663  -0.015   0.863
  102   HD21  LEU  12          3HD2      LEU  12   0.357  -1.848   0.959
  103   HD22  LEU  12          1HD2      LEU  12   0.048  -0.253   0.271
  104   HD23  LEU  12          2HD2      LEU  12  -0.405  -0.597   1.941
  105    H    LYS  13           H        LYS  13   1.638   0.062   5.354
  106    HA   LYS  13           HA       LYS  13   1.039   2.695   4.820
  107    HB2  LYS  13           1HB      LYS  13  -0.231   1.349   6.373
  108    HB3  LYS  13           2HB      LYS  13   1.138   1.230   7.454
  109    HG2  LYS  13           1HG      LYS  13   0.981   3.660   7.808
  110    HG3  LYS  13           2HG      LYS  13  -0.466   3.683   6.812
  111    HD2  LYS  13           1HD      LYS  13  -1.128   3.603   9.123
  112    HD3  LYS  13           2HD      LYS  13  -1.516   2.062   8.362
  113    HE2  LYS  13           1HE      LYS  13   0.575   1.118   9.322
  114    HE3  LYS  13           2HE      LYS  13   0.841   2.647  10.159
  115    HZ1  LYS  13           3HZ      LYS  13  -0.190   1.191  11.682
  116    HZ2  LYS  13           1HZ      LYS  13  -1.369   0.718  10.561
  117    HZ3  LYS  13           2HZ      LYS  13  -1.389   2.288  11.199
  118    H    GLU  14           H        GLU  14   3.503   1.407   6.991
  119    HA   GLU  14           HA       GLU  14   4.534   3.876   7.860
  120    HB2  GLU  14           1HB      GLU  14   5.928   1.200   7.625
  121    HB3  GLU  14           2HB      GLU  14   6.484   2.568   8.583
  122    HG2  GLU  14           1HG      GLU  14   4.580   2.416  10.018
  123    HG3  GLU  14           2HG      GLU  14   3.857   1.169   9.000
  124    H    PHE  15           H        PHE  15   5.490   1.721   5.212
  125    HA   PHE  15           HA       PHE  15   7.790   3.185   4.480
  126    HB2  PHE  15           1HB      PHE  15   7.404   0.796   3.974
  127    HB3  PHE  15           2HB      PHE  15   6.139   1.257   2.847
  128    HD1  PHE  15           HD1      PHE  15   9.590   2.536   3.445
  129    HD2  PHE  15           HD2      PHE  15   6.838   0.806   0.696
  130    HE1  PHE  15           HE1      PHE  15  11.278   2.688   1.665
  131    HE2  PHE  15           HE2      PHE  15   8.526   0.954  -1.086
  132    HZ   PHE  15           HZ       PHE  15  10.750   1.895  -0.606
  133    H    VAL  16           H        VAL  16   4.435   3.665   3.805
  134    HA   VAL  16           HA       VAL  16   5.034   5.406   1.549
  135    HB   VAL  16           HB       VAL  16   2.367   4.723   2.801
  136   HG11  VAL  16          1HG1      VAL  16   1.372   5.773   0.823
  137   HG12  VAL  16          2HG1      VAL  16   2.976   6.247   0.267
  138   HG13  VAL  16          3HG1      VAL  16   2.322   6.935   1.752
  139   HG21  VAL  16          3HG2      VAL  16   3.652   3.791   0.233
  140   HG22  VAL  16          1HG2      VAL  16   2.020   3.391   0.771
  141   HG23  VAL  16          2HG2      VAL  16   3.414   2.822   1.687
  142    H    LYS  17           H        LYS  17   2.965   5.912   4.458
  143    HA   LYS  17           HA       LYS  17   3.121   8.724   3.974
  144    HB2  LYS  17           1HB      LYS  17   1.672   8.952   5.938
  145    HB3  LYS  17           2HB      LYS  17   1.048   7.872   4.708
  146    HG2  LYS  17           1HG      LYS  17   2.277   6.090   6.267
  147    HG3  LYS  17           2HG      LYS  17   1.896   7.328   7.470
  148    HD2  LYS  17           1HD      LYS  17  -0.079   6.178   5.525
  149    HD3  LYS  17           2HD      LYS  17   0.120   5.600   7.182
  150    HE2  LYS  17           1HE      LYS  17  -0.648   8.409   6.379
  151    HE3  LYS  17           2HE      LYS  17  -1.773   7.174   6.937
  152    HZ1  LYS  17           3HZ      LYS  17   0.474   8.312   8.527
  153    HZ2  LYS  17           1HZ      LYS  17  -0.629   7.140   9.069
  154    HZ3  LYS  17           2HZ      LYS  17  -1.166   8.706   8.709
  155    H    ARG  18           H        ARG  18   4.799   6.560   6.008
  156    HA   ARG  18           HA       ARG  18   5.820   8.719   7.691
  157    HB2  ARG  18           1HB      ARG  18   6.200   5.722   7.854
  158    HB3  ARG  18           2HB      ARG  18   6.884   6.877   8.990
  159    HG2  ARG  18           1HG      ARG  18   4.741   7.510   9.780
  160    HG3  ARG  18           2HG      ARG  18   3.936   6.652   8.466
  161    HD2  ARG  18           1HD      ARG  18   3.768   5.416  10.564
  162    HD3  ARG  18           2HD      ARG  18   4.700   4.525   9.365
  163    HE   ARG  18           HE       ARG  18   6.573   5.883  10.826
  164   HH11  ARG  18          1HH1      ARG  18   3.984   3.658  11.624
  165   HH12  ARG  18          2HH1      ARG  18   4.840   2.947  12.956
  166   HH21  ARG  18          1HH2      ARG  18   7.685   4.978  12.581
  167   HH22  ARG  18          2HH2      ARG  18   6.942   3.707  13.520
  168    H    HIS  19           H        HIS  19   6.652   7.155   4.833
  169    HA   HIS  19           HA       HIS  19   9.486   7.879   5.191
  170    HB2  HIS  19           1HB      HIS  19   8.262   5.536   3.757
  171    HB3  HIS  19           2HB      HIS  19   9.869   6.115   3.334
  172    HD1  HIS  19           HD1      HIS  19  11.470   4.461   4.345
  173    HD2  HIS  19           HD2      HIS  19   8.347   5.439   6.918
  174    HE1  HIS  19           HE1      HIS  19  11.952   3.297   6.535
  175    H    GLN  20           H        GLN  20   9.589   7.037   2.192
  176    HA   GLN  20           HA       GLN  20   9.743   9.719   1.270
  177    HB2  GLN  20           1HB      GLN  20   9.892   7.132  -0.277
  178    HB3  GLN  20           2HB      GLN  20  10.332   8.714  -0.903
  179    HG2  GLN  20           1HG      GLN  20  12.093   8.865   0.813
  180    HG3  GLN  20           2HG      GLN  20  11.679   7.237   1.347
  181   HE21  GLN  20          1HE2      GLN  20  13.719   6.447   0.855
  182   HE22  GLN  20          2HE2      GLN  20  14.246   6.197  -0.780
  183    H    ARG  21           H        ARG  21   7.011   8.015   1.719
  184    HA   ARG  21           HA       ARG  21   4.878   8.183   0.983
  185    HB2  ARG  21           1HB      ARG  21   6.065  10.391  -0.662
  186    HB3  ARG  21           2HB      ARG  21   4.430   9.840  -0.986
  187    HG2  ARG  21           1HG      ARG  21   4.336  11.750   0.438
  188    HG3  ARG  21           2HG      ARG  21   3.842  10.335   1.364
  189    HD2  ARG  21           1HD      ARG  21   5.986  10.236   2.455
  190    HD3  ARG  21           2HD      ARG  21   6.613  11.520   1.423
  191    HE   ARG  21           HE       ARG  21   4.473  12.674   2.627
  192   HH11  ARG  21          1HH1      ARG  21   7.280  10.960   3.869
  193   HH12  ARG  21          2HH1      ARG  21   7.349  11.896   5.336
  194   HH21  ARG  21          1HH2      ARG  21   4.546  13.855   4.563
  195   HH22  ARG  21          2HH2      ARG  21   5.790  13.533   5.735
  196    H    ILE  22           H        ILE  22   7.466   7.383  -1.000
  197    HA   ILE  22           HA       ILE  22   7.811   5.725  -2.470
  198    HB   ILE  22           HB       ILE  22   5.933   4.652  -0.909
  199   HG12  ILE  22          1HG1      ILE  22   6.806   3.406  -3.521
  200   HG13  ILE  22          2HG1      ILE  22   7.798   3.489  -2.069
  201   HG21  ILE  22          1HG2      ILE  22   4.650   4.651  -3.640
  202   HG22  ILE  22          2HG2      ILE  22   4.028   5.453  -2.198
  203   HG23  ILE  22          3HG2      ILE  22   4.121   3.692  -2.257
  204   HD11  ILE  22          3HD1      ILE  22   5.160   2.065  -2.302
  205   HD12  ILE  22          1HD1      ILE  22   6.204   2.105  -0.881
  206   HD13  ILE  22          2HD1      ILE  22   6.751   1.304  -2.355
  207    H    THR  23           H        THR  23   7.747   5.361  -4.644
  208    HA   THR  23           HA       THR  23   5.813   6.897  -6.213
  209    HB   THR  23           HB       THR  23   7.390   6.203  -8.127
  210    HG1  THR  23           HG1      THR  23   9.541   5.727  -7.378
  211   HG21  THR  23          3HG2      THR  23   7.292   8.478  -7.238
  212   HG22  THR  23          1HG2      THR  23   8.951   8.033  -7.633
  213   HG23  THR  23          2HG2      THR  23   8.414   8.033  -5.953
  214    H    GLN  24           H        GLN  24   4.766   5.817  -8.043
  215    HA   GLN  24           HA       GLN  24   3.561   3.426  -7.183
  216    HB2  GLN  24           1HB      GLN  24   2.448   5.087  -8.620
  217    HB3  GLN  24           2HB      GLN  24   3.517   4.643  -9.944
  218    HG2  GLN  24           1HG      GLN  24   2.572   2.480 -10.103
  219    HG3  GLN  24           2HG      GLN  24   1.687   2.683  -8.592
  220   HE21  GLN  24          1HE2      GLN  24  -0.186   3.909  -8.573
  221   HE22  GLN  24          2HE2      GLN  24  -1.003   4.377 -10.018
  222    H    GLU  25           H        GLU  25   6.297   3.971  -9.310
  223    HA   GLU  25           HA       GLU  25   6.409   1.414 -10.498
  224    HB2  GLU  25           1HB      GLU  25   7.754   3.317 -11.283
  225    HB3  GLU  25           2HB      GLU  25   8.677   3.283  -9.788
  226    HG2  GLU  25           1HG      GLU  25   9.491   1.040 -10.351
  227    HG3  GLU  25           2HG      GLU  25   8.595   1.108 -11.867
  228    H    GLU  26           H        GLU  26   8.215   2.681  -7.695
  229    HA   GLU  26           HA       GLU  26   9.273   0.212  -6.857
  230    HB2  GLU  26           1HB      GLU  26  10.141   2.401  -6.109
  231    HB3  GLU  26           2HB      GLU  26   8.652   2.691  -5.223
  232    HG2  GLU  26           1HG      GLU  26  10.366   2.021  -3.694
  233    HG3  GLU  26           2HG      GLU  26   9.160   0.742  -3.797
  234    H    LEU  27           H        LEU  27   6.268   1.872  -6.227
  235    HA   LEU  27           HA       LEU  27   5.316   0.437  -4.051
  236    HB2  LEU  27           1HB      LEU  27   4.280   2.476  -4.821
  237    HB3  LEU  27           2HB      LEU  27   3.829   1.719  -6.336
  238    HG   LEU  27           HG       LEU  27   2.354   0.160  -5.032
  239   HD11  LEU  27          1HD1      LEU  27   2.995   2.062  -2.784
  240   HD12  LEU  27          2HD1      LEU  27   3.419   0.351  -2.865
  241   HD13  LEU  27          3HD1      LEU  27   1.727   0.838  -2.765
  242   HD21  LEU  27          3HD2      LEU  27   1.472   2.109  -6.208
  243   HD22  LEU  27          1HD2      LEU  27   1.787   3.112  -4.792
  244   HD23  LEU  27          2HD2      LEU  27   0.590   1.821  -4.707
  245    H    HIS  28           H        HIS  28   4.751  -0.219  -7.521
  246    HA   HIS  28           HA       HIS  28   3.050  -2.422  -6.942
  247    HB2  HIS  28           1HB      HIS  28   3.243  -0.999  -9.136
  248    HB3  HIS  28           2HB      HIS  28   4.454  -2.202  -9.576
  249    HD1  HIS  28           HD1      HIS  28   3.107  -4.733  -8.448
  250    HD2  HIS  28           HD2      HIS  28   1.115  -1.803 -10.617
  251    HE1  HIS  28           HE1      HIS  28   1.008  -5.814  -9.323
  252    H    GLN  29           H        GLN  29   6.485  -2.127  -7.656
  253    HA   GLN  29           HA       GLN  29   7.038  -4.897  -7.791
  254    HB2  GLN  29           1HB      GLN  29   8.648  -3.268  -8.592
  255    HB3  GLN  29           2HB      GLN  29   8.786  -2.562  -6.989
  256    HG2  GLN  29           1HG      GLN  29  10.708  -3.943  -7.503
  257    HG3  GLN  29           2HG      GLN  29   9.792  -4.611  -6.154
  258   HE21  GLN  29          1HE2      GLN  29  10.636  -6.649  -6.450
  259   HE22  GLN  29          2HE2      GLN  29  10.164  -7.668  -7.768
  260    H    TYR  30           H        TYR  30   6.940  -2.565  -5.168
  261    HA   TYR  30           HA       TYR  30   7.798  -4.291  -3.095
  262    HB2  TYR  30           1HB      TYR  30   7.726  -1.759  -3.089
  263    HB3  TYR  30           2HB      TYR  30   5.991  -1.879  -2.848
  264    HD1  TYR  30           HD1      TYR  30   9.091  -3.331  -1.322
  265    HD2  TYR  30           HD2      TYR  30   5.275  -1.556  -0.698
  266    HE1  TYR  30           HE1      TYR  30   9.452  -3.420   1.109
  267    HE2  TYR  30           HE2      TYR  30   5.624  -1.638   1.733
  268    HH   TYR  30           HH       TYR  30   6.963  -2.864   3.367
  269    H    ALA  31           H        ALA  31   4.725  -3.721  -4.636
  270    HA   ALA  31           HA       ALA  31   3.042  -4.792  -2.625
  271    HB1  ALA  31           3HB      ALA  31   2.571  -4.553  -5.600
  272    HB2  ALA  31           1HB      ALA  31   2.228  -3.309  -4.398
  273    HB3  ALA  31           2HB      ALA  31   1.333  -4.829  -4.375
  274    H    GLN  32           H        GLN  32   4.320  -6.166  -5.642
  275    HA   GLN  32           HA       GLN  32   3.165  -8.742  -5.135
  276    HB2  GLN  32           1HB      GLN  32   5.314  -7.966  -7.121
  277    HB3  GLN  32           2HB      GLN  32   4.369  -9.449  -7.138
  278    HG2  GLN  32           1HG      GLN  32   3.213  -6.688  -7.441
  279    HG3  GLN  32           2HG      GLN  32   3.614  -7.762  -8.777
  280   HE21  GLN  32          1HE2      GLN  32   2.751 -10.166  -7.455
  281   HE22  GLN  32          2HE2      GLN  32   1.018 -10.122  -7.432
  282    H    ARG  33           H        ARG  33   5.921  -7.130  -4.076
  283    HA   ARG  33           HA       ARG  33   7.613  -9.404  -3.672
  284    HB2  ARG  33           1HB      ARG  33   8.507  -7.130  -3.961
  285    HB3  ARG  33           2HB      ARG  33   7.713  -6.626  -2.478
  286    HG2  ARG  33           1HG      ARG  33   9.114  -8.146  -1.198
  287    HG3  ARG  33           2HG      ARG  33   9.897  -8.687  -2.685
  288    HD2  ARG  33           1HD      ARG  33  10.741  -6.449  -3.088
  289    HD3  ARG  33           2HD      ARG  33   9.894  -5.849  -1.663
  290    HE   ARG  33           HE       ARG  33  11.496  -7.840  -0.700
  291   HH11  ARG  33          1HH1      ARG  33  12.052  -4.956  -2.604
  292   HH12  ARG  33          2HH1      ARG  33  13.650  -4.684  -1.984
  293   HH21  ARG  33          1HH2      ARG  33  13.611  -7.519   0.109
  294   HH22  ARG  33          2HH2      ARG  33  14.545  -6.158  -0.436
  295    H    LEU  34           H        LEU  34   5.260  -7.608  -1.749
  296    HA   LEU  34           HA       LEU  34   5.906  -9.280   0.567
  297    HB2  LEU  34           1HB      LEU  34   4.411  -6.690   0.316
  298    HB3  LEU  34           2HB      LEU  34   4.472  -7.622   1.796
  299    HG   LEU  34           HG       LEU  34   6.787  -6.309   0.385
  300   HD11  LEU  34          1HD1      LEU  34   5.499  -5.842   3.069
  301   HD12  LEU  34          2HD1      LEU  34   5.394  -4.789   1.657
  302   HD13  LEU  34          3HD1      LEU  34   6.943  -5.026   2.468
  303   HD21  LEU  34          3HD2      LEU  34   6.813  -8.021   2.871
  304   HD22  LEU  34          1HD2      LEU  34   8.187  -7.145   2.194
  305   HD23  LEU  34          2HD2      LEU  34   7.465  -8.481   1.298
  306    H    GLY  35           H        GLY  35   3.316  -8.636  -1.703
  307    HA2  GLY  35           1HA      GLY  35   1.800 -10.598  -1.933
  308    HA3  GLY  35           2HA      GLY  35   1.679 -10.576  -0.177
  309    H    LEU  36           H        LEU  36   1.551  -7.759  -2.337
  310    HA   LEU  36           HA       LEU  36  -1.139  -7.221  -1.336
  311    HB2  LEU  36           1HB      LEU  36   0.630  -5.568  -3.137
  312    HB3  LEU  36           2HB      LEU  36  -0.971  -5.105  -2.590
  313    HG   LEU  36           HG       LEU  36   1.437  -5.513  -0.818
  314   HD11  LEU  36          1HD1      LEU  36  -0.021  -2.992  -1.587
  315   HD12  LEU  36          2HD1      LEU  36   1.536  -3.502  -2.238
  316   HD13  LEU  36          3HD1      LEU  36   1.381  -3.118  -0.525
  317   HD21  LEU  36          3HD2      LEU  36  -0.000  -4.606   0.950
  318   HD22  LEU  36          1HD2      LEU  36  -0.651  -6.112   0.305
  319   HD23  LEU  36          2HD2      LEU  36  -1.357  -4.570  -0.173
  320    H    ASN  37           H        ASN  37  -2.883  -7.681  -2.438
  321    HA   ASN  37           HA       ASN  37  -2.702  -8.436  -5.231
  322    HB2  ASN  37           1HB      ASN  37  -4.989  -9.118  -5.089
  323    HB3  ASN  37           2HB      ASN  37  -4.184  -9.689  -3.639
  324   HD21  ASN  37          1HD2      ASN  37  -4.279  -6.950  -2.410
  325   HD22  ASN  37          2HD2      ASN  37  -5.918  -6.790  -1.885
  326    H    GLU  38           H        GLU  38  -4.132  -7.406  -6.833
  327    HA   GLU  38           HA       GLU  38  -3.490  -4.733  -7.085
  328    HB2  GLU  38           1HB      GLU  38  -5.824  -6.105  -8.415
  329    HB3  GLU  38           2HB      GLU  38  -4.998  -4.661  -8.982
  330    HG2  GLU  38           1HG      GLU  38  -4.029  -6.245 -10.307
  331    HG3  GLU  38           2HG      GLU  38  -2.898  -6.222  -8.951
  332    H    GLU  39           H        GLU  39  -6.327  -6.142  -5.617
  333    HA   GLU  39           HA       GLU  39  -7.969  -3.900  -5.413
  334    HB2  GLU  39           1HB      GLU  39  -8.667  -6.167  -4.809
  335    HB3  GLU  39           2HB      GLU  39  -7.572  -6.141  -3.432
  336    HG2  GLU  39           1HG      GLU  39  -9.765  -5.730  -2.621
  337    HG3  GLU  39           2HG      GLU  39  -8.877  -4.209  -2.538
  338    H    ALA  40           H        ALA  40  -5.574  -5.133  -3.092
  339    HA   ALA  40           HA       ALA  40  -5.922  -3.026  -1.229
  340    HB1  ALA  40           3HB      ALA  40  -5.044  -5.248  -0.621
  341    HB2  ALA  40           1HB      ALA  40  -3.993  -3.937  -0.088
  342    HB3  ALA  40           2HB      ALA  40  -3.564  -4.886  -1.511
  343    H    ILE  41           H        ILE  41  -3.935  -3.419  -4.044
  344    HA   ILE  41           HA       ILE  41  -2.030  -1.402  -3.463
  345    HB   ILE  41           HB       ILE  41  -2.941  -2.315  -6.198
  346   HG12  ILE  41          1HG1      ILE  41  -0.769  -3.429  -4.407
  347   HG13  ILE  41          2HG1      ILE  41  -2.290  -4.229  -4.802
  348   HG21  ILE  41          1HG2      ILE  41  -0.352  -1.066  -5.277
  349   HG22  ILE  41          2HG2      ILE  41  -1.609  -0.270  -6.225
  350   HG23  ILE  41          3HG2      ILE  41  -0.704  -1.619  -6.914
  351   HD11  ILE  41          3HD1      ILE  41  -1.614  -4.389  -7.130
  352   HD12  ILE  41          1HD1      ILE  41  -0.414  -5.131  -6.072
  353   HD13  ILE  41          2HD1      ILE  41  -0.112  -3.538  -6.765
  354    H    ARG  42           H        ARG  42  -5.028  -1.443  -5.340
  355    HA   ARG  42           HA       ARG  42  -5.053   1.358  -5.902
  356    HB2  ARG  42           1HB      ARG  42  -6.250  -0.276  -7.287
  357    HB3  ARG  42           2HB      ARG  42  -7.272  -0.700  -5.922
  358    HG2  ARG  42           1HG      ARG  42  -7.912   1.810  -5.949
  359    HG3  ARG  42           2HG      ARG  42  -7.274   1.764  -7.595
  360    HD2  ARG  42           1HD      ARG  42  -9.688   1.371  -7.559
  361    HD3  ARG  42           2HD      ARG  42  -8.811  -0.040  -8.153
  362    HE   ARG  42           HE       ARG  42  -9.346  -1.190  -6.187
  363   HH11  ARG  42          1HH1      ARG  42 -10.639   2.073  -6.170
  364   HH12  ARG  42          2HH1      ARG  42 -11.704   1.763  -4.822
  365   HH21  ARG  42          1HH2      ARG  42 -10.739  -1.595  -4.445
  366   HH22  ARG  42          2HH2      ARG  42 -11.767  -0.316  -3.853
  367    H    GLN  43           H        GLN  43  -6.105  -0.660  -3.309
  368    HA   GLN  43           HA       GLN  43  -8.104   0.970  -2.183
  369    HB2  GLN  43           1HB      GLN  43  -7.846  -1.430  -1.730
  370    HB3  GLN  43           2HB      GLN  43  -6.347  -1.109  -0.873
  371    HG2  GLN  43           1HG      GLN  43  -7.605   0.208   0.781
  372    HG3  GLN  43           2HG      GLN  43  -9.099  -0.196  -0.066
  373   HE21  GLN  43          1HE2      GLN  43  -9.973  -1.284   1.683
  374   HE22  GLN  43          2HE2      GLN  43  -9.382  -2.829   2.209
  375    H    PHE  44           H        PHE  44  -4.596   0.914  -1.730
  376    HA   PHE  44           HA       PHE  44  -4.833   2.648   0.589
  377    HB2  PHE  44           1HB      PHE  44  -3.113   0.755   0.317
  378    HB3  PHE  44           2HB      PHE  44  -2.242   1.871  -0.729
  379    HD1  PHE  44           HD1      PHE  44  -3.392   1.240   2.696
  380    HD2  PHE  44           HD2      PHE  44  -1.061   3.759   0.178
  381    HE1  PHE  44           HE1      PHE  44  -2.376   2.273   4.680
  382    HE2  PHE  44           HE2      PHE  44  -0.039   4.800   2.163
  383    HZ   PHE  44           HZ       PHE  44  -0.704   4.064   4.418
  384    H    PHE  45           H        PHE  45  -3.960   2.920  -2.802
  385    HA   PHE  45           HA       PHE  45  -2.988   5.634  -2.397
  386    HB2  PHE  45           1HB      PHE  45  -2.746   3.620  -4.515
  387    HB3  PHE  45           2HB      PHE  45  -2.948   5.266  -5.104
  388    HD1  PHE  45           HD1      PHE  45  -1.068   3.643  -2.315
  389    HD2  PHE  45           HD2      PHE  45  -0.982   6.287  -5.646
  390    HE1  PHE  45           HE1      PHE  45   1.312   4.092  -1.890
  391    HE2  PHE  45           HE2      PHE  45   1.399   6.741  -5.227
  392    HZ   PHE  45           HZ       PHE  45   2.550   5.643  -3.350
  393    H    GLU  46           H        GLU  46  -5.203   4.251  -4.824
  394    HA   GLU  46           HA       GLU  46  -6.391   6.748  -5.407
  395    HB2  GLU  46           1HB      GLU  46  -7.291   3.924  -5.975
  396    HB3  GLU  46           2HB      GLU  46  -8.107   5.348  -6.603
  397    HG2  GLU  46           1HG      GLU  46  -6.141   5.982  -7.840
  398    HG3  GLU  46           2HG      GLU  46  -5.231   4.649  -7.131
  399    H    GLU  47           H        GLU  47  -7.605   3.932  -3.626
  400    HA   GLU  47           HA       GLU  47  -9.904   5.500  -2.731
  401    HB2  GLU  47           1HB      GLU  47 -10.018   3.117  -3.705
  402    HB3  GLU  47           2HB      GLU  47  -9.375   2.587  -2.157
  403    HG2  GLU  47           1HG      GLU  47 -11.303   3.602  -1.028
  404    HG3  GLU  47           2HG      GLU  47 -11.953   4.078  -2.597
  405    H    PHE  48           H        PHE  48  -7.406   6.247  -1.720
  406    HA   PHE  48           HA       PHE  48  -6.486   5.139   0.618
  407    HB2  PHE  48           1HB      PHE  48  -5.400   7.016  -0.553
  408    HB3  PHE  48           2HB      PHE  48  -6.682   8.093  -0.035
  409    HD1  PHE  48           HD1      PHE  48  -4.508   5.573   1.662
  410    HD2  PHE  48           HD2      PHE  48  -5.982   9.560   1.564
  411    HE1  PHE  48           HE1      PHE  48  -3.221   6.090   3.692
  412    HE2  PHE  48           HE2      PHE  48  -4.697  10.088   3.595
  413    HZ   PHE  48           HZ       PHE  48  -3.311   8.354   4.662
  414    H    GLU  49           H        GLU  49  -8.567   8.002   0.607
  415    HA   GLU  49           HA       GLU  49 -10.669   7.252   2.135
  416    HB2  GLU  49           1HB      GLU  49 -10.155   7.920   4.433
  417    HB3  GLU  49           2HB      GLU  49  -9.126   6.587   3.932
  418    HG2  GLU  49           1HG      GLU  49  -7.270   8.097   3.602
  419    HG3  GLU  49           2HG      GLU  49  -8.292   9.480   3.992
  420    H    GLN  50           H        GLN  50  -8.243   9.640   1.472
  421    HA   GLN  50           HA       GLN  50 -10.222  11.800   1.747
  422    HB2  GLN  50           1HB      GLN  50  -7.214  12.026   1.426
  423    HB3  GLN  50           2HB      GLN  50  -8.335  13.329   1.815
  424    HG2  GLN  50           1HG      GLN  50  -7.593  10.972   3.527
  425    HG3  GLN  50           2HG      GLN  50  -7.246  12.681   3.827
  426   HE21  GLN  50          1HE2      GLN  50  -8.793  10.607   5.343
  427   HE22  GLN  50          2HE2      GLN  50 -10.350  11.308   5.600
  428    H    ARG  51           H        ARG  51  -9.797   9.742  -0.359
  429    HA   ARG  51           HA       ARG  51  -9.742  11.491  -2.687
  430    HB2  ARG  51           1HB      ARG  51  -7.889   9.117  -2.394
  431    HB3  ARG  51           2HB      ARG  51  -8.124  10.025  -3.869
  432    HG2  ARG  51           1HG      ARG  51  -7.174  11.987  -2.854
  433    HG3  ARG  51           2HG      ARG  51  -7.020  11.130  -1.313
  434    HD2  ARG  51           1HD      ARG  51  -5.602   9.458  -2.463
  435    HD3  ARG  51           2HD      ARG  51  -5.661  10.458  -3.905
  436    HE   ARG  51           HE       ARG  51  -4.655  12.242  -2.355
  437   HH11  ARG  51          1HH1      ARG  51  -3.999   8.801  -2.094
  438   HH12  ARG  51          2HH1      ARG  51  -2.416   9.034  -1.406
  439   HH21  ARG  51          1HH2      ARG  51  -2.587  12.543  -1.496
  440   HH22  ARG  51          2HH2      ARG  51  -1.595  11.170  -1.095
  441    H    LYS  52           H        LYS  52 -11.363  10.941  -3.968
  442    HA   LYS  52           HA       LYS  52 -12.988   9.768  -5.033
  443    HB2  LYS  52           1HB      LYS  52 -10.961   7.530  -4.864
  444    HB3  LYS  52           2HB      LYS  52 -12.293   7.641  -6.005
  445    HG2  LYS  52           1HG      LYS  52 -11.296   9.566  -7.056
  446    HG3  LYS  52           2HG      LYS  52 -10.006   9.594  -5.852
  447    HD2  LYS  52           1HD      LYS  52  -9.170   8.580  -7.874
  448    HD3  LYS  52           2HD      LYS  52  -9.302   7.343  -6.623
  449    HE2  LYS  52           1HE      LYS  52 -10.107   6.490  -8.748
  450    HE3  LYS  52           2HE      LYS  52 -11.433   6.605  -7.593
  451    HZ1  LYS  52           3HZ      LYS  52 -10.845   8.641  -9.674
  452    HZ2  LYS  52           1HZ      LYS  52 -12.194   8.594  -8.648
  453    HZ3  LYS  52           2HZ      LYS  52 -11.997   7.409  -9.844
  Start of MODEL   14
    1    H1   MET   1           1H       MET   1 -13.175  -8.505   6.393
    2    H2   MET   1           2H       MET   1 -12.932 -10.129   5.968
    3    H3   MET   1           3H       MET   1 -14.348  -9.330   5.488
    4    HA   MET   1           HA       MET   1 -12.823  -9.560   3.656
    5    HB2  MET   1           1HB      MET   1 -14.316  -7.660   3.616
    6    HB3  MET   1           2HB      MET   1 -13.262  -6.752   4.693
    7    HG2  MET   1           1HG      MET   1 -11.524  -6.748   2.962
    8    HG3  MET   1           2HG      MET   1 -12.625  -7.596   1.878
    9    HE1  MET   1           3HE      MET   1 -14.858  -6.574   0.933
   10    HE2  MET   1           1HE      MET   1 -15.444  -4.951   1.305
   11    HE3  MET   1           2HE      MET   1 -15.430  -6.193   2.557
   12    H    LYS   2           H        LYS   2 -10.691  -9.915   3.171
   13    HA   LYS   2           HA       LYS   2  -8.738  -8.008   4.249
   14    HB2  LYS   2           1HB      LYS   2  -8.362 -11.008   4.076
   15    HB3  LYS   2           2HB      LYS   2  -7.062  -9.868   4.377
   16    HG2  LYS   2           1HG      LYS   2  -9.467 -10.127   6.162
   17    HG3  LYS   2           2HG      LYS   2  -7.978 -11.044   6.396
   18    HD2  LYS   2           1HD      LYS   2  -6.733  -8.926   6.602
   19    HD3  LYS   2           2HD      LYS   2  -8.241  -8.032   6.419
   20    HE2  LYS   2           1HE      LYS   2  -9.125  -9.125   8.417
   21    HE3  LYS   2           2HE      LYS   2  -7.590  -9.970   8.626
   22    HZ1  LYS   2           3HZ      LYS   2  -7.504  -8.104  10.032
   23    HZ2  LYS   2           1HZ      LYS   2  -8.117  -7.060   8.842
   24    HZ3  LYS   2           2HZ      LYS   2  -6.551  -7.684   8.698
   25    H    GLN   3           H        GLN   3  -7.315  -7.245   2.784
   26    HA   GLN   3           HA       GLN   3  -7.960  -8.056   0.013
   27    HB2  GLN   3           1HB      GLN   3  -6.957  -5.388   1.025
   28    HB3  GLN   3           2HB      GLN   3  -7.436  -5.757  -0.627
   29    HG2  GLN   3           1HG      GLN   3  -9.286  -5.897   1.742
   30    HG3  GLN   3           2HG      GLN   3  -9.126  -4.497   0.683
   31   HE21  GLN   3          1HE2      GLN   3 -10.012  -4.549  -1.341
   32   HE22  GLN   3          2HE2      GLN   3 -11.072  -5.804  -1.882
   33    H    TRP   4           H        TRP   4  -5.561  -8.351   2.232
   34    HA   TRP   4           HA       TRP   4  -3.536  -9.171   0.523
   35    HB2  TRP   4           1HB      TRP   4  -1.874  -7.308   0.982
   36    HB3  TRP   4           2HB      TRP   4  -3.138  -6.918  -0.170
   37    HD1  TRP   4           HD1      TRP   4  -4.807  -6.575   3.004
   38    HE1  TRP   4           HE1      TRP   4  -4.825  -4.150   3.838
   39    HE3  TRP   4           HE3      TRP   4  -1.175  -4.677  -0.026
   40    HZ2  TRP   4           HZ2      TRP   4  -3.468  -1.747   3.280
   41    HZ3  TRP   4           HZ3      TRP   4  -0.588  -2.310   0.193
   42    HH2  TRP   4           HH2      TRP   4  -1.711  -0.872   1.812
   43    H    SER   5           H        SER   5  -1.312  -8.942   1.953
   44    HA   SER   5           HA       SER   5  -1.828 -10.343   4.357
   45    HB2  SER   5           1HB      SER   5   0.260 -10.658   3.106
   46    HB3  SER   5           2HB      SER   5   0.712  -8.984   3.412
   47    HG   SER   5           HG       SER   5   0.274 -10.962   5.411
   48    H    GLU   6           H        GLU   6  -2.658  -9.453   6.124
   49    HA   GLU   6           HA       GLU   6  -3.050  -6.786   6.638
   50    HB2  GLU   6           1HB      GLU   6  -3.765  -7.371   8.774
   51    HB3  GLU   6           2HB      GLU   6  -4.049  -8.811   7.812
   52    HG2  GLU   6           1HG      GLU   6  -1.631  -8.396   9.512
   53    HG3  GLU   6           2HG      GLU   6  -3.090  -9.204  10.080
   54    H    ASN   7           H        ASN   7  -0.214  -8.699   7.476
   55    HA   ASN   7           HA       ASN   7   1.072  -6.751   9.062
   56    HB2  ASN   7           1HB      ASN   7   2.032  -9.116   7.506
   57    HB3  ASN   7           2HB      ASN   7   3.218  -7.965   8.111
   58   HD21  ASN   7          1HD2      ASN   7   0.208  -8.842   9.700
   59   HD22  ASN   7          2HD2      ASN   7   0.945  -9.600  11.068
   60    H    VAL   8           H        VAL   8   0.890  -7.197   5.597
   61    HA   VAL   8           HA       VAL   8   2.880  -5.214   5.011
   62    HB   VAL   8           HB       VAL   8   0.728  -6.301   3.206
   63   HG11  VAL   8          1HG1      VAL   8   3.316  -4.869   2.643
   64   HG12  VAL   8          2HG1      VAL   8   1.680  -4.258   2.379
   65   HG13  VAL   8          3HG1      VAL   8   2.283  -5.611   1.422
   66   HG21  VAL   8          3HG2      VAL   8   2.477  -7.824   2.373
   67   HG22  VAL   8          1HG2      VAL   8   2.051  -8.130   4.055
   68   HG23  VAL   8          2HG2      VAL   8   3.541  -7.275   3.668
   69    H    GLU   9           H        GLU   9  -0.598  -5.355   5.343
   70    HA   GLU   9           HA       GLU   9  -1.363  -2.889   4.349
   71    HB2  GLU   9           1HB      GLU   9  -2.930  -4.628   5.118
   72    HB3  GLU   9           2HB      GLU   9  -2.427  -4.345   6.783
   73    HG2  GLU   9           1HG      GLU   9  -3.346  -2.104   6.706
   74    HG3  GLU   9           2HG      GLU   9  -3.785  -2.329   5.011
   75    H    GLU  10           H        GLU  10  -0.020  -3.716   7.508
   76    HA   GLU  10           HA       GLU  10  -0.068  -1.023   8.479
   77    HB2  GLU  10           1HB      GLU  10  -0.130  -2.919  10.021
   78    HB3  GLU  10           2HB      GLU  10   1.445  -3.457   9.452
   79    HG2  GLU  10           1HG      GLU  10   2.494  -1.488  10.363
   80    HG3  GLU  10           2HG      GLU  10   0.926  -0.826  10.822
   81    H    LYS  11           H        LYS  11   2.393  -3.155   7.071
   82    HA   LYS  11           HA       LYS  11   4.581  -1.426   7.415
   83    HB2  LYS  11           1HB      LYS  11   4.045  -3.757   5.626
   84    HB3  LYS  11           2HB      LYS  11   5.490  -2.790   5.381
   85    HG2  LYS  11           1HG      LYS  11   6.196  -3.237   7.663
   86    HG3  LYS  11           2HG      LYS  11   4.732  -4.180   7.941
   87    HD2  LYS  11           1HD      LYS  11   6.713  -5.582   7.454
   88    HD3  LYS  11           2HD      LYS  11   5.403  -5.804   6.294
   89    HE2  LYS  11           1HE      LYS  11   7.548  -5.698   5.152
   90    HE3  LYS  11           2HE      LYS  11   6.543  -4.316   4.721
   91    HZ1  LYS  11           3HZ      LYS  11   7.804  -2.951   6.267
   92    HZ2  LYS  11           1HZ      LYS  11   8.835  -3.669   5.131
   93    HZ3  LYS  11           2HZ      LYS  11   8.758  -4.283   6.708
   94    H    LEU  12           H        LEU  12   2.172  -1.602   4.835
   95    HA   LEU  12           HA       LEU  12   3.647   0.120   3.093
   96    HB2  LEU  12           1HB      LEU  12   1.798  -1.556   2.458
   97    HB3  LEU  12           2HB      LEU  12   0.676  -0.296   2.951
   98    HG   LEU  12           HG       LEU  12   1.870   1.229   1.331
   99   HD11  LEU  12          1HD1      LEU  12   3.114   0.155  -0.485
  100   HD12  LEU  12          2HD1      LEU  12   3.007  -1.386   0.365
  101   HD13  LEU  12          3HD1      LEU  12   3.913  -0.050   1.075
  102   HD21  LEU  12          3HD2      LEU  12   0.690   0.336  -0.632
  103   HD22  LEU  12          1HD2      LEU  12  -0.310   0.324   0.821
  104   HD23  LEU  12          2HD2      LEU  12   0.420  -1.173   0.239
  105    H    LYS  13           H        LYS  13   1.024   0.570   5.428
  106    HA   LYS  13           HA       LYS  13   0.570   3.295   5.208
  107    HB2  LYS  13           1HB      LYS  13  -0.742   2.222   6.807
  108    HB3  LYS  13           2HB      LYS  13   0.626   1.364   7.497
  109    HG2  LYS  13           1HG      LYS  13   1.226   3.989   8.040
  110    HG3  LYS  13           2HG      LYS  13  -0.531   3.931   8.227
  111    HD2  LYS  13           1HD      LYS  13  -0.359   2.107   9.787
  112    HD3  LYS  13           2HD      LYS  13   1.374   1.974   9.504
  113    HE2  LYS  13           1HE      LYS  13  -0.098   4.220  10.875
  114    HE3  LYS  13           2HE      LYS  13   1.071   3.103  11.579
  115    HZ1  LYS  13           3HZ      LYS  13   1.995   5.302  11.130
  116    HZ2  LYS  13           1HZ      LYS  13   1.704   5.089   9.473
  117    HZ3  LYS  13           2HZ      LYS  13   2.801   4.070  10.285
  118    H    GLU  14           H        GLU  14   3.153   1.573   6.811
  119    HA   GLU  14           HA       GLU  14   4.541   3.820   7.809
  120    HB2  GLU  14           1HB      GLU  14   5.453   1.011   7.180
  121    HB3  GLU  14           2HB      GLU  14   6.384   2.186   8.104
  122    HG2  GLU  14           1HG      GLU  14   3.610   1.399   8.913
  123    HG3  GLU  14           2HG      GLU  14   5.026   0.451   9.395
  124    H    PHE  15           H        PHE  15   5.014   1.812   4.907
  125    HA   PHE  15           HA       PHE  15   7.408   3.238   4.248
  126    HB2  PHE  15           1HB      PHE  15   7.125   0.813   3.876
  127    HB3  PHE  15           2HB      PHE  15   5.878   1.151   2.687
  128    HD1  PHE  15           HD1      PHE  15   9.329   2.445   3.324
  129    HD2  PHE  15           HD2      PHE  15   6.594   0.713   0.558
  130    HE1  PHE  15           HE1      PHE  15  11.058   2.513   1.576
  131    HE2  PHE  15           HE2      PHE  15   8.320   0.785  -1.194
  132    HZ   PHE  15           HZ       PHE  15  10.553   1.683  -0.687
  133    H    VAL  16           H        VAL  16   4.080   3.649   3.455
  134    HA   VAL  16           HA       VAL  16   4.758   5.370   1.184
  135    HB   VAL  16           HB       VAL  16   2.058   4.598   2.310
  136   HG11  VAL  16          1HG1      VAL  16   1.121   5.634   0.290
  137   HG12  VAL  16          2HG1      VAL  16   2.732   6.202  -0.154
  138   HG13  VAL  16          3HG1      VAL  16   1.953   6.811   1.307
  139   HG21  VAL  16          3HG2      VAL  16   3.473   3.749  -0.213
  140   HG22  VAL  16          1HG2      VAL  16   1.833   3.294   0.248
  141   HG23  VAL  16          2HG2      VAL  16   3.203   2.754   1.217
  142    H    LYS  17           H        LYS  17   2.740   5.665   4.108
  143    HA   LYS  17           HA       LYS  17   2.542   8.483   3.857
  144    HB2  LYS  17           1HB      LYS  17   0.796   7.111   4.886
  145    HB3  LYS  17           2HB      LYS  17   1.893   6.665   6.182
  146    HG2  LYS  17           1HG      LYS  17   0.315   8.335   6.929
  147    HG3  LYS  17           2HG      LYS  17   1.952   8.988   6.934
  148    HD2  LYS  17           1HD      LYS  17   1.511  10.485   5.292
  149    HD3  LYS  17           2HD      LYS  17   0.385   9.412   4.464
  150    HE2  LYS  17           1HE      LYS  17  -0.663  11.450   5.455
  151    HE3  LYS  17           2HE      LYS  17  -1.365   9.932   6.007
  152    HZ1  LYS  17           3HZ      LYS  17   0.576  11.622   7.501
  153    HZ2  LYS  17           1HZ      LYS  17  -0.013  10.123   8.030
  154    HZ3  LYS  17           2HZ      LYS  17  -1.071  11.429   7.849
  155    H    ARG  18           H        ARG  18   4.682   6.371   5.658
  156    HA   ARG  18           HA       ARG  18   5.781   8.683   7.080
  157    HB2  ARG  18           1HB      ARG  18   6.277   5.735   7.498
  158    HB3  ARG  18           2HB      ARG  18   6.967   7.022   8.469
  159    HG2  ARG  18           1HG      ARG  18   4.613   7.698   9.048
  160    HG3  ARG  18           2HG      ARG  18   4.084   6.206   8.265
  161    HD2  ARG  18           1HD      ARG  18   4.272   5.834  10.647
  162    HD3  ARG  18           2HD      ARG  18   5.534   4.926   9.808
  163    HE   ARG  18           HE       ARG  18   6.188   7.571  10.898
  164   HH11  ARG  18          1HH1      ARG  18   6.532   4.074  11.109
  165   HH12  ARG  18          2HH1      ARG  18   7.932   4.163  12.135
  166   HH21  ARG  18          1HH2      ARG  18   8.020   7.664  12.244
  167   HH22  ARG  18          2HH2      ARG  18   8.774   6.191  12.781
  168    H    HIS  19           H        HIS  19   6.427   6.891   4.298
  169    HA   HIS  19           HA       HIS  19   9.258   7.645   4.472
  170    HB2  HIS  19           1HB      HIS  19   8.119   5.069   3.410
  171    HB3  HIS  19           2HB      HIS  19   9.738   5.623   3.002
  172    HD1  HIS  19           HD1      HIS  19   7.713   4.420   5.966
  173    HD2  HIS  19           HD2      HIS  19  11.653   5.191   4.894
  174    HE1  HIS  19           HE1      HIS  19   9.152   3.461   7.811
  175    H    GLN  20           H        GLN  20   8.858   9.538   3.342
  176    HA   GLN  20           HA       GLN  20   8.897  10.881   1.537
  177    HB2  GLN  20           1HB      GLN  20  10.291  10.189  -0.308
  178    HB3  GLN  20           2HB      GLN  20  10.981   9.644   1.211
  179    HG2  GLN  20           1HG      GLN  20   9.980   7.413   0.775
  180    HG3  GLN  20           2HG      GLN  20   9.512   7.993  -0.820
  181   HE21  GLN  20          1HE2      GLN  20  11.113   8.394  -2.360
  182   HE22  GLN  20          2HE2      GLN  20  12.711   7.740  -2.211
  183    H    ARG  21           H        ARG  21   6.490   9.037   1.765
  184    HA   ARG  21           HA       ARG  21   4.456   9.026   0.778
  185    HB2  ARG  21           1HB      ARG  21   4.962  11.302  -0.001
  186    HB3  ARG  21           2HB      ARG  21   5.741  10.638  -1.430
  187    HG2  ARG  21           1HG      ARG  21   3.606   9.681  -2.150
  188    HG3  ARG  21           2HG      ARG  21   2.825  10.356  -0.718
  189    HD2  ARG  21           1HD      ARG  21   4.210  11.942  -2.876
  190    HD3  ARG  21           2HD      ARG  21   2.467  11.748  -2.707
  191    HE   ARG  21           HE       ARG  21   2.679  12.921  -0.541
  192   HH11  ARG  21          1HH1      ARG  21   5.219  13.276  -2.927
  193   HH12  ARG  21          2HH1      ARG  21   5.716  14.842  -2.364
  194   HH21  ARG  21          1HH2      ARG  21   3.332  14.981   0.222
  195   HH22  ARG  21          2HH2      ARG  21   4.666  15.801  -0.546
  196    H    ILE  22           H        ILE  22   7.245   7.942  -0.862
  197    HA   ILE  22           HA       ILE  22   7.718   6.167  -2.157
  198    HB   ILE  22           HB       ILE  22   5.630   5.262  -0.618
  199   HG12  ILE  22          1HG1      ILE  22   7.623   3.969  -0.939
  200   HG13  ILE  22          2HG1      ILE  22   6.255   2.968  -1.397
  201   HG21  ILE  22          1HG2      ILE  22   4.172   3.910  -2.042
  202   HG22  ILE  22          2HG2      ILE  22   4.897   4.646  -3.475
  203   HG23  ILE  22          3HG2      ILE  22   3.978   5.638  -2.341
  204   HD11  ILE  22          3HD1      ILE  22   8.365   4.164  -3.134
  205   HD12  ILE  22          1HD1      ILE  22   6.801   3.676  -3.790
  206   HD13  ILE  22          2HD1      ILE  22   7.833   2.494  -2.990
  207    H    THR  23           H        THR  23   7.372   5.234  -4.288
  208    HA   THR  23           HA       THR  23   5.491   6.728  -5.968
  209    HB   THR  23           HB       THR  23   7.029   6.021  -7.874
  210    HG1  THR  23           HG1      THR  23   9.293   5.750  -6.848
  211   HG21  THR  23          3HG2      THR  23   8.656   7.816  -7.454
  212   HG22  THR  23          1HG2      THR  23   8.163   7.863  -5.762
  213   HG23  THR  23          2HG2      THR  23   7.019   8.315  -7.027
  214    H    GLN  24           H        GLN  24   4.642   5.391  -7.843
  215    HA   GLN  24           HA       GLN  24   3.352   3.121  -6.842
  216    HB2  GLN  24           1HB      GLN  24   2.474   4.465  -8.702
  217    HB3  GLN  24           2HB      GLN  24   3.784   3.897  -9.730
  218    HG2  GLN  24           1HG      GLN  24   2.927   1.565  -9.353
  219    HG3  GLN  24           2HG      GLN  24   1.520   2.293  -8.581
  220   HE21  GLN  24          1HE2      GLN  24   0.019   3.396  -9.830
  221   HE22  GLN  24          2HE2      GLN  24  -0.008   3.276 -11.561
  222    H    GLU  25           H        GLU  25   6.294   3.425  -8.738
  223    HA   GLU  25           HA       GLU  25   6.644   0.855  -9.681
  224    HB2  GLU  25           1HB      GLU  25   8.107   2.701 -10.297
  225    HB3  GLU  25           2HB      GLU  25   8.736   2.785  -8.658
  226    HG2  GLU  25           1HG      GLU  25  10.325   1.701 -10.108
  227    HG3  GLU  25           2HG      GLU  25   9.709   0.551  -8.924
  228    H    GLU  26           H        GLU  26   8.183   2.088  -6.702
  229    HA   GLU  26           HA       GLU  26   9.075  -0.477  -5.920
  230    HB2  GLU  26           1HB      GLU  26  10.129   1.664  -5.228
  231    HB3  GLU  26           2HB      GLU  26   8.745   1.979  -4.193
  232    HG2  GLU  26           1HG      GLU  26  10.543   1.139  -2.865
  233    HG3  GLU  26           2HG      GLU  26   9.267  -0.076  -2.932
  234    H    LEU  27           H        LEU  27   6.307   1.505  -4.897
  235    HA   LEU  27           HA       LEU  27   5.217  -0.055  -2.934
  236    HB2  LEU  27           1HB      LEU  27   4.383   2.145  -3.819
  237    HB3  LEU  27           2HB      LEU  27   3.633   1.270  -5.136
  238    HG   LEU  27           HG       LEU  27   2.929   0.578  -2.295
  239   HD11  LEU  27          1HD1      LEU  27   2.697   2.997  -2.455
  240   HD12  LEU  27          2HD1      LEU  27   1.118   2.212  -2.381
  241   HD13  LEU  27          3HD1      LEU  27   1.735   2.817  -3.920
  242   HD21  LEU  27          3HD2      LEU  27   2.123  -0.878  -4.096
  243   HD22  LEU  27          1HD2      LEU  27   1.390   0.514  -4.895
  244   HD23  LEU  27          2HD2      LEU  27   0.788  -0.019  -3.326
  245    H    HIS  28           H        HIS  28   4.709  -0.488  -6.460
  246    HA   HIS  28           HA       HIS  28   2.991  -2.745  -6.032
  247    HB2  HIS  28           1HB      HIS  28   3.043  -1.131  -8.067
  248    HB3  HIS  28           2HB      HIS  28   4.343  -2.163  -8.655
  249    HD1  HIS  28           HD1      HIS  28   3.513  -4.906  -8.548
  250    HD2  HIS  28           HD2      HIS  28   0.658  -1.916  -8.974
  251    HE1  HIS  28           HE1      HIS  28   1.439  -6.029  -9.445
  252    H    GLN  29           H        GLN  29   6.404  -2.282  -6.665
  253    HA   GLN  29           HA       GLN  29   7.033  -5.003  -7.179
  254    HB2  GLN  29           1HB      GLN  29   8.494  -2.965  -7.631
  255    HB3  GLN  29           2HB      GLN  29   8.859  -2.957  -5.911
  256    HG2  GLN  29           1HG      GLN  29  10.615  -4.049  -7.189
  257    HG3  GLN  29           2HG      GLN  29   9.830  -5.177  -6.086
  258   HE21  GLN  29          1HE2      GLN  29   8.612  -6.847  -6.897
  259   HE22  GLN  29          2HE2      GLN  29   8.619  -7.290  -8.571
  260    H    TYR  30           H        TYR  30   6.783  -3.021  -4.313
  261    HA   TYR  30           HA       TYR  30   7.645  -4.837  -2.358
  262    HB2  TYR  30           1HB      TYR  30   6.834  -2.254  -2.378
  263    HB3  TYR  30           2HB      TYR  30   5.388  -3.009  -1.730
  264    HD1  TYR  30           HD1      TYR  30   8.909  -4.012  -1.076
  265    HD2  TYR  30           HD2      TYR  30   5.389  -2.182   0.458
  266    HE1  TYR  30           HE1      TYR  30   9.924  -3.948   1.163
  267    HE2  TYR  30           HE2      TYR  30   6.394  -2.108   2.700
  268    HH   TYR  30           HH       TYR  30   9.693  -2.622   3.247
  269    H    ALA  31           H        ALA  31   4.624  -4.469  -4.091
  270    HA   ALA  31           HA       ALA  31   2.910  -5.923  -2.426
  271    HB1  ALA  31           3HB      ALA  31   2.749  -5.745  -5.432
  272    HB2  ALA  31           1HB      ALA  31   2.179  -4.502  -4.323
  273    HB3  ALA  31           2HB      ALA  31   1.426  -6.097  -4.320
  274    H    GLN  32           H        GLN  32   4.540  -7.056  -5.382
  275    HA   GLN  32           HA       GLN  32   3.672  -9.749  -4.924
  276    HB2  GLN  32           1HB      GLN  32   5.755  -8.743  -6.871
  277    HB3  GLN  32           2HB      GLN  32   4.938 -10.299  -6.924
  278    HG2  GLN  32           1HG      GLN  32   2.798  -9.147  -7.275
  279    HG3  GLN  32           2HG      GLN  32   3.642  -7.604  -7.276
  280   HE21  GLN  32          1HE2      GLN  32   4.847 -10.562  -8.738
  281   HE22  GLN  32          2HE2      GLN  32   4.752 -10.006 -10.373
  282    H    ARG  33           H        ARG  33   6.206  -7.910  -3.702
  283    HA   ARG  33           HA       ARG  33   8.017 -10.120  -3.267
  284    HB2  ARG  33           1HB      ARG  33   8.740  -7.715  -3.571
  285    HB3  ARG  33           2HB      ARG  33   8.076  -7.391  -1.977
  286    HG2  ARG  33           1HG      ARG  33   9.628  -9.105  -1.052
  287    HG3  ARG  33           2HG      ARG  33  10.357  -9.229  -2.656
  288    HD2  ARG  33           1HD      ARG  33  10.271  -6.812  -0.859
  289    HD3  ARG  33           2HD      ARG  33  11.690  -7.736  -1.350
  290    HE   ARG  33           HE       ARG  33  10.876  -6.928  -3.714
  291   HH11  ARG  33          1HH1      ARG  33  11.127  -5.148  -0.719
  292   HH12  ARG  33          2HH1      ARG  33  11.281  -3.601  -1.496
  293   HH21  ARG  33          1HH2      ARG  33  11.089  -4.900  -4.750
  294   HH22  ARG  33          2HH2      ARG  33  11.208  -3.445  -3.797
  295    H    LEU  34           H        LEU  34   5.577  -8.325  -1.457
  296    HA   LEU  34           HA       LEU  34   6.235  -9.818   0.967
  297    HB2  LEU  34           1HB      LEU  34   4.330  -7.519   0.557
  298    HB3  LEU  34           2HB      LEU  34   4.699  -8.264   2.101
  299    HG   LEU  34           HG       LEU  34   6.544  -6.641   0.361
  300   HD11  LEU  34          1HD1      LEU  34   6.645  -5.147   2.222
  301   HD12  LEU  34          2HD1      LEU  34   5.667  -6.234   3.203
  302   HD13  LEU  34          3HD1      LEU  34   4.954  -5.426   1.807
  303   HD21  LEU  34          3HD2      LEU  34   8.267  -7.042   2.058
  304   HD22  LEU  34          1HD2      LEU  34   7.801  -8.523   1.221
  305   HD23  LEU  34          2HD2      LEU  34   7.202  -8.204   2.850
  306    H    GLY  35           H        GLY  35   3.761  -9.646  -1.475
  307    HA2  GLY  35           1HA      GLY  35   2.516 -11.776  -1.698
  308    HA3  GLY  35           2HA      GLY  35   2.265 -11.703   0.039
  309    H    LEU  36           H        LEU  36   1.956  -9.110  -2.362
  310    HA   LEU  36           HA       LEU  36  -0.823  -8.785  -1.439
  311    HB2  LEU  36           1HB      LEU  36   0.756  -6.671  -2.858
  312    HB3  LEU  36           2HB      LEU  36  -0.697  -6.493  -1.898
  313    HG   LEU  36           HG       LEU  36   2.081  -7.047  -0.866
  314   HD11  LEU  36          1HD1      LEU  36   1.589  -4.734  -1.551
  315   HD12  LEU  36          2HD1      LEU  36   1.830  -4.884   0.188
  316   HD13  LEU  36          3HD1      LEU  36   0.200  -4.725  -0.466
  317   HD21  LEU  36          3HD2      LEU  36   0.580  -8.336   0.470
  318   HD22  LEU  36          1HD2      LEU  36  -0.571  -7.006   0.569
  319   HD23  LEU  36          2HD2      LEU  36   0.990  -6.880   1.376
  320    H    ASN  37           H        ASN  37  -2.086  -7.487  -3.083
  321    HA   ASN  37           HA       ASN  37  -1.553  -8.291  -5.828
  322    HB2  ASN  37           1HB      ASN  37  -4.071  -8.766  -6.044
  323    HB3  ASN  37           2HB      ASN  37  -3.082  -9.988  -5.258
  324   HD21  ASN  37          1HD2      ASN  37  -4.001  -7.001  -3.665
  325   HD22  ASN  37          2HD2      ASN  37  -5.075  -7.738  -2.514
  326    H    GLU  38           H        GLU  38  -2.445  -6.958  -7.364
  327    HA   GLU  38           HA       GLU  38  -2.586  -4.277  -7.123
  328    HB2  GLU  38           1HB      GLU  38  -4.133  -4.334  -9.136
  329    HB3  GLU  38           2HB      GLU  38  -2.609  -5.205  -9.279
  330    HG2  GLU  38           1HG      GLU  38  -3.655  -7.287  -8.995
  331    HG3  GLU  38           2HG      GLU  38  -5.161  -6.542  -8.463
  332    H    GLU  39           H        GLU  39  -5.103  -6.453  -6.131
  333    HA   GLU  39           HA       GLU  39  -7.381  -4.927  -6.040
  334    HB2  GLU  39           1HB      GLU  39  -7.433  -7.238  -5.415
  335    HB3  GLU  39           2HB      GLU  39  -6.268  -6.984  -4.126
  336    HG2  GLU  39           1HG      GLU  39  -8.395  -7.281  -3.131
  337    HG3  GLU  39           2HG      GLU  39  -7.969  -5.577  -2.968
  338    H    ALA  40           H        ALA  40  -4.933  -5.254  -3.517
  339    HA   ALA  40           HA       ALA  40  -6.131  -3.204  -1.902
  340    HB1  ALA  40           3HB      ALA  40  -3.514  -4.662  -1.580
  341    HB2  ALA  40           1HB      ALA  40  -5.063  -5.152  -0.895
  342    HB3  ALA  40           2HB      ALA  40  -4.297  -3.654  -0.363
  343    H    ILE  41           H        ILE  41  -3.803  -3.356  -4.389
  344    HA   ILE  41           HA       ILE  41  -2.120  -1.220  -3.709
  345    HB   ILE  41           HB       ILE  41  -2.909  -2.119  -6.474
  346   HG12  ILE  41          1HG1      ILE  41  -1.982  -3.905  -4.948
  347   HG13  ILE  41          2HG1      ILE  41  -1.080  -3.634  -6.438
  348   HG21  ILE  41          1HG2      ILE  41  -1.847   0.058  -6.493
  349   HG22  ILE  41          2HG2      ILE  41  -0.769  -1.158  -7.178
  350   HG23  ILE  41          3HG2      ILE  41  -0.505  -0.569  -5.535
  351   HD11  ILE  41          3HD1      ILE  41   0.411  -3.950  -4.629
  352   HD12  ILE  41          1HD1      ILE  41  -0.367  -2.677  -3.696
  353   HD13  ILE  41          2HD1      ILE  41   0.509  -2.277  -5.173
  354    H    ARG  42           H        ARG  42  -4.827  -1.230  -6.052
  355    HA   ARG  42           HA       ARG  42  -4.886   1.597  -6.285
  356    HB2  ARG  42           1HB      ARG  42  -5.843   0.029  -7.984
  357    HB3  ARG  42           2HB      ARG  42  -7.145  -0.333  -6.856
  358    HG2  ARG  42           1HG      ARG  42  -7.586   2.190  -6.860
  359    HG3  ARG  42           2HG      ARG  42  -6.562   2.226  -8.294
  360    HD2  ARG  42           1HD      ARG  42  -8.684   2.016  -9.191
  361    HD3  ARG  42           2HD      ARG  42  -8.111   0.350  -9.160
  362    HE   ARG  42           HE       ARG  42  -9.522   1.015  -6.767
  363   HH11  ARG  42          1HH1      ARG  42  -9.966   0.125 -10.128
  364   HH12  ARG  42          2HH1      ARG  42 -11.571  -0.499  -9.875
  365   HH21  ARG  42          1HH2      ARG  42 -11.626   0.249  -6.433
  366   HH22  ARG  42          2HH2      ARG  42 -12.536  -0.402  -7.767
  367    H    GLN  43           H        GLN  43  -6.499  -0.712  -4.222
  368    HA   GLN  43           HA       GLN  43  -8.558   0.889  -3.233
  369    HB2  GLN  43           1HB      GLN  43  -8.077  -1.645  -2.899
  370    HB3  GLN  43           2HB      GLN  43  -7.123  -1.115  -1.518
  371    HG2  GLN  43           1HG      GLN  43  -9.198   0.120  -0.740
  372    HG3  GLN  43           2HG      GLN  43 -10.073  -0.807  -1.958
  373   HE21  GLN  43          1HE2      GLN  43  -7.345  -1.994  -0.117
  374   HE22  GLN  43          2HE2      GLN  43  -8.226  -3.152   0.812
  375    H    PHE  44           H        PHE  44  -5.192   0.554  -2.221
  376    HA   PHE  44           HA       PHE  44  -5.431   2.117   0.144
  377    HB2  PHE  44           1HB      PHE  44  -3.569   0.434  -0.667
  378    HB3  PHE  44           2HB      PHE  44  -2.849   1.882  -1.356
  379    HD1  PHE  44           HD1      PHE  44  -4.244   0.598   1.849
  380    HD2  PHE  44           HD2      PHE  44  -1.405   3.135  -0.053
  381    HE1  PHE  44           HE1      PHE  44  -3.229   1.093   4.035
  382    HE2  PHE  44           HE2      PHE  44  -0.381   3.630   2.134
  383    HZ   PHE  44           HZ       PHE  44  -1.296   2.605   4.181
  384    H    PHE  45           H        PHE  45  -4.835   2.854  -3.219
  385    HA   PHE  45           HA       PHE  45  -4.066   5.583  -2.717
  386    HB2  PHE  45           1HB      PHE  45  -4.687   4.032  -5.221
  387    HB3  PHE  45           2HB      PHE  45  -4.438   5.773  -5.258
  388    HD1  PHE  45           HD1      PHE  45  -2.227   6.612  -4.162
  389    HD2  PHE  45           HD2      PHE  45  -2.886   2.627  -5.500
  390    HE1  PHE  45           HE1      PHE  45   0.204   6.273  -4.332
  391    HE2  PHE  45           HE2      PHE  45  -0.456   2.280  -5.673
  392    HZ   PHE  45           HZ       PHE  45   1.092   4.105  -5.089
  393    H    GLU  46           H        GLU  46  -6.975   3.933  -3.915
  394    HA   GLU  46           HA       GLU  46  -8.361   6.395  -4.409
  395    HB2  GLU  46           1HB      GLU  46 -10.123   5.075  -5.214
  396    HB3  GLU  46           2HB      GLU  46  -8.690   4.127  -5.572
  397    HG2  GLU  46           1HG      GLU  46  -9.113   2.763  -3.571
  398    HG3  GLU  46           2HG      GLU  46 -10.589   3.684  -3.285
  399    H    GLU  47           H        GLU  47  -8.330   3.993  -1.855
  400    HA   GLU  47           HA       GLU  47 -10.228   5.645  -0.346
  401    HB2  GLU  47           1HB      GLU  47 -10.775   3.206  -0.901
  402    HB3  GLU  47           2HB      GLU  47  -9.564   2.821   0.305
  403    HG2  GLU  47           1HG      GLU  47 -10.812   4.034   1.996
  404    HG3  GLU  47           2HG      GLU  47 -12.022   4.472   0.791
  405    H    PHE  48           H        PHE  48  -7.596   6.463  -0.486
  406    HA   PHE  48           HA       PHE  48  -6.092   5.676   1.780
  407    HB2  PHE  48           1HB      PHE  48  -5.430   7.181  -0.289
  408    HB3  PHE  48           2HB      PHE  48  -6.013   8.484   0.738
  409    HD1  PHE  48           HD1      PHE  48  -3.702   5.572   0.832
  410    HD2  PHE  48           HD2      PHE  48  -4.546   9.519   2.176
  411    HE1  PHE  48           HE1      PHE  48  -1.523   5.646   1.966
  412    HE2  PHE  48           HE2      PHE  48  -2.365   9.601   3.315
  413    HZ   PHE  48           HZ       PHE  48  -0.853   7.658   3.210
  414    H    GLU  49           H        GLU  49  -5.696   7.184   3.651
  415    HA   GLU  49           HA       GLU  49  -8.075   7.495   5.098
  416    HB2  GLU  49           1HB      GLU  49  -6.680   8.535   6.818
  417    HB3  GLU  49           2HB      GLU  49  -5.906   7.103   6.153
  418    HG2  GLU  49           1HG      GLU  49  -4.426   8.450   4.824
  419    HG3  GLU  49           2HG      GLU  49  -5.258   9.921   5.323
  420    H    GLN  50           H        GLN  50  -6.391   9.696   3.007
  421    HA   GLN  50           HA       GLN  50  -7.953  11.953   4.045
  422    HB2  GLN  50           1HB      GLN  50  -5.635  12.045   2.115
  423    HB3  GLN  50           2HB      GLN  50  -6.365  13.402   2.962
  424    HG2  GLN  50           1HG      GLN  50  -5.583  12.490   5.089
  425    HG3  GLN  50           2HG      GLN  50  -4.852  11.134   4.232
  426   HE21  GLN  50          1HE2      GLN  50  -4.022  12.855   1.987
  427   HE22  GLN  50          2HE2      GLN  50  -2.656  13.740   2.571
  428    H    ARG  51           H        ARG  51  -8.314   9.668   1.743
  429    HA   ARG  51           HA       ARG  51  -9.324  11.548  -0.274
  430    HB2  ARG  51           1HB      ARG  51  -7.759   9.151  -0.477
  431    HB3  ARG  51           2HB      ARG  51  -9.264   8.954  -1.369
  432    HG2  ARG  51           1HG      ARG  51  -8.785  11.089  -2.533
  433    HG3  ARG  51           2HG      ARG  51  -7.223  11.131  -1.713
  434    HD2  ARG  51           1HD      ARG  51  -6.522   9.126  -2.786
  435    HD3  ARG  51           2HD      ARG  51  -8.134   8.841  -3.438
  436    HE   ARG  51           HE       ARG  51  -7.447  11.244  -4.490
  437   HH11  ARG  51          1HH1      ARG  51  -5.853   8.133  -4.379
  438   HH12  ARG  51          2HH1      ARG  51  -5.057   8.347  -5.908
  439   HH21  ARG  51          1HH2      ARG  51  -6.458  11.508  -6.520
  440   HH22  ARG  51          2HH2      ARG  51  -5.433  10.245  -7.155
  441    H    LYS  52           H        LYS  52 -10.772  10.770   2.090
  442    HA   LYS  52           HA       LYS  52 -13.209   9.999   0.726
  443    HB2  LYS  52           1HB      LYS  52 -12.095   8.521   3.113
  444    HB3  LYS  52           2HB      LYS  52 -13.803   8.484   2.709
  445    HG2  LYS  52           1HG      LYS  52 -11.753   7.695   0.678
  446    HG3  LYS  52           2HG      LYS  52 -12.269   6.562   1.925
  447    HD2  LYS  52           1HD      LYS  52 -14.602   6.838   1.195
  448    HD3  LYS  52           2HD      LYS  52 -14.072   7.940  -0.073
  449    HE2  LYS  52           1HE      LYS  52 -13.175   5.080   0.187
  450    HE3  LYS  52           2HE      LYS  52 -14.489   5.623  -0.853
  451    HZ1  LYS  52           3HZ      LYS  52 -11.694   6.591  -1.066
  452    HZ2  LYS  52           1HZ      LYS  52 -12.968   6.929  -2.128
  453    HZ3  LYS  52           2HZ      LYS  52 -12.350   5.358  -2.015
  Start of MODEL   15
    1    H1   MET   1           1H       MET   1 -12.305 -12.752   3.314
    2    H2   MET   1           2H       MET   1 -10.744 -13.385   3.090
    3    H3   MET   1           3H       MET   1 -11.039 -11.742   2.798
    4    HA   MET   1           HA       MET   1 -11.510 -11.369   5.119
    5    HB2  MET   1           1HB      MET   1 -12.389 -13.626   5.602
    6    HB3  MET   1           2HB      MET   1 -10.770 -14.291   5.431
    7    HG2  MET   1           1HG      MET   1 -10.007 -13.089   7.357
    8    HG3  MET   1           2HG      MET   1 -11.544 -12.233   7.485
    9    HE1  MET   1           3HE      MET   1 -11.788 -12.911  10.052
   10    HE2  MET   1           1HE      MET   1 -10.217 -13.707   9.940
   11    HE3  MET   1           2HE      MET   1 -11.591 -14.567  10.634
   12    H    LYS   2           H        LYS   2  -9.772 -10.022   5.358
   13    HA   LYS   2           HA       LYS   2  -7.645  -9.199   5.220
   14    HB2  LYS   2           1HB      LYS   2  -6.865 -12.052   5.878
   15    HB3  LYS   2           2HB      LYS   2  -5.758 -10.684   5.866
   16    HG2  LYS   2           1HG      LYS   2  -7.097  -9.614   7.626
   17    HG3  LYS   2           2HG      LYS   2  -8.148 -11.028   7.665
   18    HD2  LYS   2           1HD      LYS   2  -6.241 -12.425   8.303
   19    HD3  LYS   2           2HD      LYS   2  -5.194 -11.006   8.271
   20    HE2  LYS   2           1HE      LYS   2  -6.567  -9.973  10.028
   21    HE3  LYS   2           2HE      LYS   2  -7.578 -11.416  10.073
   22    HZ1  LYS   2           3HZ      LYS   2  -5.933 -11.426  11.837
   23    HZ2  LYS   2           1HZ      LYS   2  -4.675 -11.318  10.706
   24    HZ3  LYS   2           2HZ      LYS   2  -5.656 -12.708  10.759
   25    H    GLN   3           H        GLN   3  -7.463  -8.564   3.193
   26    HA   GLN   3           HA       GLN   3  -7.395 -10.530   1.039
   27    HB2  GLN   3           1HB      GLN   3  -7.497  -7.507   0.874
   28    HB3  GLN   3           2HB      GLN   3  -7.725  -8.625  -0.462
   29    HG2  GLN   3           1HG      GLN   3  -9.539  -8.275   1.916
   30    HG3  GLN   3           2HG      GLN   3  -9.847  -7.760   0.258
   31   HE21  GLN   3          1HE2      GLN   3 -10.344  -9.288  -1.299
   32   HE22  GLN   3          2HE2      GLN   3 -10.885 -10.881  -0.874
   33    H    TRP   4           H        TRP   4  -5.535  -7.822   2.263
   34    HA   TRP   4           HA       TRP   4  -3.172  -8.623   0.794
   35    HB2  TRP   4           1HB      TRP   4  -2.261  -6.750   2.495
   36    HB3  TRP   4           2HB      TRP   4  -3.065  -6.349   0.994
   37    HD1  TRP   4           HD1      TRP   4  -4.664  -4.406   1.334
   38    HE1  TRP   4           HE1      TRP   4  -6.321  -3.654   3.150
   39    HE3  TRP   4           HE3      TRP   4  -3.756  -8.040   4.753
   40    HZ2  TRP   4           HZ2      TRP   4  -7.128  -4.504   5.729
   41    HZ3  TRP   4           HZ3      TRP   4  -5.001  -8.019   6.885
   42    HH2  TRP   4           HH2      TRP   4  -6.650  -6.281   7.360
   43    H    SER   5           H        SER   5  -1.106  -8.828   2.212
   44    HA   SER   5           HA       SER   5  -1.594 -10.508   4.489
   45    HB2  SER   5           1HB      SER   5   0.984  -9.214   3.572
   46    HB3  SER   5           2HB      SER   5   0.838 -10.536   4.731
   47    HG   SER   5           HG       SER   5   0.168 -11.880   3.107
   48    H    GLU   6           H        GLU   6  -2.267  -9.680   6.351
   49    HA   GLU   6           HA       GLU   6  -2.579  -7.114   7.115
   50    HB2  GLU   6           1HB      GLU   6  -2.562  -7.852   9.449
   51    HB3  GLU   6           2HB      GLU   6  -3.454  -8.950   8.405
   52    HG2  GLU   6           1HG      GLU   6  -1.282 -10.274   8.291
   53    HG3  GLU   6           2HG      GLU   6  -0.785  -9.330   9.691
   54    H    ASN   7           H        ASN   7   0.458  -8.844   7.366
   55    HA   ASN   7           HA       ASN   7   1.834  -6.929   8.935
   56    HB2  ASN   7           1HB      ASN   7   2.854  -8.965   6.949
   57    HB3  ASN   7           2HB      ASN   7   3.888  -8.029   8.025
   58   HD21  ASN   7          1HD2      ASN   7   3.477 -10.914   7.810
   59   HD22  ASN   7          2HD2      ASN   7   2.977 -11.438   9.387
   60    H    VAL   8           H        VAL   8   1.446  -7.411   5.479
   61    HA   VAL   8           HA       VAL   8   3.189  -5.359   4.619
   62    HB   VAL   8           HB       VAL   8   0.745  -6.397   3.179
   63   HG11  VAL   8          1HG1      VAL   8   3.195  -4.902   2.275
   64   HG12  VAL   8          2HG1      VAL   8   1.507  -4.394   2.177
   65   HG13  VAL   8          3HG1      VAL   8   2.091  -5.721   1.176
   66   HG21  VAL   8          3HG2      VAL   8   2.241  -7.960   2.054
   67   HG22  VAL   8          1HG2      VAL   8   2.212  -8.247   3.795
   68   HG23  VAL   8          2HG2      VAL   8   3.585  -7.412   3.062
   69    H    GLU   9           H        GLU   9  -0.331  -5.509   4.992
   70    HA   GLU   9           HA       GLU   9  -0.995  -2.951   4.187
   71    HB2  GLU   9           1HB      GLU   9  -2.642  -4.668   4.605
   72    HB3  GLU   9           2HB      GLU   9  -2.231  -4.707   6.314
   73    HG2  GLU   9           1HG      GLU   9  -3.156  -2.125   5.199
   74    HG3  GLU   9           2HG      GLU   9  -4.346  -3.416   5.347
   75    H    GLU  10           H        GLU  10   0.028  -4.088   7.351
   76    HA   GLU  10           HA       GLU  10  -0.195  -1.633   8.714
   77    HB2  GLU  10           1HB      GLU  10  -0.043  -3.563  10.053
   78    HB3  GLU  10           2HB      GLU  10   1.375  -4.153   9.195
   79    HG2  GLU  10           1HG      GLU  10   2.743  -2.451  10.171
   80    HG3  GLU  10           2HG      GLU  10   1.339  -1.697  10.926
   81    H    LYS  11           H        LYS  11   2.605  -3.219   7.168
   82    HA   LYS  11           HA       LYS  11   4.298  -1.016   7.942
   83    HB2  LYS  11           1HB      LYS  11   5.013  -3.409   7.990
   84    HB3  LYS  11           2HB      LYS  11   5.031  -3.382   6.228
   85    HG2  LYS  11           1HG      LYS  11   6.796  -1.831   6.167
   86    HG3  LYS  11           2HG      LYS  11   6.613  -1.431   7.872
   87    HD2  LYS  11           1HD      LYS  11   7.476  -4.119   6.818
   88    HD3  LYS  11           2HD      LYS  11   8.572  -2.872   7.419
   89    HE2  LYS  11           1HE      LYS  11   6.404  -4.269   8.984
   90    HE3  LYS  11           2HE      LYS  11   8.140  -4.521   9.148
   91    HZ1  LYS  11           3HZ      LYS  11   7.357  -3.087  10.886
   92    HZ2  LYS  11           1HZ      LYS  11   6.651  -2.019   9.777
   93    HZ3  LYS  11           2HZ      LYS  11   8.341  -2.183   9.846
   94    H    LEU  12           H        LEU  12   2.407  -1.786   5.203
   95    HA   LEU  12           HA       LEU  12   3.791  -0.260   3.252
   96    HB2  LEU  12           1HB      LEU  12   1.866  -1.807   2.792
   97    HB3  LEU  12           2HB      LEU  12   0.799  -0.631   3.538
   98    HG   LEU  12           HG       LEU  12   1.583   1.018   1.784
   99   HD11  LEU  12          1HD1      LEU  12   3.612  -0.096   1.102
  100   HD12  LEU  12          2HD1      LEU  12   2.512   0.042  -0.272
  101   HD13  LEU  12          3HD1      LEU  12   2.693  -1.501   0.564
  102   HD21  LEU  12          3HD2      LEU  12   0.086  -1.459   0.949
  103   HD22  LEU  12          1HD2      LEU  12   0.120   0.051   0.035
  104   HD23  LEU  12          2HD2      LEU  12  -0.593   0.009   1.647
  105    H    LYS  13           H        LYS  13   1.184   0.479   5.505
  106    HA   LYS  13           HA       LYS  13   0.921   3.206   5.245
  107    HB2  LYS  13           1HB      LYS  13  -0.530   2.091   6.719
  108    HB3  LYS  13           2HB      LYS  13   0.792   1.324   7.583
  109    HG2  LYS  13           1HG      LYS  13   1.413   3.648   8.394
  110    HG3  LYS  13           2HG      LYS  13  -0.165   4.161   7.782
  111    HD2  LYS  13           1HD      LYS  13  -1.302   2.615   9.216
  112    HD3  LYS  13           2HD      LYS  13   0.221   1.874   9.709
  113    HE2  LYS  13           1HE      LYS  13   0.884   4.025  10.739
  114    HE3  LYS  13           2HE      LYS  13  -0.702   4.681  10.323
  115    HZ1  LYS  13           3HZ      LYS  13  -0.218   2.334  12.077
  116    HZ2  LYS  13           1HZ      LYS  13  -1.732   3.001  11.712
  117    HZ3  LYS  13           2HZ      LYS  13  -0.601   3.890  12.616
  118    H    GLU  14           H        GLU  14   3.290   1.373   7.114
  119    HA   GLU  14           HA       GLU  14   4.584   3.621   8.238
  120    HB2  GLU  14           1HB      GLU  14   5.638   0.820   7.821
  121    HB3  GLU  14           2HB      GLU  14   6.353   2.041   8.865
  122    HG2  GLU  14           1HG      GLU  14   4.276   2.077  10.192
  123    HG3  GLU  14           2HG      GLU  14   3.649   0.767   9.186
  124    H    PHE  15           H        PHE  15   5.402   1.568   5.445
  125    HA   PHE  15           HA       PHE  15   7.902   2.807   4.985
  126    HB2  PHE  15           1HB      PHE  15   7.308   0.525   4.264
  127    HB3  PHE  15           2HB      PHE  15   6.173   1.199   3.104
  128    HD1  PHE  15           HD1      PHE  15   9.733   1.818   4.045
  129    HD2  PHE  15           HD2      PHE  15   6.917   1.070   0.940
  130    HE1  PHE  15           HE1      PHE  15  11.544   1.919   2.385
  131    HE2  PHE  15           HE2      PHE  15   8.723   1.166  -0.722
  132    HZ   PHE  15           HZ       PHE  15  11.042   1.592  -0.002
  133    H    VAL  16           H        VAL  16   4.669   3.580   3.980
  134    HA   VAL  16           HA       VAL  16   5.629   5.558   2.077
  135    HB   VAL  16           HB       VAL  16   2.806   4.936   2.985
  136   HG11  VAL  16          1HG1      VAL  16   3.782   6.687   0.725
  137   HG12  VAL  16          2HG1      VAL  16   2.998   7.239   2.208
  138   HG13  VAL  16          3HG1      VAL  16   2.099   6.263   1.045
  139   HG21  VAL  16          3HG2      VAL  16   2.567   3.865   0.801
  140   HG22  VAL  16          1HG2      VAL  16   3.828   3.092   1.759
  141   HG23  VAL  16          2HG2      VAL  16   4.264   4.191   0.451
  142    H    LYS  17           H        LYS  17   3.431   5.675   4.902
  143    HA   LYS  17           HA       LYS  17   3.505   8.516   5.008
  144    HB2  LYS  17           1HB      LYS  17   2.517   6.536   7.063
  145    HB3  LYS  17           2HB      LYS  17   2.219   8.266   7.089
  146    HG2  LYS  17           1HG      LYS  17   1.328   6.480   4.842
  147    HG3  LYS  17           2HG      LYS  17   0.334   6.844   6.251
  148    HD2  LYS  17           1HD      LYS  17   1.479   8.909   4.374
  149    HD3  LYS  17           2HD      LYS  17  -0.166   8.278   4.290
  150    HE2  LYS  17           1HE      LYS  17   1.057   9.792   6.594
  151    HE3  LYS  17           2HE      LYS  17  -0.118  10.420   5.442
  152    HZ1  LYS  17           3HZ      LYS  17  -1.263   9.813   7.415
  153    HZ2  LYS  17           1HZ      LYS  17  -0.549   8.276   7.451
  154    HZ3  LYS  17           2HZ      LYS  17  -1.666   8.668   6.237
  155    H    ARG  18           H        ARG  18   5.031   5.983   6.967
  156    HA   ARG  18           HA       ARG  18   6.225   7.981   8.711
  157    HB2  ARG  18           1HB      ARG  18   6.713   5.013   8.828
  158    HB3  ARG  18           2HB      ARG  18   6.843   6.186  10.127
  159    HG2  ARG  18           1HG      ARG  18   4.376   6.485  10.012
  160    HG3  ARG  18           2HG      ARG  18   4.321   5.179   8.835
  161    HD2  ARG  18           1HD      ARG  18   3.808   4.308  11.026
  162    HD3  ARG  18           2HD      ARG  18   5.363   3.678  10.486
  163    HE   ARG  18           HE       ARG  18   5.632   6.049  12.068
  164   HH11  ARG  18          1HH1      ARG  18   5.304   2.551  12.225
  165   HH12  ARG  18          2HH1      ARG  18   5.925   2.445  13.841
  166   HH21  ARG  18          1HH2      ARG  18   6.428   5.905  14.178
  167   HH22  ARG  18          2HH2      ARG  18   6.550   4.360  14.967
  168    H    HIS  19           H        HIS  19   7.032   7.144   5.739
  169    HA   HIS  19           HA       HIS  19   9.904   7.203   6.283
  170    HB2  HIS  19           1HB      HIS  19   8.484   5.055   4.744
  171    HB3  HIS  19           2HB      HIS  19  10.167   5.445   4.412
  172    HD1  HIS  19           HD1      HIS  19   7.962   4.011   7.125
  173    HD2  HIS  19           HD2      HIS  19  11.984   4.471   6.202
  174    HE1  HIS  19           HE1      HIS  19   9.241   2.612   8.802
  175    H    GLN  20           H        GLN  20   9.690   6.270   3.237
  176    HA   GLN  20           HA       GLN  20  10.524   8.854   2.313
  177    HB2  GLN  20           1HB      GLN  20  11.804   6.917   1.711
  178    HB3  GLN  20           2HB      GLN  20  10.388   6.109   1.064
  179    HG2  GLN  20           1HG      GLN  20  11.745   6.842  -0.747
  180    HG3  GLN  20           2HG      GLN  20  10.277   7.812  -0.713
  181   HE21  GLN  20          1HE2      GLN  20  13.713   7.787  -0.165
  182   HE22  GLN  20          2HE2      GLN  20  13.924   9.506  -0.158
  183    H    ARG  21           H        ARG  21   7.572   7.166   2.295
  184    HA   ARG  21           HA       ARG  21   5.576   7.400   1.302
  185    HB2  ARG  21           1HB      ARG  21   6.685   9.896   0.016
  186    HB3  ARG  21           2HB      ARG  21   4.999   9.422   0.101
  187    HG2  ARG  21           1HG      ARG  21   5.191   9.520   2.601
  188    HG3  ARG  21           2HG      ARG  21   6.778  10.255   2.370
  189    HD2  ARG  21           1HD      ARG  21   4.117  11.327   1.454
  190    HD3  ARG  21           2HD      ARG  21   5.171  12.002   2.697
  191    HE   ARG  21           HE       ARG  21   6.737  12.014   0.484
  192   HH11  ARG  21          1HH1      ARG  21   3.540  13.270   1.198
  193   HH12  ARG  21          2HH1      ARG  21   3.642  14.530  -0.001
  194   HH21  ARG  21          1HH2      ARG  21   6.856  13.663  -1.077
  195   HH22  ARG  21          2HH2      ARG  21   5.512  14.741  -1.306
  196    H    ILE  22           H        ILE  22   8.154   8.264  -0.974
  197    HA   ILE  22           HA       ILE  22   9.058   7.199  -2.714
  198    HB   ILE  22           HB       ILE  22   8.961   5.293  -1.075
  199   HG12  ILE  22          1HG1      ILE  22   8.823   4.351  -3.933
  200   HG13  ILE  22          2HG1      ILE  22  10.183   5.293  -3.305
  201   HG21  ILE  22          1HG2      ILE  22   6.579   4.558  -2.732
  202   HG22  ILE  22          2HG2      ILE  22   6.686   4.709  -0.981
  203   HG23  ILE  22          3HG2      ILE  22   7.494   3.373  -1.804
  204   HD11  ILE  22          3HD1      ILE  22  10.579   3.565  -1.625
  205   HD12  ILE  22          1HD1      ILE  22  10.681   2.931  -3.269
  206   HD13  ILE  22          2HD1      ILE  22   9.243   2.628  -2.294
  207    H    THR  23           H        THR  23   8.817   6.609  -4.860
  208    HA   THR  23           HA       THR  23   6.541   7.571  -6.194
  209    HB   THR  23           HB       THR  23   7.642   6.480  -8.213
  210    HG1  THR  23           HG1      THR  23   9.955   5.913  -7.586
  211   HG21  THR  23          3HG2      THR  23   9.318   8.304  -6.481
  212   HG22  THR  23          1HG2      THR  23   8.066   8.810  -7.615
  213   HG23  THR  23          2HG2      THR  23   9.540   8.047  -8.212
  214    H    GLN  24           H        GLN  24   5.014   6.465  -7.490
  215    HA   GLN  24           HA       GLN  24   3.883   4.250  -6.166
  216    HB2  GLN  24           1HB      GLN  24   3.171   5.583  -8.739
  217    HB3  GLN  24           2HB      GLN  24   2.236   4.266  -8.060
  218    HG2  GLN  24           1HG      GLN  24   1.057   5.970  -7.175
  219    HG3  GLN  24           2HG      GLN  24   2.307   5.864  -5.936
  220   HE21  GLN  24          1HE2      GLN  24   0.661   8.126  -6.758
  221   HE22  GLN  24          2HE2      GLN  24   1.759   9.386  -7.214
  222    H    GLU  25           H        GLU  25   5.871   4.481  -9.047
  223    HA   GLU  25           HA       GLU  25   5.339   1.930 -10.103
  224    HB2  GLU  25           1HB      GLU  25   6.601   3.649 -11.331
  225    HB3  GLU  25           2HB      GLU  25   7.928   3.490 -10.185
  226    HG2  GLU  25           1HG      GLU  25   8.234   1.159 -10.878
  227    HG3  GLU  25           2HG      GLU  25   6.925   1.342 -12.043
  228    H    GLU  26           H        GLU  26   8.009   2.983  -8.020
  229    HA   GLU  26           HA       GLU  26   9.044   0.440  -7.453
  230    HB2  GLU  26           1HB      GLU  26  10.236   2.562  -7.052
  231    HB3  GLU  26           2HB      GLU  26   9.092   2.961  -5.784
  232    HG2  GLU  26           1HG      GLU  26  11.089   2.196  -4.762
  233    HG3  GLU  26           2HG      GLU  26   9.857   0.955  -4.541
  234    H    LEU  27           H        LEU  27   6.571   2.402  -5.898
  235    HA   LEU  27           HA       LEU  27   6.146   0.738  -3.669
  236    HB2  LEU  27           1HB      LEU  27   5.435   3.155  -4.033
  237    HB3  LEU  27           2HB      LEU  27   4.079   2.524  -4.934
  238    HG   LEU  27           HG       LEU  27   3.198   1.427  -2.968
  239   HD11  LEU  27          1HD1      LEU  27   4.345   1.929  -0.742
  240   HD12  LEU  27          2HD1      LEU  27   5.780   2.297  -1.698
  241   HD13  LEU  27          3HD1      LEU  27   5.066   0.684  -1.756
  242   HD21  LEU  27          3HD2      LEU  27   2.709   3.382  -1.590
  243   HD22  LEU  27          1HD2      LEU  27   2.646   3.795  -3.302
  244   HD23  LEU  27          2HD2      LEU  27   4.046   4.254  -2.338
  245    H    HIS  28           H        HIS  28   4.922   0.576  -6.946
  246    HA   HIS  28           HA       HIS  28   2.845  -1.309  -6.250
  247    HB2  HIS  28           1HB      HIS  28   3.721   0.052  -8.716
  248    HB3  HIS  28           2HB      HIS  28   3.010  -1.553  -8.930
  249    HD1  HIS  28           HD1      HIS  28   1.847   0.367  -6.033
  250    HD2  HIS  28           HD2      HIS  28   0.651  -0.276  -9.951
  251    HE1  HIS  28           HE1      HIS  28  -0.548   1.050  -6.140
  252    H    GLN  29           H        GLN  29   6.106  -1.490  -7.612
  253    HA   GLN  29           HA       GLN  29   6.154  -4.302  -7.824
  254    HB2  GLN  29           1HB      GLN  29   8.000  -2.851  -8.656
  255    HB3  GLN  29           2HB      GLN  29   8.445  -2.509  -6.987
  256    HG2  GLN  29           1HG      GLN  29   8.552  -5.122  -6.809
  257    HG3  GLN  29           2HG      GLN  29   8.750  -5.018  -8.557
  258   HE21  GLN  29          1HE2      GLN  29   9.890  -2.617  -6.318
  259   HE22  GLN  29          2HE2      GLN  29  11.578  -2.889  -6.578
  260    H    TYR  30           H        TYR  30   6.742  -2.065  -5.180
  261    HA   TYR  30           HA       TYR  30   7.455  -3.890  -3.187
  262    HB2  TYR  30           1HB      TYR  30   7.600  -1.352  -3.129
  263    HB3  TYR  30           2HB      TYR  30   5.882  -1.346  -2.759
  264    HD1  TYR  30           HD1      TYR  30   9.043  -2.919  -1.521
  265    HD2  TYR  30           HD2      TYR  30   5.265  -1.230  -0.535
  266    HE1  TYR  30           HE1      TYR  30   9.573  -3.143   0.870
  267    HE2  TYR  30           HE2      TYR  30   5.782  -1.449   1.856
  268    HH   TYR  30           HH       TYR  30   7.246  -2.805   3.309
  269    H    ALA  31           H        ALA  31   4.248  -2.652  -4.174
  270    HA   ALA  31           HA       ALA  31   2.628  -3.905  -2.346
  271    HB1  ALA  31           3HB      ALA  31   0.918  -3.941  -4.149
  272    HB2  ALA  31           1HB      ALA  31   2.181  -3.524  -5.308
  273    HB3  ALA  31           2HB      ALA  31   1.759  -2.394  -4.020
  274    H    GLN  32           H        GLN  32   3.499  -5.285  -5.527
  275    HA   GLN  32           HA       GLN  32   2.283  -7.778  -4.870
  276    HB2  GLN  32           1HB      GLN  32   2.470  -6.820  -7.179
  277    HB3  GLN  32           2HB      GLN  32   4.183  -7.212  -7.143
  278    HG2  GLN  32           1HG      GLN  32   2.884  -8.894  -8.335
  279    HG3  GLN  32           2HG      GLN  32   3.669  -9.562  -6.904
  280   HE21  GLN  32          1HE2      GLN  32   0.647  -8.672  -8.368
  281   HE22  GLN  32          2HE2      GLN  32  -0.372  -9.477  -7.219
  282    H    ARG  33           H        ARG  33   5.511  -6.492  -4.586
  283    HA   ARG  33           HA       ARG  33   6.927  -8.898  -4.353
  284    HB2  ARG  33           1HB      ARG  33   8.086  -6.787  -4.607
  285    HB3  ARG  33           2HB      ARG  33   7.428  -6.196  -3.091
  286    HG2  ARG  33           1HG      ARG  33   9.678  -6.777  -2.682
  287    HG3  ARG  33           2HG      ARG  33   8.693  -8.035  -1.938
  288    HD2  ARG  33           1HD      ARG  33  10.594  -9.002  -3.094
  289    HD3  ARG  33           2HD      ARG  33   9.095  -9.484  -3.878
  290    HE   ARG  33           HE       ARG  33  10.234  -7.156  -5.069
  291   HH11  ARG  33          1HH1      ARG  33  10.319 -10.650  -5.014
  292   HH12  ARG  33          2HH1      ARG  33  11.171 -10.786  -6.524
  293   HH21  ARG  33          1HH2      ARG  33  11.327  -7.321  -7.077
  294   HH22  ARG  33          2HH2      ARG  33  11.743  -8.890  -7.703
  295    H    LEU  34           H        LEU  34   5.060  -7.055  -2.002
  296    HA   LEU  34           HA       LEU  34   5.871  -8.851   0.139
  297    HB2  LEU  34           1HB      LEU  34   4.205  -6.355   0.080
  298    HB3  LEU  34           2HB      LEU  34   4.385  -7.335   1.517
  299    HG   LEU  34           HG       LEU  34   6.563  -5.848   0.060
  300   HD11  LEU  34          1HD1      LEU  34   6.722  -4.591   2.141
  301   HD12  LEU  34          2HD1      LEU  34   5.394  -5.534   2.818
  302   HD13  LEU  34          3HD1      LEU  34   5.107  -4.466   1.443
  303   HD21  LEU  34          3HD2      LEU  34   6.771  -7.636   2.480
  304   HD22  LEU  34          1HD2      LEU  34   8.066  -6.643   1.809
  305   HD23  LEU  34          2HD2      LEU  34   7.412  -7.987   0.876
  306    H    GLY  35           H        GLY  35   3.135  -8.300  -1.953
  307    HA2  GLY  35           1HA      GLY  35   1.811 -10.381  -2.264
  308    HA3  GLY  35           2HA      GLY  35   1.769 -10.493  -0.513
  309    H    LEU  36           H        LEU  36   1.258  -7.550  -2.425
  310    HA   LEU  36           HA       LEU  36  -1.410  -7.359  -1.270
  311    HB2  LEU  36           1HB      LEU  36   0.020  -5.410  -3.076
  312    HB3  LEU  36           2HB      LEU  36  -1.515  -5.143  -2.275
  313    HG   LEU  36           HG       LEU  36   1.167  -5.427  -0.929
  314   HD11  LEU  36          1HD1      LEU  36   0.848  -3.122  -0.300
  315   HD12  LEU  36          2HD1      LEU  36  -0.731  -3.091  -1.082
  316   HD13  LEU  36          3HD1      LEU  36   0.731  -3.267  -2.052
  317   HD21  LEU  36          3HD2      LEU  36  -0.020  -4.999   1.144
  318   HD22  LEU  36          1HD2      LEU  36  -0.627  -6.468   0.378
  319   HD23  LEU  36          2HD2      LEU  36  -1.555  -4.971   0.277
  320    H    ASN  37           H        ASN  37  -3.210  -7.761  -2.338
  321    HA   ASN  37           HA       ASN  37  -3.073  -8.605  -5.115
  322    HB2  ASN  37           1HB      ASN  37  -4.859  -9.887  -4.612
  323    HB3  ASN  37           2HB      ASN  37  -4.557  -9.451  -2.935
  324   HD21  ASN  37          1HD2      ASN  37  -5.662  -7.419  -2.184
  325   HD22  ASN  37          2HD2      ASN  37  -7.292  -7.204  -2.736
  326    H    GLU  38           H        GLU  38  -4.490  -7.657  -6.730
  327    HA   GLU  38           HA       GLU  38  -4.104  -4.925  -6.926
  328    HB2  GLU  38           1HB      GLU  38  -6.034  -6.717  -8.391
  329    HB3  GLU  38           2HB      GLU  38  -5.740  -5.040  -8.838
  330    HG2  GLU  38           1HG      GLU  38  -3.391  -5.531  -9.215
  331    HG3  GLU  38           2HG      GLU  38  -3.647  -7.205  -8.727
  332    H    GLU  39           H        GLU  39  -6.924  -6.615  -5.655
  333    HA   GLU  39           HA       GLU  39  -8.701  -4.446  -5.471
  334    HB2  GLU  39           1HB      GLU  39  -9.505  -6.665  -5.088
  335    HB3  GLU  39           2HB      GLU  39  -8.336  -6.925  -3.801
  336    HG2  GLU  39           1HG      GLU  39  -9.514  -5.147  -2.493
  337    HG3  GLU  39           2HG      GLU  39 -10.759  -5.148  -3.742
  338    H    ALA  40           H        ALA  40  -6.334  -5.708  -3.161
  339    HA   ALA  40           HA       ALA  40  -6.835  -3.797  -1.125
  340    HB1  ALA  40           3HB      ALA  40  -4.785  -4.644  -0.098
  341    HB2  ALA  40           1HB      ALA  40  -4.375  -5.489  -1.592
  342    HB3  ALA  40           2HB      ALA  40  -5.798  -5.972  -0.666
  343    H    ILE  41           H        ILE  41  -4.965  -3.816  -4.011
  344    HA   ILE  41           HA       ILE  41  -3.141  -1.784  -3.369
  345    HB   ILE  41           HB       ILE  41  -4.259  -2.336  -6.122
  346   HG12  ILE  41          1HG1      ILE  41  -3.315  -4.356  -4.858
  347   HG13  ILE  41          2HG1      ILE  41  -2.655  -4.017  -6.459
  348   HG21  ILE  41          1HG2      ILE  41  -1.588  -1.197  -5.292
  349   HG22  ILE  41          2HG2      ILE  41  -2.955  -0.259  -5.901
  350   HG23  ILE  41          3HG2      ILE  41  -2.160  -1.436  -6.945
  351   HD11  ILE  41          3HD1      ILE  41  -0.930  -4.616  -4.891
  352   HD12  ILE  41          1HD1      ILE  41  -1.408  -3.281  -3.843
  353   HD13  ILE  41          2HD1      ILE  41  -0.746  -2.950  -5.441
  354    H    ARG  42           H        ARG  42  -6.333  -1.794  -4.871
  355    HA   ARG  42           HA       ARG  42  -6.457   1.014  -5.309
  356    HB2  ARG  42           1HB      ARG  42  -8.650  -1.060  -5.211
  357    HB3  ARG  42           2HB      ARG  42  -8.880   0.608  -5.709
  358    HG2  ARG  42           1HG      ARG  42  -7.386   0.302  -7.567
  359    HG3  ARG  42           2HG      ARG  42  -7.060  -1.357  -7.071
  360    HD2  ARG  42           1HD      ARG  42  -9.532  -1.780  -7.299
  361    HD3  ARG  42           2HD      ARG  42  -9.652  -0.193  -8.055
  362    HE   ARG  42           HE       ARG  42  -7.675  -1.534  -9.438
  363   HH11  ARG  42          1HH1      ARG  42 -11.092  -1.925  -8.810
  364   HH12  ARG  42          2HH1      ARG  42 -11.388  -2.861 -10.243
  365   HH21  ARG  42          1HH2      ARG  42  -8.042  -2.778 -11.313
  366   HH22  ARG  42          2HH2      ARG  42  -9.651  -3.335 -11.681
  367    H    GLN  43           H        GLN  43  -7.322  -1.083  -2.651
  368    HA   GLN  43           HA       GLN  43  -8.938   0.655  -1.182
  369    HB2  GLN  43           1HB      GLN  43  -8.715  -1.645  -0.501
  370    HB3  GLN  43           2HB      GLN  43  -6.987  -1.449  -0.230
  371    HG2  GLN  43           1HG      GLN  43  -7.424   0.063   1.616
  372    HG3  GLN  43           2HG      GLN  43  -9.157  -0.051   1.324
  373   HE21  GLN  43          1HE2      GLN  43  -9.532  -0.790   3.393
  374   HE22  GLN  43          2HE2      GLN  43  -9.132  -2.401   3.895
  375    H    PHE  44           H        PHE  44  -5.428   0.429  -1.401
  376    HA   PHE  44           HA       PHE  44  -5.093   2.483   0.621
  377    HB2  PHE  44           1HB      PHE  44  -3.561   0.320  -0.219
  378    HB3  PHE  44           2HB      PHE  44  -2.683   1.723  -0.818
  379    HD1  PHE  44           HD1      PHE  44  -1.745   3.355   0.727
  380    HD2  PHE  44           HD2      PHE  44  -3.794  -0.102   2.133
  381    HE1  PHE  44           HE1      PHE  44  -0.811   3.720   2.975
  382    HE2  PHE  44           HE2      PHE  44  -2.867   0.257   4.382
  383    HZ   PHE  44           HZ       PHE  44  -1.372   2.169   4.808
  384    H    PHE  45           H        PHE  45  -4.834   2.135  -2.876
  385    HA   PHE  45           HA       PHE  45  -3.612   4.768  -3.116
  386    HB2  PHE  45           1HB      PHE  45  -4.125   2.564  -5.100
  387    HB3  PHE  45           2HB      PHE  45  -3.552   4.156  -5.588
  388    HD1  PHE  45           HD1      PHE  45  -2.722   1.378  -3.245
  389    HD2  PHE  45           HD2      PHE  45  -1.295   4.556  -5.680
  390    HE1  PHE  45           HE1      PHE  45  -0.410   0.690  -2.776
  391    HE2  PHE  45           HE2      PHE  45   1.017   3.871  -5.220
  392    HZ   PHE  45           HZ       PHE  45   1.466   1.939  -3.764
  393    H    GLU  46           H        GLU  46  -6.402   3.142  -4.637
  394    HA   GLU  46           HA       GLU  46  -7.329   5.482  -5.896
  395    HB2  GLU  46           1HB      GLU  46  -7.967   3.233  -6.639
  396    HB3  GLU  46           2HB      GLU  46  -8.882   2.996  -5.156
  397    HG2  GLU  46           1HG      GLU  46 -10.373   4.810  -5.763
  398    HG3  GLU  46           2HG      GLU  46  -9.435   5.097  -7.226
  399    H    GLU  47           H        GLU  47  -8.287   3.906  -2.881
  400    HA   GLU  47           HA       GLU  47 -10.337   5.818  -2.296
  401    HB2  GLU  47           1HB      GLU  47 -10.301   3.428  -1.529
  402    HB3  GLU  47           2HB      GLU  47  -9.014   3.863  -0.416
  403    HG2  GLU  47           1HG      GLU  47 -10.514   5.445   0.693
  404    HG3  GLU  47           2HG      GLU  47 -11.805   4.987  -0.417
  405    H    PHE  48           H        PHE  48  -7.112   6.199  -2.333
  406    HA   PHE  48           HA       PHE  48  -6.806   7.653   0.167
  407    HB2  PHE  48           1HB      PHE  48  -5.027   6.177  -0.962
  408    HB3  PHE  48           2HB      PHE  48  -4.819   7.510  -2.085
  409    HD1  PHE  48           HD1      PHE  48  -4.007   9.716  -1.237
  410    HD2  PHE  48           HD2      PHE  48  -4.078   6.215   1.183
  411    HE1  PHE  48           HE1      PHE  48  -2.405  10.758   0.313
  412    HE2  PHE  48           HE2      PHE  48  -2.476   7.252   2.735
  413    HZ   PHE  48           HZ       PHE  48  -1.635   9.525   2.299
  414    H    GLU  49           H        GLU  49  -6.149   8.434  -3.260
  415    HA   GLU  49           HA       GLU  49  -7.216  11.124  -2.806
  416    HB2  GLU  49           1HB      GLU  49  -5.239  12.101  -3.952
  417    HB3  GLU  49           2HB      GLU  49  -4.865  11.375  -2.394
  418    HG2  GLU  49           1HG      GLU  49  -3.883   9.474  -3.429
  419    HG3  GLU  49           2HG      GLU  49  -4.460   9.967  -5.022
  420    H    GLN  50           H        GLN  50  -7.354   8.436  -4.635
  421    HA   GLN  50           HA       GLN  50  -7.703   9.881  -7.161
  422    HB2  GLN  50           1HB      GLN  50  -7.620   6.904  -6.615
  423    HB3  GLN  50           2HB      GLN  50  -7.842   7.631  -8.202
  424    HG2  GLN  50           1HG      GLN  50  -5.418   7.821  -6.433
  425    HG3  GLN  50           2HG      GLN  50  -5.557   6.975  -7.973
  426   HE21  GLN  50          1HE2      GLN  50  -7.093   9.117  -9.222
  427   HE22  GLN  50          2HE2      GLN  50  -5.982  10.409  -9.516
  428    H    ARG  51           H        ARG  51  -9.442   9.998  -4.835
  429    HA   ARG  51           HA       ARG  51 -11.863   8.607  -5.320
  430    HB2  ARG  51           1HB      ARG  51 -11.288  11.138  -3.775
  431    HB3  ARG  51           2HB      ARG  51 -12.803  10.251  -3.708
  432    HG2  ARG  51           1HG      ARG  51 -11.817   8.449  -2.588
  433    HG3  ARG  51           2HG      ARG  51 -10.189   8.965  -3.023
  434    HD2  ARG  51           1HD      ARG  51 -10.261  10.789  -1.529
  435    HD3  ARG  51           2HD      ARG  51 -11.997  10.604  -1.272
  436    HE   ARG  51           HE       ARG  51 -10.603   8.265  -0.474
  437   HH11  ARG  51          1HH1      ARG  51 -11.158  11.577   0.513
  438   HH12  ARG  51          2HH1      ARG  51 -11.011  11.226   2.213
  439   HH21  ARG  51          1HH2      ARG  51 -10.410   7.801   1.757
  440   HH22  ARG  51          2HH2      ARG  51 -10.605   9.077   2.924
  441    H    LYS  52           H        LYS  52 -13.522   9.102  -6.633
  442    HA   LYS  52           HA       LYS  52 -13.329  11.612  -8.156
  443    HB2  LYS  52           1HB      LYS  52 -14.567   8.972  -8.952
  444    HB3  LYS  52           2HB      LYS  52 -14.626  10.436  -9.919
  445    HG2  LYS  52           1HG      LYS  52 -12.181  10.405 -10.097
  446    HG3  LYS  52           2HG      LYS  52 -12.143   8.918  -9.150
  447    HD2  LYS  52           1HD      LYS  52 -11.968   8.322 -11.457
  448    HD3  LYS  52           2HD      LYS  52 -13.576   7.859 -10.903
  449    HE2  LYS  52           1HE      LYS  52 -13.048  10.473 -12.285
  450    HE3  LYS  52           2HE      LYS  52 -13.390   8.996 -13.182
  451    HZ1  LYS  52           3HZ      LYS  52 -15.515   8.833 -12.104
  452    HZ2  LYS  52           1HZ      LYS  52 -15.373  10.371 -12.802
  453    HZ3  LYS  52           2HZ      LYS  52 -15.188  10.179 -11.131
  Start of MODEL   16
    1    H1   MET   1           1H       MET   1 -10.575 -12.667   6.043
    2    H2   MET   1           2H       MET   1  -9.747 -12.242   7.462
    3    H3   MET   1           3H       MET   1 -10.450 -13.775   7.322
    4    HA   MET   1           HA       MET   1  -8.065 -13.886   7.053
    5    HB2  MET   1           1HB      MET   1  -8.030 -15.089   4.877
    6    HB3  MET   1           2HB      MET   1  -9.437 -15.529   5.840
    7    HG2  MET   1           1HG      MET   1 -10.869 -14.190   4.494
    8    HG3  MET   1           2HG      MET   1  -9.500 -13.477   3.644
    9    HE1  MET   1           3HE      MET   1  -7.598 -15.829   2.996
   10    HE2  MET   1           1HE      MET   1  -8.116 -14.649   1.792
   11    HE3  MET   1           2HE      MET   1  -8.207 -16.374   1.434
   12    H    LYS   2           H        LYS   2  -9.653 -11.521   5.038
   13    HA   LYS   2           HA       LYS   2  -8.905  -9.824   3.710
   14    HB2  LYS   2           1HB      LYS   2  -6.370 -10.351   5.237
   15    HB3  LYS   2           2HB      LYS   2  -6.380  -9.233   3.881
   16    HG2  LYS   2           1HG      LYS   2  -6.714  -7.831   5.669
   17    HG3  LYS   2           2HG      LYS   2  -8.362  -8.125   5.125
   18    HD2  LYS   2           1HD      LYS   2  -8.379  -8.305   7.486
   19    HD3  LYS   2           2HD      LYS   2  -8.486  -9.949   6.856
   20    HE2  LYS   2           1HE      LYS   2  -6.145 -10.316   7.278
   21    HE3  LYS   2           2HE      LYS   2  -5.926  -8.630   7.745
   22    HZ1  LYS   2           3HZ      LYS   2  -6.071 -10.021   9.693
   23    HZ2  LYS   2           1HZ      LYS   2  -7.564 -10.649   9.180
   24    HZ3  LYS   2           2HZ      LYS   2  -7.436  -9.015   9.615
   25    H    GLN   3           H        GLN   3  -7.122  -9.365   1.972
   26    HA   GLN   3           HA       GLN   3  -6.656 -11.883   0.503
   27    HB2  GLN   3           1HB      GLN   3  -7.586  -9.250  -0.670
   28    HB3  GLN   3           2HB      GLN   3  -7.182 -10.689  -1.594
   29    HG2  GLN   3           1HG      GLN   3  -9.449 -10.388   0.361
   30    HG3  GLN   3           2HG      GLN   3  -9.573 -10.464  -1.395
   31   HE21  GLN   3          1HE2      GLN   3 -10.786 -12.155   0.628
   32   HE22  GLN   3          2HE2      GLN   3 -10.268 -13.771   0.275
   33    H    TRP   4           H        TRP   4  -5.077  -9.867   2.171
   34    HA   TRP   4           HA       TRP   4  -2.757  -9.775   0.491
   35    HB2  TRP   4           1HB      TRP   4  -2.349  -7.377   1.229
   36    HB3  TRP   4           2HB      TRP   4  -3.647  -7.556   0.056
   37    HD1  TRP   4           HD1      TRP   4  -2.964  -6.294   3.532
   38    HE1  TRP   4           HE1      TRP   4  -5.094  -5.311   4.567
   39    HE3  TRP   4           HE3      TRP   4  -6.298  -7.852   0.041
   40    HZ2  TRP   4           HZ2      TRP   4  -7.841  -5.195   3.960
   41    HZ3  TRP   4           HZ3      TRP   4  -8.674  -7.261   0.324
   42    HH2  TRP   4           HH2      TRP   4  -9.428  -5.958   2.247
   43    H    SER   5           H        SER   5  -0.902  -9.848   1.889
   44    HA   SER   5           HA       SER   5  -1.188 -11.212   4.240
   45    HB2  SER   5           1HB      SER   5   1.007  -9.230   3.588
   46    HB3  SER   5           2HB      SER   5   1.114 -10.551   4.753
   47    HG   SER   5           HG       SER   5   2.024 -10.985   2.618
   48    H    GLU   6           H        GLU   6  -2.389 -10.641   5.926
   49    HA   GLU   6           HA       GLU   6  -3.338  -8.351   6.884
   50    HB2  GLU   6           1HB      GLU   6  -3.681 -10.476   8.006
   51    HB3  GLU   6           2HB      GLU   6  -2.008 -10.498   8.542
   52    HG2  GLU   6           1HG      GLU   6  -2.404  -8.585   9.965
   53    HG3  GLU   6           2HG      GLU   6  -4.062  -8.462   9.378
   54    H    ASN   7           H        ASN   7   0.040  -9.325   7.258
   55    HA   ASN   7           HA       ASN   7   0.804  -7.149   8.924
   56    HB2  ASN   7           1HB      ASN   7   2.357  -9.089   7.226
   57    HB3  ASN   7           2HB      ASN   7   3.145  -7.775   8.086
   58   HD21  ASN   7          1HD2      ASN   7   4.311  -9.293   9.297
   59   HD22  ASN   7          2HD2      ASN   7   3.579 -10.170  10.597
   60    H    VAL   8           H        VAL   8   0.132  -7.339   5.546
   61    HA   VAL   8           HA       VAL   8   2.051  -5.447   4.618
   62    HB   VAL   8           HB       VAL   8  -0.515  -6.534   3.525
   63   HG11  VAL   8          1HG1      VAL   8  -0.436  -4.110   2.966
   64   HG12  VAL   8          2HG1      VAL   8  -0.379  -5.179   1.567
   65   HG13  VAL   8          3HG1      VAL   8   1.098  -4.401   2.143
   66   HG21  VAL   8          3HG2      VAL   8   2.338  -6.542   2.558
   67   HG22  VAL   8          1HG2      VAL   8   0.978  -7.289   1.722
   68   HG23  VAL   8          2HG2      VAL   8   1.474  -7.888   3.304
   69    H    GLU   9           H        GLU   9  -1.228  -5.210   5.810
   70    HA   GLU   9           HA       GLU   9  -1.868  -2.602   5.168
   71    HB2  GLU   9           1HB      GLU   9  -3.395  -4.275   6.148
   72    HB3  GLU   9           2HB      GLU   9  -2.569  -4.103   7.694
   73    HG2  GLU   9           1HG      GLU   9  -3.216  -1.681   7.665
   74    HG3  GLU   9           2HG      GLU   9  -4.210  -2.035   6.253
   75    H    GLU  10           H        GLU  10  -0.155  -3.804   8.027
   76    HA   GLU  10           HA       GLU  10   0.261  -1.302   9.263
   77    HB2  GLU  10           1HB      GLU  10   0.557  -3.178  10.655
   78    HB3  GLU  10           2HB      GLU  10   1.593  -3.992   9.489
   79    HG2  GLU  10           1HG      GLU  10   3.352  -2.354   9.901
   80    HG3  GLU  10           2HG      GLU  10   2.320  -1.540  11.081
   81    H    LYS  11           H        LYS  11   2.492  -3.339   7.401
   82    HA   LYS  11           HA       LYS  11   4.645  -1.550   7.676
   83    HB2  LYS  11           1HB      LYS  11   4.797  -3.999   7.334
   84    HB3  LYS  11           2HB      LYS  11   4.306  -3.763   5.661
   85    HG2  LYS  11           1HG      LYS  11   6.298  -2.478   5.216
   86    HG3  LYS  11           2HG      LYS  11   6.773  -2.579   6.915
   87    HD2  LYS  11           1HD      LYS  11   6.487  -4.894   4.999
   88    HD3  LYS  11           2HD      LYS  11   8.004  -4.205   5.577
   89    HE2  LYS  11           1HE      LYS  11   5.906  -5.604   7.233
   90    HE3  LYS  11           2HE      LYS  11   7.503  -6.222   6.817
   91    HZ1  LYS  11           3HZ      LYS  11   7.632  -5.395   9.012
   92    HZ2  LYS  11           1HZ      LYS  11   6.850  -3.945   8.605
   93    HZ3  LYS  11           2HZ      LYS  11   8.419  -4.254   8.038
   94    H    LEU  12           H        LEU  12   2.225  -1.946   5.149
   95    HA   LEU  12           HA       LEU  12   3.536  -0.356   3.205
   96    HB2  LEU  12           1HB      LEU  12   1.639  -1.895   2.740
   97    HB3  LEU  12           2HB      LEU  12   0.570  -0.774   3.561
   98    HG   LEU  12           HG       LEU  12   1.092   0.947   1.869
   99   HD11  LEU  12          1HD1      LEU  12   3.337   0.162   1.269
  100   HD12  LEU  12          2HD1      LEU  12   2.307   0.344  -0.151
  101   HD13  LEU  12          3HD1      LEU  12   2.630  -1.262   0.504
  102   HD21  LEU  12          3HD2      LEU  12   0.096  -1.695   0.816
  103   HD22  LEU  12          1HD2      LEU  12  -0.088  -0.150  -0.014
  104   HD23  LEU  12          2HD2      LEU  12  -0.867  -0.410   1.547
  105    H    LYS  13           H        LYS  13   1.181   0.391   5.752
  106    HA   LYS  13           HA       LYS  13   0.889   3.131   5.195
  107    HB2  LYS  13           1HB      LYS  13  -0.503   1.811   6.815
  108    HB3  LYS  13           2HB      LYS  13   0.858   1.841   7.928
  109    HG2  LYS  13           1HG      LYS  13   0.700   4.432   7.574
  110    HG3  LYS  13           2HG      LYS  13  -0.948   4.049   7.082
  111    HD2  LYS  13           1HD      LYS  13  -0.931   4.569   9.436
  112    HD3  LYS  13           2HD      LYS  13  -1.279   2.853   9.221
  113    HE2  LYS  13           1HE      LYS  13   1.084   2.334   9.705
  114    HE3  LYS  13           2HE      LYS  13   1.394   4.052   9.971
  115    HZ1  LYS  13           3HZ      LYS  13   1.056   2.958  12.064
  116    HZ2  LYS  13           1HZ      LYS  13  -0.430   2.323  11.550
  117    HZ3  LYS  13           2HZ      LYS  13  -0.251   3.997  11.772
  118    H    GLU  14           H        GLU  14   3.140   1.386   7.267
  119    HA   GLU  14           HA       GLU  14   4.592   3.506   8.326
  120    HB2  GLU  14           1HB      GLU  14   5.552   0.754   7.517
  121    HB3  GLU  14           2HB      GLU  14   6.429   1.858   8.566
  122    HG2  GLU  14           1HG      GLU  14   3.651   1.010   9.251
  123    HG3  GLU  14           2HG      GLU  14   5.025  -0.043   9.601
  124    H    PHE  15           H        PHE  15   5.164   1.679   5.336
  125    HA   PHE  15           HA       PHE  15   7.582   3.064   4.751
  126    HB2  PHE  15           1HB      PHE  15   7.054   0.691   4.175
  127    HB3  PHE  15           2HB      PHE  15   5.926   1.286   2.968
  128    HD1  PHE  15           HD1      PHE  15   9.420   2.183   3.930
  129    HD2  PHE  15           HD2      PHE  15   6.747   0.969   0.851
  130    HE1  PHE  15           HE1      PHE  15  11.262   2.271   2.301
  131    HE2  PHE  15           HE2      PHE  15   8.583   1.046  -0.777
  132    HZ   PHE  15           HZ       PHE  15  10.846   1.702  -0.057
  133    H    VAL  16           H        VAL  16   4.275   3.719   4.108
  134    HA   VAL  16           HA       VAL  16   4.950   5.555   1.931
  135    HB   VAL  16           HB       VAL  16   2.261   4.759   3.061
  136   HG11  VAL  16          1HG1      VAL  16   2.887   6.560   0.723
  137   HG12  VAL  16          2HG1      VAL  16   2.207   7.070   2.268
  138   HG13  VAL  16          3HG1      VAL  16   1.281   6.010   1.205
  139   HG21  VAL  16          3HG2      VAL  16   3.587   4.137   0.423
  140   HG22  VAL  16          1HG2      VAL  16   1.953   3.666   0.891
  141   HG23  VAL  16          2HG2      VAL  16   3.342   3.008   1.756
  142    H    LYS  17           H        LYS  17   3.329   5.639   5.103
  143    HA   LYS  17           HA       LYS  17   3.074   8.506   5.003
  144    HB2  LYS  17           1HB      LYS  17   2.453   6.494   7.159
  145    HB3  LYS  17           2HB      LYS  17   2.145   8.218   7.308
  146    HG2  LYS  17           1HG      LYS  17   0.967   6.491   5.148
  147    HG3  LYS  17           2HG      LYS  17   0.161   6.846   6.676
  148    HD2  LYS  17           1HD      LYS  17   1.041   8.866   4.610
  149    HD3  LYS  17           2HD      LYS  17  -0.617   8.342   4.918
  150    HE2  LYS  17           1HE      LYS  17  -0.510   9.269   7.167
  151    HE3  LYS  17           2HE      LYS  17   1.168   9.746   6.906
  152    HZ1  LYS  17           3HZ      LYS  17  -0.335  11.606   6.607
  153    HZ2  LYS  17           1HZ      LYS  17  -1.184  10.767   5.400
  154    HZ3  LYS  17           2HZ      LYS  17   0.431  11.227   5.141
  155    H    ARG  18           H        ARG  18   5.070   6.199   6.778
  156    HA   ARG  18           HA       ARG  18   6.194   8.374   8.363
  157    HB2  ARG  18           1HB      ARG  18   6.654   5.395   8.564
  158    HB3  ARG  18           2HB      ARG  18   7.207   6.609   9.711
  159    HG2  ARG  18           1HG      ARG  18   4.876   7.190  10.200
  160    HG3  ARG  18           2HG      ARG  18   4.345   5.932   9.082
  161    HD2  ARG  18           1HD      ARG  18   4.241   5.067  11.314
  162    HD3  ARG  18           2HD      ARG  18   5.561   4.270  10.459
  163    HE   ARG  18           HE       ARG  18   6.696   6.419  11.761
  164   HH11  ARG  18          1HH1      ARG  18   4.994   3.484  12.610
  165   HH12  ARG  18          2HH1      ARG  18   5.692   3.392  14.203
  166   HH21  ARG  18          1HH2      ARG  18   7.619   6.319  13.838
  167   HH22  ARG  18          2HH2      ARG  18   7.198   5.006  14.901
  168    H    HIS  19           H        HIS  19   6.799   7.078   5.450
  169    HA   HIS  19           HA       HIS  19   9.690   7.515   5.701
  170    HB2  HIS  19           1HB      HIS  19   8.090   5.757   3.872
  171    HB3  HIS  19           2HB      HIS  19   9.686   6.314   3.381
  172    HD1  HIS  19           HD1      HIS  19  11.463   4.665   3.934
  173    HD2  HIS  19           HD2      HIS  19   8.310   4.517   6.634
  174    HE1  HIS  19           HE1      HIS  19  12.012   2.811   5.563
  175    H    GLN  20           H        GLN  20  10.134   7.802   2.911
  176    HA   GLN  20           HA       GLN  20   9.404  10.604   2.678
  177    HB2  GLN  20           1HB      GLN  20  11.161   8.939   0.859
  178    HB3  GLN  20           2HB      GLN  20  11.041  10.690   0.883
  179    HG2  GLN  20           1HG      GLN  20  12.989  10.372   2.024
  180    HG3  GLN  20           2HG      GLN  20  11.836  10.420   3.356
  181   HE21  GLN  20          1HE2      GLN  20  13.913   8.410   1.435
  182   HE22  GLN  20          2HE2      GLN  20  13.905   7.040   2.487
  183    H    ARG  21           H        ARG  21   7.423   8.452   2.280
  184    HA   ARG  21           HA       ARG  21   5.754   7.781   0.904
  185    HB2  ARG  21           1HB      ARG  21   6.512  10.224  -0.716
  186    HB3  ARG  21           2HB      ARG  21   5.037   9.291  -0.915
  187    HG2  ARG  21           1HG      ARG  21   4.401   9.875   1.403
  188    HG3  ARG  21           2HG      ARG  21   5.834  10.900   1.500
  189    HD2  ARG  21           1HD      ARG  21   3.937  12.272   0.969
  190    HD3  ARG  21           2HD      ARG  21   4.984  12.185  -0.447
  191    HE   ARG  21           HE       ARG  21   2.743  10.315  -0.311
  192   HH11  ARG  21          1HH1      ARG  21   4.078  13.264  -1.658
  193   HH12  ARG  21          2HH1      ARG  21   2.932  13.329  -2.959
  194   HH21  ARG  21          1HH2      ARG  21   1.250  10.405  -2.011
  195   HH22  ARG  21          2HH2      ARG  21   1.315  11.714  -3.162
  196    H    ILE  22           H        ILE  22   5.358   7.420  -1.709
  197    HA   ILE  22           HA       ILE  22   7.741   6.727  -3.120
  198    HB   ILE  22           HB       ILE  22   7.690   4.907  -1.459
  199   HG12  ILE  22          1HG1      ILE  22   6.989   3.889  -4.218
  200   HG13  ILE  22          2HG1      ILE  22   8.560   4.553  -3.777
  201   HG21  ILE  22          1HG2      ILE  22   5.311   4.799  -1.043
  202   HG22  ILE  22          2HG2      ILE  22   5.913   3.216  -1.535
  203   HG23  ILE  22          3HG2      ILE  22   5.023   4.216  -2.684
  204   HD11  ILE  22          3HD1      ILE  22   8.860   2.779  -2.147
  205   HD12  ILE  22          1HD1      ILE  22   8.573   2.124  -3.760
  206   HD13  ILE  22          2HD1      ILE  22   7.276   2.121  -2.564
  207    H    THR  23           H        THR  23   7.337   6.133  -5.263
  208    HA   THR  23           HA       THR  23   4.692   6.821  -6.217
  209    HB   THR  23           HB       THR  23   5.887   6.432  -8.489
  210    HG1  THR  23           HG1      THR  23   8.215   6.878  -6.942
  211   HG21  THR  23          3HG2      THR  23   6.758   8.645  -6.624
  212   HG22  THR  23          1HG2      THR  23   5.305   8.641  -7.622
  213   HG23  THR  23          2HG2      THR  23   6.897   8.672  -8.381
  214    H    GLN  24           H        GLN  24   3.729   5.513  -7.987
  215    HA   GLN  24           HA       GLN  24   2.994   3.039  -6.942
  216    HB2  GLN  24           1HB      GLN  24   1.536   4.381  -8.357
  217    HB3  GLN  24           2HB      GLN  24   2.599   4.113  -9.731
  218    HG2  GLN  24           1HG      GLN  24   2.112   1.732  -9.656
  219    HG3  GLN  24           2HG      GLN  24   1.068   1.986  -8.260
  220   HE21  GLN  24          1HE2      GLN  24  -0.679   1.104  -9.392
  221   HE22  GLN  24          2HE2      GLN  24  -1.515   2.002 -10.615
  222    H    GLU  25           H        GLU  25   5.333   3.801  -9.498
  223    HA   GLU  25           HA       GLU  25   5.641   1.231 -10.559
  224    HB2  GLU  25           1HB      GLU  25   6.658   3.522 -11.294
  225    HB3  GLU  25           2HB      GLU  25   7.982   3.085 -10.225
  226    HG2  GLU  25           1HG      GLU  25   7.034   1.351 -12.494
  227    HG3  GLU  25           2HG      GLU  25   8.315   2.547 -12.648
  228    H    GLU  26           H        GLU  26   7.601   2.806  -8.041
  229    HA   GLU  26           HA       GLU  26   9.073   0.484  -7.389
  230    HB2  GLU  26           1HB      GLU  26   8.599   3.090  -5.956
  231    HB3  GLU  26           2HB      GLU  26   9.584   1.812  -5.257
  232    HG2  GLU  26           1HG      GLU  26  10.106   3.061  -7.944
  233    HG3  GLU  26           2HG      GLU  26  10.866   3.588  -6.442
  234    H    LEU  27           H        LEU  27   6.042   1.798  -6.273
  235    HA   LEU  27           HA       LEU  27   5.849   0.229  -3.920
  236    HB2  LEU  27           1HB      LEU  27   4.605   2.342  -4.300
  237    HB3  LEU  27           2HB      LEU  27   3.641   1.531  -5.517
  238    HG   LEU  27           HG       LEU  27   3.664   0.367  -2.770
  239   HD11  LEU  27          1HD1      LEU  27   1.886   1.896  -2.066
  240   HD12  LEU  27          2HD1      LEU  27   2.119   2.841  -3.536
  241   HD13  LEU  27          3HD1      LEU  27   3.406   2.747  -2.335
  242   HD21  LEU  27          3HD2      LEU  27   1.545   0.731  -4.896
  243   HD22  LEU  27          1HD2      LEU  27   1.308  -0.089  -3.352
  244   HD23  LEU  27          2HD2      LEU  27   2.427  -0.755  -4.542
  245    H    HIS  28           H        HIS  28   4.948  -0.315  -7.280
  246    HA   HIS  28           HA       HIS  28   3.310  -2.577  -6.728
  247    HB2  HIS  28           1HB      HIS  28   4.138  -1.138  -9.073
  248    HB3  HIS  28           2HB      HIS  28   4.319  -2.871  -9.339
  249    HD1  HIS  28           HD1      HIS  28   2.061  -4.326  -8.809
  250    HD2  HIS  28           HD2      HIS  28   1.611  -0.224  -9.306
  251    HE1  HIS  28           HE1      HIS  28  -0.416  -3.912  -9.079
  252    H    GLN  29           H        GLN  29   6.744  -2.169  -7.398
  253    HA   GLN  29           HA       GLN  29   7.322  -4.954  -7.529
  254    HB2  GLN  29           1HB      GLN  29   8.846  -3.067  -8.275
  255    HB3  GLN  29           2HB      GLN  29   9.186  -2.766  -6.579
  256    HG2  GLN  29           1HG      GLN  29   9.653  -5.453  -7.822
  257    HG3  GLN  29           2HG      GLN  29  10.846  -4.164  -7.927
  258   HE21  GLN  29          1HE2      GLN  29  10.985  -6.772  -6.626
  259   HE22  GLN  29          2HE2      GLN  29  11.373  -6.458  -4.972
  260    H    TYR  30           H        TYR  30   7.153  -2.577  -4.949
  261    HA   TYR  30           HA       TYR  30   8.007  -4.302  -2.862
  262    HB2  TYR  30           1HB      TYR  30   7.895  -1.732  -2.891
  263    HB3  TYR  30           2HB      TYR  30   6.187  -1.921  -2.521
  264    HD1  TYR  30           HD1      TYR  30   9.383  -3.420  -1.278
  265    HD2  TYR  30           HD2      TYR  30   5.685  -1.553  -0.310
  266    HE1  TYR  30           HE1      TYR  30   9.946  -3.557   1.110
  267    HE2  TYR  30           HE2      TYR  30   6.237  -1.686   2.082
  268    HH   TYR  30           HH       TYR  30   9.358  -2.456   3.206
  269    H    ALA  31           H        ALA  31   4.952  -3.669  -4.431
  270    HA   ALA  31           HA       ALA  31   3.209  -4.859  -2.600
  271    HB1  ALA  31           3HB      ALA  31   2.435  -3.540  -4.513
  272    HB2  ALA  31           1HB      ALA  31   1.671  -5.129  -4.488
  273    HB3  ALA  31           2HB      ALA  31   2.991  -4.802  -5.610
  274    H    GLN  32           H        GLN  32   4.734  -6.291  -5.473
  275    HA   GLN  32           HA       GLN  32   3.799  -8.907  -5.057
  276    HB2  GLN  32           1HB      GLN  32   5.177  -9.496  -6.841
  277    HB3  GLN  32           2HB      GLN  32   4.932  -7.777  -7.088
  278    HG2  GLN  32           1HG      GLN  32   7.096  -7.329  -6.018
  279    HG3  GLN  32           2HG      GLN  32   7.368  -9.067  -5.916
  280   HE21  GLN  32          1HE2      GLN  32   9.166  -9.024  -7.221
  281   HE22  GLN  32          2HE2      GLN  32   9.076  -8.734  -8.932
  282    H    ARG  33           H        ARG  33   6.607  -7.210  -3.959
  283    HA   ARG  33           HA       ARG  33   8.065  -9.300  -2.814
  284    HB2  ARG  33           1HB      ARG  33   8.949  -7.030  -3.142
  285    HB3  ARG  33           2HB      ARG  33   7.872  -6.428  -1.889
  286    HG2  ARG  33           1HG      ARG  33   9.018  -7.828  -0.241
  287    HG3  ARG  33           2HG      ARG  33  10.105  -8.411  -1.502
  288    HD2  ARG  33           1HD      ARG  33  10.920  -6.139  -1.859
  289    HD3  ARG  33           2HD      ARG  33   9.814  -5.540  -0.624
  290    HE   ARG  33           HE       ARG  33  11.497  -7.587   0.403
  291   HH11  ARG  33          1HH1      ARG  33  11.449  -4.186  -0.430
  292   HH12  ARG  33          2HH1      ARG  33  12.720  -3.764   0.671
  293   HH21  ARG  33          1HH2      ARG  33  13.182  -7.039   1.841
  294   HH22  ARG  33          2HH2      ARG  33  13.709  -5.382   1.957
  295    H    LEU  34           H        LEU  34   5.608  -7.196  -1.291
  296    HA   LEU  34           HA       LEU  34   5.849  -8.554   1.233
  297    HB2  LEU  34           1HB      LEU  34   3.867  -6.512   0.246
  298    HB3  LEU  34           2HB      LEU  34   3.934  -7.115   1.885
  299    HG   LEU  34           HG       LEU  34   5.994  -5.442   0.473
  300   HD11  LEU  34          1HD1      LEU  34   5.506  -3.891   2.344
  301   HD12  LEU  34          2HD1      LEU  34   4.204  -4.969   2.847
  302   HD13  LEU  34          3HD1      LEU  34   4.133  -4.171   1.276
  303   HD21  LEU  34          3HD2      LEU  34   7.295  -5.527   2.534
  304   HD22  LEU  34          1HD2      LEU  34   7.127  -7.132   1.821
  305   HD23  LEU  34          2HD2      LEU  34   6.149  -6.680   3.219
  306    H    GLY  35           H        GLY  35   4.026  -9.072  -1.607
  307    HA2  GLY  35           1HA      GLY  35   2.715 -11.040  -1.924
  308    HA3  GLY  35           2HA      GLY  35   2.395 -11.068  -0.193
  309    H    LEU  36           H        LEU  36   2.191  -8.170  -2.082
  310    HA   LEU  36           HA       LEU  36  -0.552  -7.774  -1.334
  311    HB2  LEU  36           1HB      LEU  36   1.548  -6.170  -2.673
  312    HB3  LEU  36           2HB      LEU  36  -0.116  -5.770  -3.054
  313    HG   LEU  36           HG       LEU  36   1.035  -5.847  -0.267
  314   HD11  LEU  36          1HD1      LEU  36   0.663  -3.344  -0.443
  315   HD12  LEU  36          2HD1      LEU  36   0.549  -3.583  -2.187
  316   HD13  LEU  36          3HD1      LEU  36   2.032  -3.998  -1.332
  317   HD21  LEU  36          3HD2      LEU  36  -1.616  -4.855  -1.304
  318   HD22  LEU  36          1HD2      LEU  36  -1.059  -4.781   0.366
  319   HD23  LEU  36          2HD2      LEU  36  -1.363  -6.345  -0.391
  320    H    ASN  37           H        ASN  37  -1.888  -6.721  -3.162
  321    HA   ASN  37           HA       ASN  37  -1.801  -8.021  -5.695
  322    HB2  ASN  37           1HB      ASN  37  -3.849  -9.270  -5.553
  323    HB3  ASN  37           2HB      ASN  37  -2.824  -9.795  -4.227
  324   HD21  ASN  37          1HD2      ASN  37  -3.416  -7.393  -2.611
  325   HD22  ASN  37          2HD2      ASN  37  -5.017  -7.645  -2.010
  326    H    GLU  38           H        GLU  38  -3.810  -7.287  -6.981
  327    HA   GLU  38           HA       GLU  38  -3.626  -4.473  -6.899
  328    HB2  GLU  38           1HB      GLU  38  -5.552  -6.240  -8.421
  329    HB3  GLU  38           2HB      GLU  38  -5.298  -4.527  -8.730
  330    HG2  GLU  38           1HG      GLU  38  -3.014  -4.930  -9.374
  331    HG3  GLU  38           2HG      GLU  38  -3.155  -6.633  -8.941
  332    H    GLU  39           H        GLU  39  -5.764  -6.646  -5.347
  333    HA   GLU  39           HA       GLU  39  -8.053  -5.167  -4.867
  334    HB2  GLU  39           1HB      GLU  39  -8.095  -7.371  -4.112
  335    HB3  GLU  39           2HB      GLU  39  -6.520  -7.244  -3.345
  336    HG2  GLU  39           1HG      GLU  39  -8.247  -7.473  -1.681
  337    HG3  GLU  39           2HG      GLU  39  -7.501  -5.878  -1.558
  338    H    ALA  40           H        ALA  40  -5.211  -5.402  -2.764
  339    HA   ALA  40           HA       ALA  40  -6.187  -3.205  -1.157
  340    HB1  ALA  40           3HB      ALA  40  -3.745  -4.940  -0.907
  341    HB2  ALA  40           1HB      ALA  40  -5.242  -5.066   0.011
  342    HB3  ALA  40           2HB      ALA  40  -4.182  -3.675   0.238
  343    H    ILE  41           H        ILE  41  -3.894  -3.712  -3.697
  344    HA   ILE  41           HA       ILE  41  -2.267  -1.457  -3.264
  345    HB   ILE  41           HB       ILE  41  -2.985  -2.795  -5.881
  346   HG12  ILE  41          1HG1      ILE  41  -0.564  -3.099  -4.089
  347   HG13  ILE  41          2HG1      ILE  41  -1.878  -4.263  -4.233
  348   HG21  ILE  41          1HG2      ILE  41  -2.162  -0.531  -6.254
  349   HG22  ILE  41          2HG2      ILE  41  -0.971  -1.724  -6.778
  350   HG23  ILE  41          3HG2      ILE  41  -0.748  -0.868  -5.252
  351   HD11  ILE  41          3HD1      ILE  41   0.046  -4.975  -5.514
  352   HD12  ILE  41          1HD1      ILE  41   0.033  -3.460  -6.417
  353   HD13  ILE  41          2HD1      ILE  41  -1.301  -4.601  -6.590
  354    H    ARG  42           H        ARG  42  -5.132  -1.900  -5.332
  355    HA   ARG  42           HA       ARG  42  -5.404   0.824  -6.034
  356    HB2  ARG  42           1HB      ARG  42  -6.508  -0.760  -7.401
  357    HB3  ARG  42           2HB      ARG  42  -7.312  -1.507  -6.029
  358    HG2  ARG  42           1HG      ARG  42  -8.655   0.535  -5.748
  359    HG3  ARG  42           2HG      ARG  42  -7.866   1.212  -7.172
  360    HD2  ARG  42           1HD      ARG  42  -8.755  -0.541  -8.562
  361    HD3  ARG  42           2HD      ARG  42  -9.433  -1.359  -7.155
  362    HE   ARG  42           HE       ARG  42 -10.389   1.346  -7.556
  363   HH11  ARG  42          1HH1      ARG  42 -10.881  -2.065  -8.217
  364   HH12  ARG  42          2HH1      ARG  42 -12.569  -1.884  -8.612
  365   HH21  ARG  42          1HH2      ARG  42 -12.620   1.592  -8.076
  366   HH22  ARG  42          2HH2      ARG  42 -13.555   0.199  -8.547
  367    H    GLN  43           H        GLN  43  -6.803  -1.142  -3.454
  368    HA   GLN  43           HA       GLN  43  -8.649   0.655  -2.433
  369    HB2  GLN  43           1HB      GLN  43  -8.394  -1.736  -1.768
  370    HB3  GLN  43           2HB      GLN  43  -6.982  -1.284  -0.823
  371    HG2  GLN  43           1HG      GLN  43  -8.456   0.264   0.472
  372    HG3  GLN  43           2HG      GLN  43  -9.832  -0.435  -0.379
  373   HE21  GLN  43          1HE2      GLN  43 -10.359  -2.620  -0.005
  374   HE22  GLN  43          2HE2      GLN  43  -9.835  -3.438   1.422
  375    H    PHE  44           H        PHE  44  -5.229   0.257  -1.549
  376    HA   PHE  44           HA       PHE  44  -5.238   2.120   0.563
  377    HB2  PHE  44           1HB      PHE  44  -3.480   0.270  -0.298
  378    HB3  PHE  44           2HB      PHE  44  -2.717   1.716  -0.947
  379    HD1  PHE  44           HD1      PHE  44  -3.763  -0.018   2.113
  380    HD2  PHE  44           HD2      PHE  44  -1.679   3.325   0.497
  381    HE1  PHE  44           HE1      PHE  44  -2.763   0.417   4.318
  382    HE2  PHE  44           HE2      PHE  44  -0.674   3.766   2.704
  383    HZ   PHE  44           HZ       PHE  44  -1.214   2.307   4.618
  384    H    PHE  45           H        PHE  45  -4.875   2.502  -2.890
  385    HA   PHE  45           HA       PHE  45  -3.874   5.207  -2.668
  386    HB2  PHE  45           1HB      PHE  45  -4.668   3.485  -5.004
  387    HB3  PHE  45           2HB      PHE  45  -4.313   5.198  -5.199
  388    HD1  PHE  45           HD1      PHE  45  -2.029   5.729  -3.615
  389    HD2  PHE  45           HD2      PHE  45  -2.959   2.213  -5.820
  390    HE1  PHE  45           HE1      PHE  45   0.371   5.225  -3.817
  391    HE2  PHE  45           HE2      PHE  45  -0.564   1.698  -6.017
  392    HZ   PHE  45           HZ       PHE  45   1.106   3.205  -5.018
  393    H    GLU  46           H        GLU  46  -6.935   3.668  -3.662
  394    HA   GLU  46           HA       GLU  46  -8.078   6.243  -4.279
  395    HB2  GLU  46           1HB      GLU  46  -9.296   3.487  -4.290
  396    HB3  GLU  46           2HB      GLU  46 -10.107   4.943  -4.850
  397    HG2  GLU  46           1HG      GLU  46  -8.058   5.188  -6.407
  398    HG3  GLU  46           2HG      GLU  46  -7.804   3.480  -6.050
  399    H    GLU  47           H        GLU  47  -8.305   3.925  -1.639
  400    HA   GLU  47           HA       GLU  47 -10.246   5.699  -0.336
  401    HB2  GLU  47           1HB      GLU  47  -9.400   2.872   0.297
  402    HB3  GLU  47           2HB      GLU  47 -10.430   3.832   1.356
  403    HG2  GLU  47           1HG      GLU  47 -11.979   4.119  -0.614
  404    HG3  GLU  47           2HG      GLU  47 -11.016   2.897  -1.439
  405    H    PHE  48           H        PHE  48  -7.400   6.171  -0.771
  406    HA   PHE  48           HA       PHE  48  -6.070   6.226   1.744
  407    HB2  PHE  48           1HB      PHE  48  -5.138   6.464  -0.673
  408    HB3  PHE  48           2HB      PHE  48  -5.614   8.148  -0.534
  409    HD1  PHE  48           HD1      PHE  48  -3.735   5.623   1.484
  410    HD2  PHE  48           HD2      PHE  48  -3.962   9.613   0.016
  411    HE1  PHE  48           HE1      PHE  48  -1.555   6.125   2.513
  412    HE2  PHE  48           HE2      PHE  48  -1.788  10.122   1.047
  413    HZ   PHE  48           HZ       PHE  48  -0.579   8.374   2.288
  414    H    GLU  49           H        GLU  49  -5.348   8.685   2.391
  415    HA   GLU  49           HA       GLU  49  -7.714   9.960   3.351
  416    HB2  GLU  49           1HB      GLU  49  -6.165  11.552   4.375
  417    HB3  GLU  49           2HB      GLU  49  -5.651   9.893   4.652
  418    HG2  GLU  49           1HG      GLU  49  -4.007  10.111   2.843
  419    HG3  GLU  49           2HG      GLU  49  -4.506  11.787   2.609
  420    H    GLN  50           H        GLN  50  -6.964   9.865   0.362
  421    HA   GLN  50           HA       GLN  50  -7.066  12.747  -0.207
  422    HB2  GLN  50           1HB      GLN  50  -6.212  10.429  -1.945
  423    HB3  GLN  50           2HB      GLN  50  -6.306  12.099  -2.487
  424    HG2  GLN  50           1HG      GLN  50  -4.549  11.103  -0.256
  425    HG3  GLN  50           2HG      GLN  50  -4.021  11.401  -1.913
  426   HE21  GLN  50          1HE2      GLN  50  -5.066  12.854   1.069
  427   HE22  GLN  50          2HE2      GLN  50  -4.561  14.467   0.693
  428    H    ARG  51           H        ARG  51  -9.278  10.726   0.453
  429    HA   ARG  51           HA       ARG  51 -10.862  10.625  -1.942
  430    HB2  ARG  51           1HB      ARG  51 -11.610  10.111   0.946
  431    HB3  ARG  51           2HB      ARG  51 -12.679   9.849  -0.422
  432    HG2  ARG  51           1HG      ARG  51 -11.179   8.165  -1.265
  433    HG3  ARG  51           2HG      ARG  51 -10.067   8.479   0.075
  434    HD2  ARG  51           1HD      ARG  51 -12.582   6.991   0.031
  435    HD3  ARG  51           2HD      ARG  51 -11.193   6.872   1.099
  436    HE   ARG  51           HE       ARG  51 -12.616   9.225   1.687
  437   HH11  ARG  51          1HH1      ARG  51 -12.879   5.747   2.021
  438   HH12  ARG  51          2HH1      ARG  51 -13.845   5.829   3.460
  439   HH21  ARG  51          1HH2      ARG  51 -13.887   9.351   3.539
  440   HH22  ARG  51          2HH2      ARG  51 -14.423   7.901   4.333
  441    H    LYS  52           H        LYS  52 -12.690  11.843  -2.430
  442    HA   LYS  52           HA       LYS  52 -13.017  14.339  -0.900
  443    HB2  LYS  52           1HB      LYS  52 -12.800  14.038  -3.906
  444    HB3  LYS  52           2HB      LYS  52 -13.257  15.524  -3.084
  445    HG2  LYS  52           1HG      LYS  52 -11.122  15.853  -2.222
  446    HG3  LYS  52           2HG      LYS  52 -10.667  14.165  -2.460
  447    HD2  LYS  52           1HD      LYS  52 -11.348  15.864  -4.821
  448    HD3  LYS  52           2HD      LYS  52  -9.759  16.010  -4.070
  449    HE2  LYS  52           1HE      LYS  52  -9.645  14.436  -5.897
  450    HE3  LYS  52           2HE      LYS  52  -9.425  13.584  -4.372
  451    HZ1  LYS  52           3HZ      LYS  52 -11.665  12.788  -4.483
  452    HZ2  LYS  52           1HZ      LYS  52 -10.902  12.426  -5.949
  453    HZ3  LYS  52           2HZ      LYS  52 -11.996  13.719  -5.855
  Start of MODEL   17
    1    H1   MET   1           1H       MET   1 -12.723  -7.948   5.980
    2    H2   MET   1           2H       MET   1 -12.490  -9.348   6.908
    3    H3   MET   1           3H       MET   1 -13.957  -9.109   6.090
    4    HA   MET   1           HA       MET   1 -12.680 -10.703   4.907
    5    HB2  MET   1           1HB      MET   1 -12.873  -7.977   3.644
    6    HB3  MET   1           2HB      MET   1 -12.273  -9.361   2.743
    7    HG2  MET   1           1HG      MET   1 -14.973  -9.165   4.049
    8    HG3  MET   1           2HG      MET   1 -14.639  -8.940   2.332
    9    HE1  MET   1           3HE      MET   1 -16.488 -12.359   2.324
   10    HE2  MET   1           1HE      MET   1 -16.378 -10.764   1.584
   11    HE3  MET   1           2HE      MET   1 -16.838 -10.918   3.279
   12    H    LYS   2           H        LYS   2 -10.823 -10.787   3.239
   13    HA   LYS   2           HA       LYS   2  -8.388  -9.601   4.396
   14    HB2  LYS   2           1HB      LYS   2  -8.956 -12.408   3.509
   15    HB3  LYS   2           2HB      LYS   2  -7.316 -11.780   3.426
   16    HG2  LYS   2           1HG      LYS   2  -7.106 -11.653   5.706
   17    HG3  LYS   2           2HG      LYS   2  -8.847 -11.528   5.966
   18    HD2  LYS   2           1HD      LYS   2  -7.574 -14.026   4.883
   19    HD3  LYS   2           2HD      LYS   2  -7.718 -13.725   6.618
   20    HE2  LYS   2           1HE      LYS   2 -10.052 -13.641   4.709
   21    HE3  LYS   2           2HE      LYS   2  -9.576 -15.089   5.602
   22    HZ1  LYS   2           3HZ      LYS   2 -11.375 -13.674   6.624
   23    HZ2  LYS   2           1HZ      LYS   2 -10.178 -12.521   6.952
   24    HZ3  LYS   2           2HZ      LYS   2 -10.078 -14.066   7.642
   25    H    GLN   3           H        GLN   3  -7.215  -8.477   3.032
   26    HA   GLN   3           HA       GLN   3  -7.633  -8.860   0.129
   27    HB2  GLN   3           1HB      GLN   3  -7.242  -6.236   1.590
   28    HB3  GLN   3           2HB      GLN   3  -7.374  -6.425  -0.153
   29    HG2  GLN   3           1HG      GLN   3  -9.648  -7.126   0.027
   30    HG3  GLN   3           2HG      GLN   3  -9.538  -7.203   1.784
   31   HE21  GLN   3          1HE2      GLN   3  -9.840  -5.133  -0.990
   32   HE22  GLN   3          2HE2      GLN   3 -10.251  -3.698  -0.113
   33    H    TRP   4           H        TRP   4  -5.512  -7.157   2.414
   34    HA   TRP   4           HA       TRP   4  -3.199  -8.045   0.859
   35    HB2  TRP   4           1HB      TRP   4  -2.125  -6.439   2.753
   36    HB3  TRP   4           2HB      TRP   4  -2.687  -5.857   1.195
   37    HD1  TRP   4           HD1      TRP   4  -4.137  -3.790   1.388
   38    HE1  TRP   4           HE1      TRP   4  -5.740  -2.784   3.133
   39    HE3  TRP   4           HE3      TRP   4  -3.831  -7.434   4.952
   40    HZ2  TRP   4           HZ2      TRP   4  -6.743  -3.454   5.678
   41    HZ3  TRP   4           HZ3      TRP   4  -5.144  -7.173   7.015
   42    HH2  TRP   4           HH2      TRP   4  -6.565  -5.224   7.370
   43    H    SER   5           H        SER   5  -1.225  -8.401   2.397
   44    HA   SER   5           HA       SER   5  -1.939 -10.365   4.386
   45    HB2  SER   5           1HB      SER   5   0.771  -9.251   3.631
   46    HB3  SER   5           2HB      SER   5   0.479 -10.656   4.655
   47    HG   SER   5           HG       SER   5   0.753 -11.579   2.741
   48    H    GLU   6           H        GLU   6  -2.332  -9.872   6.439
   49    HA   GLU   6           HA       GLU   6  -2.644  -7.573   7.715
   50    HB2  GLU   6           1HB      GLU   6  -3.018  -9.705   8.801
   51    HB3  GLU   6           2HB      GLU   6  -1.291 -10.013   8.880
   52    HG2  GLU   6           1HG      GLU   6  -2.026  -9.365  11.042
   53    HG3  GLU   6           2HG      GLU   6  -1.067  -8.044  10.377
   54    H    ASN   7           H        ASN   7   0.559  -9.160   7.756
   55    HA   ASN   7           HA       ASN   7   1.804  -7.085   9.203
   56    HB2  ASN   7           1HB      ASN   7   3.019  -9.219   7.455
   57    HB3  ASN   7           2HB      ASN   7   3.937  -8.171   8.530
   58   HD21  ASN   7          1HD2      ASN   7   3.626  -8.364  10.780
   59   HD22  ASN   7          2HD2      ASN   7   3.032  -9.840  11.473
   60    H    VAL   8           H        VAL   8   1.160  -7.460   5.831
   61    HA   VAL   8           HA       VAL   8   3.224  -5.630   4.995
   62    HB   VAL   8           HB       VAL   8   0.887  -6.659   3.379
   63   HG11  VAL   8          1HG1      VAL   8   3.464  -5.282   2.675
   64   HG12  VAL   8          2HG1      VAL   8   1.813  -4.754   2.342
   65   HG13  VAL   8          3HG1      VAL   8   2.477  -6.148   1.501
   66   HG21  VAL   8          3HG2      VAL   8   3.704  -7.742   3.579
   67   HG22  VAL   8          1HG2      VAL   8   2.439  -8.325   2.496
   68   HG23  VAL   8          2HG2      VAL   8   2.261  -8.509   4.241
   69    H    GLU   9           H        GLU   9  -0.276  -5.541   5.485
   70    HA   GLU   9           HA       GLU   9  -0.909  -3.052   4.487
   71    HB2  GLU   9           1HB      GLU   9  -2.580  -4.554   5.391
   72    HB3  GLU   9           2HB      GLU   9  -1.886  -4.420   6.997
   73    HG2  GLU   9           1HG      GLU   9  -2.885  -1.954   5.660
   74    HG3  GLU   9           2HG      GLU   9  -4.049  -3.102   6.319
   75    H    GLU  10           H        GLU  10   0.302  -3.872   7.684
   76    HA   GLU  10           HA       GLU  10   0.545  -1.383   8.826
   77    HB2  GLU  10           1HB      GLU  10   0.929  -3.291  10.163
   78    HB3  GLU  10           2HB      GLU  10   2.175  -3.897   9.082
   79    HG2  GLU  10           1HG      GLU  10   3.656  -2.100   9.744
   80    HG3  GLU  10           2HG      GLU  10   2.403  -1.430  10.787
   81    H    LYS  11           H        LYS  11   3.177  -3.148   7.171
   82    HA   LYS  11           HA       LYS  11   4.949  -0.953   7.391
   83    HB2  LYS  11           1HB      LYS  11   5.679  -3.314   7.266
   84    HB3  LYS  11           2HB      LYS  11   5.199  -3.349   5.574
   85    HG2  LYS  11           1HG      LYS  11   6.854  -1.721   4.999
   86    HG3  LYS  11           2HG      LYS  11   7.243  -1.444   6.697
   87    HD2  LYS  11           1HD      LYS  11   7.700  -3.986   5.135
   88    HD3  LYS  11           2HD      LYS  11   8.937  -2.838   5.655
   89    HE2  LYS  11           1HE      LYS  11   8.249  -3.298   8.017
   90    HE3  LYS  11           2HE      LYS  11   7.194  -4.570   7.404
   91    HZ1  LYS  11           3HZ      LYS  11   9.270  -5.510   6.336
   92    HZ2  LYS  11           1HZ      LYS  11   9.159  -5.635   8.025
   93    HZ3  LYS  11           2HZ      LYS  11  10.147  -4.447   7.323
   94    H    LEU  12           H        LEU  12   2.723  -1.960   4.874
   95    HA   LEU  12           HA       LEU  12   3.856  -0.378   2.797
   96    HB2  LEU  12           1HB      LEU  12   2.124  -2.279   2.625
   97    HB3  LEU  12           2HB      LEU  12   0.934  -1.047   2.999
   98    HG   LEU  12           HG       LEU  12   2.034   0.228   0.999
   99   HD11  LEU  12          1HD1      LEU  12   3.891  -1.250   0.636
  100   HD12  LEU  12          2HD1      LEU  12   2.812  -1.332  -0.758
  101   HD13  LEU  12          3HD1      LEU  12   2.809  -2.626   0.439
  102   HD21  LEU  12          3HD2      LEU  12  -0.260  -0.469   0.996
  103   HD22  LEU  12          1HD2      LEU  12   0.205  -2.138   0.680
  104   HD23  LEU  12          2HD2      LEU  12   0.471  -0.905  -0.549
  105    H    LYS  13           H        LYS  13   1.152   0.145   5.042
  106    HA   LYS  13           HA       LYS  13   0.483   2.734   4.260
  107    HB2  LYS  13           1HB      LYS  13  -0.951   1.490   5.744
  108    HB3  LYS  13           2HB      LYS  13   0.314   1.377   6.954
  109    HG2  LYS  13           1HG      LYS  13  -0.661   4.069   6.140
  110    HG3  LYS  13           2HG      LYS  13  -1.656   3.084   7.208
  111    HD2  LYS  13           1HD      LYS  13   1.199   3.937   7.693
  112    HD3  LYS  13           2HD      LYS  13  -0.237   4.564   8.506
  113    HE2  LYS  13           1HE      LYS  13   0.615   1.670   8.605
  114    HE3  LYS  13           2HE      LYS  13   1.071   2.865   9.820
  115    HZ1  LYS  13           3HZ      LYS  13  -0.866   1.567  10.481
  116    HZ2  LYS  13           1HZ      LYS  13  -1.719   2.110   9.122
  117    HZ3  LYS  13           2HZ      LYS  13  -1.248   3.208  10.331
  118    H    GLU  14           H        GLU  14   2.873   1.590   6.599
  119    HA   GLU  14           HA       GLU  14   3.724   4.189   7.360
  120    HB2  GLU  14           1HB      GLU  14   5.156   1.542   7.592
  121    HB3  GLU  14           2HB      GLU  14   5.632   3.031   8.400
  122    HG2  GLU  14           1HG      GLU  14   3.336   3.028   9.464
  123    HG3  GLU  14           2HG      GLU  14   3.161   1.385   8.850
  124    H    PHE  15           H        PHE  15   4.673   1.964   4.826
  125    HA   PHE  15           HA       PHE  15   7.080   3.236   4.084
  126    HB2  PHE  15           1HB      PHE  15   5.528   1.042   3.181
  127    HB3  PHE  15           2HB      PHE  15   5.782   2.095   1.795
  128    HD1  PHE  15           HD1      PHE  15   7.858   1.078   4.710
  129    HD2  PHE  15           HD2      PHE  15   7.546   1.290   0.463
  130    HE1  PHE  15           HE1      PHE  15  10.120   0.148   4.496
  131    HE2  PHE  15           HE2      PHE  15   9.809   0.370   0.251
  132    HZ   PHE  15           HZ       PHE  15  11.102  -0.206   2.265
  133    H    VAL  16           H        VAL  16   3.735   3.925   3.373
  134    HA   VAL  16           HA       VAL  16   4.466   5.857   1.317
  135    HB   VAL  16           HB       VAL  16   1.718   5.202   2.402
  136   HG11  VAL  16          1HG1      VAL  16   0.903   6.263   0.359
  137   HG12  VAL  16          2HG1      VAL  16   2.557   6.645  -0.111
  138   HG13  VAL  16          3HG1      VAL  16   1.854   7.394   1.323
  139   HG21  VAL  16          3HG2      VAL  16   2.744   3.238   1.390
  140   HG22  VAL  16          1HG2      VAL  16   3.123   4.169  -0.060
  141   HG23  VAL  16          2HG2      VAL  16   1.442   3.854   0.372
  142    H    LYS  17           H        LYS  17   3.188   5.795   4.615
  143    HA   LYS  17           HA       LYS  17   2.809   8.682   4.607
  144    HB2  LYS  17           1HB      LYS  17   2.342   6.691   6.830
  145    HB3  LYS  17           2HB      LYS  17   1.845   8.376   6.825
  146    HG2  LYS  17           1HG      LYS  17   0.874   6.275   4.909
  147    HG3  LYS  17           2HG      LYS  17  -0.003   6.833   6.332
  148    HD2  LYS  17           1HD      LYS  17   0.805   8.540   3.968
  149    HD3  LYS  17           2HD      LYS  17  -0.815   7.916   4.277
  150    HE2  LYS  17           1HE      LYS  17  -0.979   9.232   6.304
  151    HE3  LYS  17           2HE      LYS  17   0.689   9.771   6.125
  152    HZ1  LYS  17           3HZ      LYS  17   0.052  10.890   4.064
  153    HZ2  LYS  17           1HZ      LYS  17  -0.841  11.467   5.386
  154    HZ3  LYS  17           2HZ      LYS  17  -1.560  10.400   4.284
  155    H    ARG  18           H        ARG  18   4.825   6.314   6.331
  156    HA   ARG  18           HA       ARG  18   6.039   8.516   7.836
  157    HB2  ARG  18           1HB      ARG  18   6.020   5.534   8.307
  158    HB3  ARG  18           2HB      ARG  18   6.884   6.687   9.317
  159    HG2  ARG  18           1HG      ARG  18   4.843   7.733   9.991
  160    HG3  ARG  18           2HG      ARG  18   3.920   6.784   8.826
  161    HD2  ARG  18           1HD      ARG  18   4.339   4.768  10.025
  162    HD3  ARG  18           2HD      ARG  18   5.485   5.577  11.098
  163    HE   ARG  18           HE       ARG  18   3.092   6.926  11.387
  164   HH11  ARG  18          1HH1      ARG  18   4.229   3.634  11.901
  165   HH12  ARG  18          2HH1      ARG  18   3.103   3.334  13.195
  166   HH21  ARG  18          1HH2      ARG  18   1.620   6.502  13.061
  167   HH22  ARG  18          2HH2      ARG  18   1.594   4.944  13.822
  168    H    HIS  19           H        HIS  19   6.757   6.181   5.409
  169    HA   HIS  19           HA       HIS  19   9.622   6.299   5.823
  170    HB2  HIS  19           1HB      HIS  19   8.316   4.226   5.131
  171    HB3  HIS  19           2HB      HIS  19   8.145   4.972   3.550
  172    HD1  HIS  19           HD1      HIS  19  10.802   3.524   5.838
  173    HD2  HIS  19           HD2      HIS  19  10.301   4.729   1.886
  174    HE1  HIS  19           HE1      HIS  19  12.842   2.714   4.578
  175    H    GLN  20           H        GLN  20   8.362   8.777   5.219
  176    HA   GLN  20           HA       GLN  20   8.721  10.658   4.011
  177    HB2  GLN  20           1HB      GLN  20  10.997   8.999   2.938
  178    HB3  GLN  20           2HB      GLN  20  10.798  10.716   2.610
  179    HG2  GLN  20           1HG      GLN  20  11.057  11.241   4.940
  180    HG3  GLN  20           2HG      GLN  20  11.072   9.528   5.360
  181   HE21  GLN  20          1HE2      GLN  20  12.876  12.149   3.946
  182   HE22  GLN  20          2HE2      GLN  20  14.414  11.355   3.963
  183    H    ARG  21           H        ARG  21   7.175   8.271   2.883
  184    HA   ARG  21           HA       ARG  21   5.830   7.849   1.130
  185    HB2  ARG  21           1HB      ARG  21   5.256  10.199   1.128
  186    HB3  ARG  21           2HB      ARG  21   6.695  10.586   0.195
  187    HG2  ARG  21           1HG      ARG  21   5.835   9.338  -1.699
  188    HG3  ARG  21           2HG      ARG  21   4.410   8.877  -0.768
  189    HD2  ARG  21           1HD      ARG  21   3.701  11.175  -0.630
  190    HD3  ARG  21           2HD      ARG  21   5.185  11.718  -1.414
  191    HE   ARG  21           HE       ARG  21   4.369  10.364  -3.389
  192   HH11  ARG  21          1HH1      ARG  21   2.176  11.811  -1.073
  193   HH12  ARG  21          2HH1      ARG  21   0.863  11.956  -2.209
  194   HH21  ARG  21          1HH2      ARG  21   2.656  10.562  -4.885
  195   HH22  ARG  21          2HH2      ARG  21   1.145  11.242  -4.374
  196    H    ILE  22           H        ILE  22   6.786   6.123   0.261
  197    HA   ILE  22           HA       ILE  22   8.953   6.275  -1.596
  198    HB   ILE  22           HB       ILE  22   8.421   4.215  -0.280
  199   HG12  ILE  22          1HG1      ILE  22   8.383   3.806  -3.278
  200   HG13  ILE  22          2HG1      ILE  22   9.824   4.121  -2.317
  201   HG21  ILE  22          1HG2      ILE  22   6.109   3.961  -0.286
  202   HG22  ILE  22          2HG2      ILE  22   6.648   2.713  -1.407
  203   HG23  ILE  22          3HG2      ILE  22   5.989   4.225  -2.026
  204   HD11  ILE  22          3HD1      ILE  22   9.469   2.028  -1.111
  205   HD12  ILE  22          1HD1      ILE  22   9.614   1.762  -2.848
  206   HD13  ILE  22          2HD1      ILE  22   8.027   1.717  -2.078
  207    H    THR  23           H        THR  23   8.883   6.143  -3.860
  208    HA   THR  23           HA       THR  23   6.707   7.375  -5.161
  209    HB   THR  23           HB       THR  23   8.193   6.046  -7.108
  210    HG1  THR  23           HG1      THR  23  10.064   5.639  -6.151
  211   HG21  THR  23          3HG2      THR  23   8.538   8.815  -5.952
  212   HG22  THR  23          1HG2      THR  23   7.397   8.354  -7.216
  213   HG23  THR  23          2HG2      THR  23   9.132   8.279  -7.524
  214    H    GLN  24           H        GLN  24   5.360   6.509  -6.836
  215    HA   GLN  24           HA       GLN  24   3.898   4.337  -5.790
  216    HB2  GLN  24           1HB      GLN  24   2.825   6.201  -6.948
  217    HB3  GLN  24           2HB      GLN  24   3.602   5.731  -8.455
  218    HG2  GLN  24           1HG      GLN  24   2.379   3.625  -8.435
  219    HG3  GLN  24           2HG      GLN  24   1.617   4.077  -6.911
  220   HE21  GLN  24          1HE2      GLN  24   0.411   3.442  -9.482
  221   HE22  GLN  24          2HE2      GLN  24  -0.551   4.821  -9.909
  222    H    GLU  25           H        GLU  25   6.040   4.551  -8.612
  223    HA   GLU  25           HA       GLU  25   5.325   2.081  -9.751
  224    HB2  GLU  25           1HB      GLU  25   6.731   3.958 -10.769
  225    HB3  GLU  25           2HB      GLU  25   8.086   3.279  -9.875
  226    HG2  GLU  25           1HG      GLU  25   8.067   2.501 -12.175
  227    HG3  GLU  25           2HG      GLU  25   7.812   1.161 -11.054
  228    H    GLU  26           H        GLU  26   7.792   2.960  -7.397
  229    HA   GLU  26           HA       GLU  26   8.798   0.310  -7.080
  230    HB2  GLU  26           1HB      GLU  26   9.051   2.762  -5.332
  231    HB3  GLU  26           2HB      GLU  26   9.937   1.263  -5.083
  232    HG2  GLU  26           1HG      GLU  26  11.106   1.526  -7.146
  233    HG3  GLU  26           2HG      GLU  26  10.095   2.895  -7.602
  234    H    LEU  27           H        LEU  27   6.352   2.277  -5.536
  235    HA   LEU  27           HA       LEU  27   5.750   0.722  -3.315
  236    HB2  LEU  27           1HB      LEU  27   4.804   2.982  -3.977
  237    HB3  LEU  27           2HB      LEU  27   3.732   2.131  -5.065
  238    HG   LEU  27           HG       LEU  27   2.717   2.847  -2.880
  239   HD11  LEU  27          1HD1      LEU  27   2.689  -0.102  -3.495
  240   HD12  LEU  27          2HD1      LEU  27   1.643   1.133  -4.198
  241   HD13  LEU  27          3HD1      LEU  27   1.518   0.744  -2.483
  242   HD21  LEU  27          3HD2      LEU  27   4.589   2.412  -1.419
  243   HD22  LEU  27          1HD2      LEU  27   4.522   0.690  -1.798
  244   HD23  LEU  27          2HD2      LEU  27   3.199   1.450  -0.909
  245    H    HIS  28           H        HIS  28   4.554   0.427  -6.661
  246    HA   HIS  28           HA       HIS  28   2.780  -1.701  -6.081
  247    HB2  HIS  28           1HB      HIS  28   2.643  -0.219  -8.110
  248    HB3  HIS  28           2HB      HIS  28   4.005  -1.118  -8.777
  249    HD1  HIS  28           HD1      HIS  28   3.491  -3.872  -8.875
  250    HD2  HIS  28           HD2      HIS  28   0.258  -1.263  -8.761
  251    HE1  HIS  28           HE1      HIS  28   1.479  -5.220  -9.544
  252    H    GLN  29           H        GLN  29   6.087  -1.687  -7.437
  253    HA   GLN  29           HA       GLN  29   6.140  -4.496  -7.803
  254    HB2  GLN  29           1HB      GLN  29   8.579  -4.258  -8.078
  255    HB3  GLN  29           2HB      GLN  29   7.676  -3.114  -9.054
  256    HG2  GLN  29           1HG      GLN  29   9.364  -1.793  -8.265
  257    HG3  GLN  29           2HG      GLN  29   8.123  -1.497  -7.053
  258   HE21  GLN  29          1HE2      GLN  29   9.940  -4.466  -7.222
  259   HE22  GLN  29          2HE2      GLN  29  10.845  -4.221  -5.768
  260    H    TYR  30           H        TYR  30   6.753  -2.448  -5.083
  261    HA   TYR  30           HA       TYR  30   7.954  -4.499  -3.472
  262    HB2  TYR  30           1HB      TYR  30   8.354  -2.049  -3.148
  263    HB3  TYR  30           2HB      TYR  30   6.689  -1.888  -2.604
  264    HD1  TYR  30           HD1      TYR  30   9.515  -4.227  -1.844
  265    HD2  TYR  30           HD2      TYR  30   6.523  -1.605  -0.327
  266    HE1  TYR  30           HE1      TYR  30  10.218  -4.761   0.449
  267    HE2  TYR  30           HE2      TYR  30   7.218  -2.138   1.968
  268    HH   TYR  30           HH       TYR  30   8.360  -3.886   3.180
  269    H    ALA  31           H        ALA  31   4.766  -3.617  -4.378
  270    HA   ALA  31           HA       ALA  31   3.399  -4.498  -2.039
  271    HB1  ALA  31           3HB      ALA  31   2.363  -2.942  -3.605
  272    HB2  ALA  31           1HB      ALA  31   1.385  -4.400  -3.443
  273    HB3  ALA  31           2HB      ALA  31   2.394  -4.172  -4.870
  274    H    GLN  32           H        GLN  32   3.793  -5.933  -5.263
  275    HA   GLN  32           HA       GLN  32   2.669  -8.436  -4.454
  276    HB2  GLN  32           1HB      GLN  32   4.251  -7.695  -6.916
  277    HB3  GLN  32           2HB      GLN  32   3.425  -9.228  -6.671
  278    HG2  GLN  32           1HG      GLN  32   1.287  -8.018  -6.497
  279    HG3  GLN  32           2HG      GLN  32   2.137  -6.512  -6.831
  280   HE21  GLN  32          1HE2      GLN  32   3.952  -7.849  -8.733
  281   HE22  GLN  32          2HE2      GLN  32   3.010  -8.075 -10.167
  282    H    ARG  33           H        ARG  33   5.767  -7.013  -4.251
  283    HA   ARG  33           HA       ARG  33   7.347  -9.339  -4.050
  284    HB2  ARG  33           1HB      ARG  33   8.362  -7.159  -4.311
  285    HB3  ARG  33           2HB      ARG  33   7.666  -6.608  -2.794
  286    HG2  ARG  33           1HG      ARG  33   9.042  -8.244  -1.585
  287    HG3  ARG  33           2HG      ARG  33   9.759  -8.751  -3.116
  288    HD2  ARG  33           1HD      ARG  33  10.723  -6.580  -3.453
  289    HD3  ARG  33           2HD      ARG  33   9.864  -5.931  -2.057
  290    HE   ARG  33           HE       ARG  33  11.456  -8.096  -1.222
  291   HH11  ARG  33          1HH1      ARG  33  11.818  -4.813  -2.416
  292   HH12  ARG  33          2HH1      ARG  33  13.280  -4.521  -1.514
  293   HH21  ARG  33          1HH2      ARG  33  13.385  -7.723  -0.076
  294   HH22  ARG  33          2HH2      ARG  33  14.199  -6.192  -0.224
  295    H    LEU  34           H        LEU  34   5.233  -7.696  -1.769
  296    HA   LEU  34           HA       LEU  34   6.181  -9.441   0.387
  297    HB2  LEU  34           1HB      LEU  34   4.422  -6.999   0.451
  298    HB3  LEU  34           2HB      LEU  34   4.823  -7.961   1.860
  299    HG   LEU  34           HG       LEU  34   6.754  -6.369   0.174
  300   HD11  LEU  34          1HD1      LEU  34   5.348  -5.018   1.636
  301   HD12  LEU  34          2HD1      LEU  34   7.019  -5.037   2.201
  302   HD13  LEU  34          3HD1      LEU  34   5.802  -6.023   3.013
  303   HD21  LEU  34          3HD2      LEU  34   8.444  -7.027   1.809
  304   HD22  LEU  34          1HD2      LEU  34   7.789  -8.432   0.970
  305   HD23  LEU  34          2HD2      LEU  34   7.267  -8.065   2.614
  306    H    GLY  35           H        GLY  35   3.615  -9.254  -1.835
  307    HA2  GLY  35           1HA      GLY  35   2.327 -11.378  -1.861
  308    HA3  GLY  35           2HA      GLY  35   2.105 -11.148  -0.137
  309    H    LEU  36           H        LEU  36   1.854  -8.346  -2.170
  310    HA   LEU  36           HA       LEU  36  -0.957  -8.223  -1.427
  311    HB2  LEU  36           1HB      LEU  36   0.680  -6.123  -2.834
  312    HB3  LEU  36           2HB      LEU  36  -0.904  -5.922  -2.104
  313    HG   LEU  36           HG       LEU  36   1.681  -6.451  -0.656
  314   HD11  LEU  36          1HD1      LEU  36   1.217  -4.258   0.355
  315   HD12  LEU  36          2HD1      LEU  36  -0.176  -4.082  -0.714
  316   HD13  LEU  36          3HD1      LEU  36   1.452  -4.165  -1.390
  317   HD21  LEU  36          3HD2      LEU  36   0.356  -6.284   1.397
  318   HD22  LEU  36          1HD2      LEU  36  -0.130  -7.665   0.415
  319   HD23  LEU  36          2HD2      LEU  36  -1.120  -6.205   0.433
  320    H    ASN  37           H        ASN  37  -2.570  -8.519  -2.721
  321    HA   ASN  37           HA       ASN  37  -2.164  -8.783  -5.586
  322    HB2  ASN  37           1HB      ASN  37  -4.447  -9.557  -5.674
  323    HB3  ASN  37           2HB      ASN  37  -3.631 -10.382  -4.357
  324   HD21  ASN  37          1HD2      ASN  37  -3.942  -7.665  -2.833
  325   HD22  ASN  37          2HD2      ASN  37  -5.549  -7.810  -2.207
  326    H    GLU  38           H        GLU  38  -3.845  -7.620  -7.002
  327    HA   GLU  38           HA       GLU  38  -3.321  -4.870  -6.747
  328    HB2  GLU  38           1HB      GLU  38  -5.344  -6.290  -8.480
  329    HB3  GLU  38           2HB      GLU  38  -4.865  -4.607  -8.663
  330    HG2  GLU  38           1HG      GLU  38  -2.552  -5.334  -9.078
  331    HG3  GLU  38           2HG      GLU  38  -3.081  -7.013  -8.965
  332    H    GLU  39           H        GLU  39  -6.027  -6.812  -5.747
  333    HA   GLU  39           HA       GLU  39  -7.995  -4.960  -5.185
  334    HB2  GLU  39           1HB      GLU  39  -8.315  -7.340  -4.906
  335    HB3  GLU  39           2HB      GLU  39  -7.090  -7.395  -3.647
  336    HG2  GLU  39           1HG      GLU  39  -9.290  -7.561  -2.682
  337    HG3  GLU  39           2HG      GLU  39  -8.534  -6.043  -2.202
  338    H    ALA  40           H        ALA  40  -5.275  -5.949  -3.151
  339    HA   ALA  40           HA       ALA  40  -5.939  -4.205  -0.988
  340    HB1  ALA  40           3HB      ALA  40  -3.334  -5.609  -1.581
  341    HB2  ALA  40           1HB      ALA  40  -4.675  -6.279  -0.651
  342    HB3  ALA  40           2HB      ALA  40  -3.800  -4.872  -0.047
  343    H    ILE  41           H        ILE  41  -3.931  -4.015  -3.810
  344    HA   ILE  41           HA       ILE  41  -2.426  -1.740  -3.054
  345    HB   ILE  41           HB       ILE  41  -3.065  -2.695  -5.852
  346   HG12  ILE  41          1HG1      ILE  41  -0.803  -3.481  -3.997
  347   HG13  ILE  41          2HG1      ILE  41  -2.150  -4.518  -4.471
  348   HG21  ILE  41          1HG2      ILE  41  -0.930  -1.624  -6.432
  349   HG22  ILE  41          2HG2      ILE  41  -0.786  -1.045  -4.773
  350   HG23  ILE  41          3HG2      ILE  41  -2.101  -0.468  -5.797
  351   HD11  ILE  41          3HD1      ILE  41  -0.112  -5.050  -5.690
  352   HD12  ILE  41          1HD1      ILE  41  -0.049  -3.406  -6.323
  353   HD13  ILE  41          2HD1      ILE  41  -1.377  -4.476  -6.777
  354    H    ARG  42           H        ARG  42  -5.238  -2.214  -5.131
  355    HA   ARG  42           HA       ARG  42  -5.878   0.456  -5.659
  356    HB2  ARG  42           1HB      ARG  42  -6.993  -1.079  -6.975
  357    HB3  ARG  42           2HB      ARG  42  -7.342  -2.148  -5.629
  358    HG2  ARG  42           1HG      ARG  42  -9.001  -0.446  -4.838
  359    HG3  ARG  42           2HG      ARG  42  -8.729   0.406  -6.361
  360    HD2  ARG  42           1HD      ARG  42  -9.605  -1.348  -7.636
  361    HD3  ARG  42           2HD      ARG  42  -9.465  -2.499  -6.308
  362    HE   ARG  42           HE       ARG  42 -11.221  -0.461  -5.522
  363   HH11  ARG  42          1HH1      ARG  42 -11.075  -3.049  -7.897
  364   HH12  ARG  42          2HH1      ARG  42 -12.787  -3.346  -7.856
  365   HH21  ARG  42          1HH2      ARG  42 -13.466  -0.862  -5.473
  366   HH22  ARG  42          2HH2      ARG  42 -14.156  -2.085  -6.506
  367    H    GLN  43           H        GLN  43  -6.652  -1.634  -2.948
  368    HA   GLN  43           HA       GLN  43  -8.606  -0.161  -1.650
  369    HB2  GLN  43           1HB      GLN  43  -7.787  -2.484  -1.115
  370    HB3  GLN  43           2HB      GLN  43  -6.402  -1.759  -0.314
  371    HG2  GLN  43           1HG      GLN  43  -9.162  -0.997   0.527
  372    HG3  GLN  43           2HG      GLN  43  -8.479  -2.534   1.050
  373   HE21  GLN  43          1HE2      GLN  43  -5.753  -1.388   1.107
  374   HE22  GLN  43          2HE2      GLN  43  -5.688  -0.408   2.535
  375    H    PHE  44           H        PHE  44  -5.100   0.272  -1.636
  376    HA   PHE  44           HA       PHE  44  -5.160   2.307   0.391
  377    HB2  PHE  44           1HB      PHE  44  -3.090   1.010  -1.311
  378    HB3  PHE  44           2HB      PHE  44  -2.728   2.591  -0.646
  379    HD1  PHE  44           HD1      PHE  44  -3.527  -0.903   0.197
  380    HD2  PHE  44           HD2      PHE  44  -2.240   2.881   1.652
  381    HE1  PHE  44           HE1      PHE  44  -2.873  -1.950   2.328
  382    HE2  PHE  44           HE2      PHE  44  -1.584   1.846   3.787
  383    HZ   PHE  44           HZ       PHE  44  -1.899  -0.571   4.129
  384    H    PHE  45           H        PHE  45  -4.820   2.272  -3.156
  385    HA   PHE  45           HA       PHE  45  -4.195   5.068  -3.202
  386    HB2  PHE  45           1HB      PHE  45  -4.629   3.038  -5.369
  387    HB3  PHE  45           2HB      PHE  45  -4.386   4.744  -5.728
  388    HD1  PHE  45           HD1      PHE  45  -2.334   5.609  -3.948
  389    HD2  PHE  45           HD2      PHE  45  -2.745   1.864  -5.923
  390    HE1  PHE  45           HE1      PHE  45   0.103   5.297  -3.851
  391    HE2  PHE  45           HE2      PHE  45  -0.307   1.543  -5.826
  392    HZ   PHE  45           HZ       PHE  45   1.119   3.260  -4.791
  393    H    GLU  46           H        GLU  46  -7.073   3.185  -4.204
  394    HA   GLU  46           HA       GLU  46  -8.287   5.451  -5.425
  395    HB2  GLU  46           1HB      GLU  46 -10.062   4.082  -5.967
  396    HB3  GLU  46           2HB      GLU  46  -8.761   2.919  -5.786
  397    HG2  GLU  46           1HG      GLU  46  -9.555   2.219  -3.671
  398    HG3  GLU  46           2HG      GLU  46 -10.704   3.555  -3.595
  399    H    GLU  47           H        GLU  47  -8.590   3.987  -2.238
  400    HA   GLU  47           HA       GLU  47 -10.551   6.010  -1.470
  401    HB2  GLU  47           1HB      GLU  47  -9.484   3.614  -0.001
  402    HB3  GLU  47           2HB      GLU  47 -10.612   4.766   0.695
  403    HG2  GLU  47           1HG      GLU  47 -12.157   4.224  -1.222
  404    HG3  GLU  47           2HG      GLU  47 -11.070   2.887  -1.593
  405    H    PHE  48           H        PHE  48  -7.629   6.567  -1.957
  406    HA   PHE  48           HA       PHE  48  -6.354   7.016   0.507
  407    HB2  PHE  48           1HB      PHE  48  -5.442   7.112  -1.976
  408    HB3  PHE  48           2HB      PHE  48  -5.824   8.823  -1.805
  409    HD1  PHE  48           HD1      PHE  48  -4.042   6.097   0.006
  410    HD2  PHE  48           HD2      PHE  48  -4.230  10.239  -0.967
  411    HE1  PHE  48           HE1      PHE  48  -1.919   6.474   1.193
  412    HE2  PHE  48           HE2      PHE  48  -2.111  10.619   0.220
  413    HZ   PHE  48           HZ       PHE  48  -0.954   8.735   1.303
  414    H    GLU  49           H        GLU  49  -5.807   9.174   1.365
  415    HA   GLU  49           HA       GLU  49  -8.194  10.306   2.322
  416    HB2  GLU  49           1HB      GLU  49  -6.715  11.808   3.580
  417    HB3  GLU  49           2HB      GLU  49  -6.172  10.138   3.668
  418    HG2  GLU  49           1HG      GLU  49  -4.559  10.679   1.811
  419    HG3  GLU  49           2HG      GLU  49  -4.994  12.372   2.039
  420    H    GLN  50           H        GLN  50  -6.403  11.029  -0.471
  421    HA   GLN  50           HA       GLN  50  -7.319  13.806  -0.541
  422    HB2  GLN  50           1HB      GLN  50  -5.384  12.364  -2.357
  423    HB3  GLN  50           2HB      GLN  50  -5.762  14.079  -2.413
  424    HG2  GLN  50           1HG      GLN  50  -4.492  12.665  -0.082
  425    HG3  GLN  50           2HG      GLN  50  -3.625  13.596  -1.301
  426   HE21  GLN  50          1HE2      GLN  50  -5.724  15.618  -1.482
  427   HE22  GLN  50          2HE2      GLN  50  -5.580  16.583  -0.052
  428    H    ARG  51           H        ARG  51  -8.491  10.879  -1.482
  429    HA   ARG  51           HA       ARG  51  -9.617  11.953  -3.985
  430    HB2  ARG  51           1HB      ARG  51  -8.950   9.116  -3.222
  431    HB3  ARG  51           2HB      ARG  51  -9.966   9.519  -4.597
  432    HG2  ARG  51           1HG      ARG  51  -8.106  10.829  -5.544
  433    HG3  ARG  51           2HG      ARG  51  -7.098  10.316  -4.191
  434    HD2  ARG  51           1HD      ARG  51  -7.305   8.009  -4.845
  435    HD3  ARG  51           2HD      ARG  51  -8.451   8.435  -6.116
  436    HE   ARG  51           HE       ARG  51  -5.917   9.764  -6.395
  437   HH11  ARG  51          1HH1      ARG  51  -7.719   6.842  -7.075
  438   HH12  ARG  51          2HH1      ARG  51  -6.715   6.368  -8.407
  439   HH21  ARG  51          1HH2      ARG  51  -4.593   9.160  -8.169
  440   HH22  ARG  51          2HH2      ARG  51  -4.944   7.691  -9.038
  441    H    LYS  52           H        LYS  52 -11.639  12.518  -3.819
  442    HA   LYS  52           HA       LYS  52 -13.642  10.681  -3.128
  443    HB2  LYS  52           1HB      LYS  52 -14.681  12.001  -1.249
  444    HB3  LYS  52           2HB      LYS  52 -13.238  11.094  -0.837
  445    HG2  LYS  52           1HG      LYS  52 -11.920  13.150  -0.940
  446    HG3  LYS  52           2HG      LYS  52 -13.377  14.059  -1.353
  447    HD2  LYS  52           1HD      LYS  52 -12.966  12.466   1.178
  448    HD3  LYS  52           2HD      LYS  52 -12.835  14.221   1.047
  449    HE2  LYS  52           1HE      LYS  52 -15.152  14.430   0.529
  450    HE3  LYS  52           2HE      LYS  52 -15.326  12.687   0.328
  451    HZ1  LYS  52           3HZ      LYS  52 -14.568  13.947   2.904
  452    HZ2  LYS  52           1HZ      LYS  52 -15.062  12.348   2.631
  453    HZ3  LYS  52           2HZ      LYS  52 -16.174  13.613   2.473
  Start of MODEL   18
    1    H1   MET   1           1H       MET   1 -10.460  -5.397   9.016
    2    H2   MET   1           2H       MET   1 -11.623  -6.443   9.663
    3    H3   MET   1           3H       MET   1 -11.493  -6.255   7.980
    4    HA   MET   1           HA       MET   1  -9.440  -7.418   9.776
    5    HB2  MET   1           1HB      MET   1  -9.989  -9.564   8.860
    6    HB3  MET   1           2HB      MET   1 -11.531  -8.825   9.281
    7    HG2  MET   1           1HG      MET   1 -11.929  -8.253   6.972
    8    HG3  MET   1           2HG      MET   1 -10.335  -8.859   6.518
    9    HE1  MET   1           3HE      MET   1 -11.491 -10.333   4.620
   10    HE2  MET   1           1HE      MET   1 -13.078  -9.742   5.110
   11    HE3  MET   1           2HE      MET   1 -12.797 -11.475   4.931
   12    H    LYS   2           H        LYS   2  -7.948  -8.796   8.257
   13    HA   LYS   2           HA       LYS   2  -6.490  -6.988   6.687
   14    HB2  LYS   2           1HB      LYS   2  -5.219  -9.027   5.980
   15    HB3  LYS   2           2HB      LYS   2  -5.357  -8.813   7.720
   16    HG2  LYS   2           1HG      LYS   2  -6.861 -10.569   7.941
   17    HG3  LYS   2           2HG      LYS   2  -7.290 -10.540   6.230
   18    HD2  LYS   2           1HD      LYS   2  -4.592 -11.338   7.312
   19    HD3  LYS   2           2HD      LYS   2  -5.865 -12.473   6.854
   20    HE2  LYS   2           1HE      LYS   2  -4.473 -10.495   5.052
   21    HE3  LYS   2           2HE      LYS   2  -4.279 -12.249   5.040
   22    HZ1  LYS   2           3HZ      LYS   2  -6.745 -10.737   4.366
   23    HZ2  LYS   2           1HZ      LYS   2  -6.648 -12.428   4.447
   24    HZ3  LYS   2           2HZ      LYS   2  -5.752 -11.578   3.280
   25    H    GLN   3           H        GLN   3  -6.747  -6.329   4.684
   26    HA   GLN   3           HA       GLN   3  -8.559  -7.772   2.884
   27    HB2  GLN   3           1HB      GLN   3  -7.205  -5.080   2.585
   28    HB3  GLN   3           2HB      GLN   3  -8.361  -5.765   1.445
   29    HG2  GLN   3           1HG      GLN   3  -8.919  -5.072   4.321
   30    HG3  GLN   3           2HG      GLN   3  -9.410  -4.133   2.911
   31   HE21  GLN   3          1HE2      GLN   3 -10.962  -5.522   5.051
   32   HE22  GLN   3          2HE2      GLN   3 -12.076  -6.540   4.202
   33    H    TRP   4           H        TRP   4  -5.238  -6.612   3.085
   34    HA   TRP   4           HA       TRP   4  -4.493  -8.834   1.323
   35    HB2  TRP   4           1HB      TRP   4  -2.278  -7.436   1.147
   36    HB3  TRP   4           2HB      TRP   4  -3.649  -7.013   0.133
   37    HD1  TRP   4           HD1      TRP   4  -1.486  -5.661   2.931
   38    HE1  TRP   4           HE1      TRP   4  -2.085  -3.200   3.357
   39    HE3  TRP   4           HE3      TRP   4  -5.658  -5.347   0.034
   40    HZ2  TRP   4           HZ2      TRP   4  -4.070  -1.367   2.569
   41    HZ3  TRP   4           HZ3      TRP   4  -6.861  -3.201  -0.083
   42    HH2  TRP   4           HH2      TRP   4  -6.080  -1.250   1.162
   43    H    SER   5           H        SER   5  -1.833  -9.002   2.111
   44    HA   SER   5           HA       SER   5  -1.905 -10.439   4.450
   45    HB2  SER   5           1HB      SER   5   0.023 -10.532   2.962
   46    HB3  SER   5           2HB      SER   5   0.445  -8.868   3.352
   47    HG   SER   5           HG       SER   5   1.578 -10.642   4.520
   48    H    GLU   6           H        GLU   6  -2.256  -9.936   6.497
   49    HA   GLU   6           HA       GLU   6  -3.037  -7.379   7.293
   50    HB2  GLU   6           1HB      GLU   6  -3.738  -9.435   8.437
   51    HB3  GLU   6           2HB      GLU   6  -2.094  -9.677   9.017
   52    HG2  GLU   6           1HG      GLU   6  -2.272  -7.524  10.240
   53    HG3  GLU   6           2HG      GLU   6  -3.966  -7.438   9.752
   54    H    ASN   7           H        ASN   7   0.052  -9.027   7.604
   55    HA   ASN   7           HA       ASN   7   1.215  -6.993   9.228
   56    HB2  ASN   7           1HB      ASN   7   2.472  -9.242   7.674
   57    HB3  ASN   7           2HB      ASN   7   3.360  -8.179   8.760
   58   HD21  ASN   7          1HD2      ASN   7   1.155  -8.018  10.678
   59   HD22  ASN   7          2HD2      ASN   7   1.120  -9.542  11.497
   60    H    VAL   8           H        VAL   8   0.432  -7.189   6.006
   61    HA   VAL   8           HA       VAL   8   2.570  -5.379   5.172
   62    HB   VAL   8           HB       VAL   8   0.424  -6.850   3.664
   63   HG11  VAL   8          1HG1      VAL   8   2.341  -4.748   2.667
   64   HG12  VAL   8          2HG1      VAL   8   0.577  -4.689   2.638
   65   HG13  VAL   8          3HG1      VAL   8   1.437  -5.844   1.622
   66   HG21  VAL   8          3HG2      VAL   8   2.406  -7.828   2.528
   67   HG22  VAL   8          1HG2      VAL   8   2.305  -8.204   4.248
   68   HG23  VAL   8          2HG2      VAL   8   3.429  -6.972   3.681
   69    H    GLU   9           H        GLU   9  -0.904  -5.518   5.775
   70    HA   GLU   9           HA       GLU   9  -1.713  -3.015   4.908
   71    HB2  GLU   9           1HB      GLU   9  -2.481  -4.410   7.483
   72    HB3  GLU   9           2HB      GLU   9  -3.378  -3.090   6.740
   73    HG2  GLU   9           1HG      GLU   9  -3.615  -4.602   4.716
   74    HG3  GLU   9           2HG      GLU   9  -3.032  -5.901   5.755
   75    H    GLU  10           H        GLU  10  -0.254  -3.939   7.963
   76    HA   GLU  10           HA       GLU  10   0.076  -1.443   9.135
   77    HB2  GLU  10           1HB      GLU  10   0.448  -3.376  10.443
   78    HB3  GLU  10           2HB      GLU  10   1.611  -4.027   9.299
   79    HG2  GLU  10           1HG      GLU  10   3.202  -2.300   9.905
   80    HG3  GLU  10           2HG      GLU  10   2.031  -1.601  11.029
   81    H    LYS  11           H        LYS  11   2.536  -3.309   7.360
   82    HA   LYS  11           HA       LYS  11   4.443  -1.233   7.555
   83    HB2  LYS  11           1HB      LYS  11   5.007  -3.612   7.471
   84    HB3  LYS  11           2HB      LYS  11   4.449  -3.687   5.807
   85    HG2  LYS  11           1HG      LYS  11   6.234  -2.326   5.047
   86    HG3  LYS  11           2HG      LYS  11   6.668  -1.864   6.694
   87    HD2  LYS  11           1HD      LYS  11   6.817  -4.690   5.650
   88    HD3  LYS  11           2HD      LYS  11   8.182  -3.569   5.664
   89    HE2  LYS  11           1HE      LYS  11   8.033  -3.381   8.082
   90    HE3  LYS  11           2HE      LYS  11   6.617  -4.430   8.096
   91    HZ1  LYS  11           3HZ      LYS  11   9.254  -5.299   7.062
   92    HZ2  LYS  11           1HZ      LYS  11   7.909  -6.268   7.420
   93    HZ3  LYS  11           2HZ      LYS  11   8.775  -5.517   8.670
   94    H    LEU  12           H        LEU  12   2.061  -1.980   5.130
   95    HA   LEU  12           HA       LEU  12   3.166  -0.548   2.973
   96    HB2  LEU  12           1HB      LEU  12   1.135  -2.078   2.959
   97    HB3  LEU  12           2HB      LEU  12   0.229  -0.736   3.624
   98    HG   LEU  12           HG       LEU  12   0.776   0.600   1.608
   99   HD11  LEU  12          1HD1      LEU  12   2.845  -0.495   0.963
  100   HD12  LEU  12          2HD1      LEU  12   1.678  -0.569  -0.358
  101   HD13  LEU  12          3HD1      LEU  12   1.973  -1.992   0.637
  102   HD21  LEU  12          3HD2      LEU  12  -0.552  -2.053   1.068
  103   HD22  LEU  12          1HD2      LEU  12  -0.734  -0.589   0.105
  104   HD23  LEU  12          2HD2      LEU  12  -1.329  -0.632   1.765
  105    H    LYS  13           H        LYS  13   0.907   0.440   5.527
  106    HA   LYS  13           HA       LYS  13   0.785   3.167   4.864
  107    HB2  LYS  13           1HB      LYS  13  -0.795   2.118   6.388
  108    HB3  LYS  13           2HB      LYS  13   0.496   1.784   7.531
  109    HG2  LYS  13           1HG      LYS  13   0.831   4.275   7.709
  110    HG3  LYS  13           2HG      LYS  13  -0.659   4.452   6.782
  111    HD2  LYS  13           1HD      LYS  13  -1.066   4.598   9.200
  112    HD3  LYS  13           2HD      LYS  13  -1.893   3.220   8.471
  113    HE2  LYS  13           1HE      LYS  13  -0.005   1.774   9.204
  114    HE3  LYS  13           2HE      LYS  13   0.679   3.162  10.048
  115    HZ1  LYS  13           3HZ      LYS  13  -1.302   3.269  11.418
  116    HZ2  LYS  13           1HZ      LYS  13  -0.578   1.743  11.536
  117    HZ3  LYS  13           2HZ      LYS  13  -1.975   1.947  10.597
  118    H    GLU  14           H        GLU  14   2.971   1.325   6.911
  119    HA   GLU  14           HA       GLU  14   4.396   3.450   8.051
  120    HB2  GLU  14           1HB      GLU  14   5.439   0.698   7.359
  121    HB3  GLU  14           2HB      GLU  14   6.121   1.800   8.546
  122    HG2  GLU  14           1HG      GLU  14   3.383   0.564   8.706
  123    HG3  GLU  14           2HG      GLU  14   4.817  -0.027   9.546
  124    H    PHE  15           H        PHE  15   5.006   1.588   5.087
  125    HA   PHE  15           HA       PHE  15   7.482   2.972   4.609
  126    HB2  PHE  15           1HB      PHE  15   7.159   0.571   4.123
  127    HB3  PHE  15           2HB      PHE  15   5.980   0.994   2.891
  128    HD1  PHE  15           HD1      PHE  15   9.344   2.394   3.699
  129    HD2  PHE  15           HD2      PHE  15   6.864   0.443   0.846
  130    HE1  PHE  15           HE1      PHE  15  11.157   2.527   2.041
  131    HE2  PHE  15           HE2      PHE  15   8.673   0.562  -0.814
  132    HZ   PHE  15           HZ       PHE  15  10.821   1.609  -0.219
  133    H    VAL  16           H        VAL  16   4.179   3.205   3.441
  134    HA   VAL  16           HA       VAL  16   4.987   4.932   1.248
  135    HB   VAL  16           HB       VAL  16   2.230   4.081   2.146
  136   HG11  VAL  16          1HG1      VAL  16   1.426   4.991   0.031
  137   HG12  VAL  16          2HG1      VAL  16   3.049   5.570  -0.351
  138   HG13  VAL  16          3HG1      VAL  16   2.169   6.254   1.016
  139   HG21  VAL  16          3HG2      VAL  16   2.276   2.666   0.144
  140   HG22  VAL  16          1HG2      VAL  16   3.576   2.249   1.261
  141   HG23  VAL  16          2HG2      VAL  16   3.927   3.191  -0.187
  142    H    LYS  17           H        LYS  17   3.289   5.262   4.361
  143    HA   LYS  17           HA       LYS  17   2.933   8.113   3.793
  144    HB2  LYS  17           1HB      LYS  17   0.953   6.839   4.507
  145    HB3  LYS  17           2HB      LYS  17   1.764   6.434   6.016
  146    HG2  LYS  17           1HG      LYS  17   0.249   8.223   6.453
  147    HG3  LYS  17           2HG      LYS  17   1.887   8.872   6.526
  148    HD2  LYS  17           1HD      LYS  17   1.161   9.191   3.869
  149    HD3  LYS  17           2HD      LYS  17  -0.320   9.552   4.755
  150    HE2  LYS  17           1HE      LYS  17   2.376  10.858   5.124
  151    HE3  LYS  17           2HE      LYS  17   0.932  11.581   4.419
  152    HZ1  LYS  17           3HZ      LYS  17   1.246  10.714   7.246
  153    HZ2  LYS  17           1HZ      LYS  17  -0.178  11.343   6.572
  154    HZ3  LYS  17           2HZ      LYS  17   1.205  12.312   6.683
  155    H    ARG  18           H        ARG  18   4.454   5.967   6.164
  156    HA   ARG  18           HA       ARG  18   5.260   8.255   7.757
  157    HB2  ARG  18           1HB      ARG  18   5.397   5.294   8.165
  158    HB3  ARG  18           2HB      ARG  18   6.405   6.358   9.137
  159    HG2  ARG  18           1HG      ARG  18   4.415   7.559   9.894
  160    HG3  ARG  18           2HG      ARG  18   3.403   6.491   8.920
  161    HD2  ARG  18           1HD      ARG  18   3.815   4.654  10.288
  162    HD3  ARG  18           2HD      ARG  18   5.271   5.371  10.978
  163    HE   ARG  18           HE       ARG  18   3.579   7.051  11.973
  164   HH11  ARG  18          1HH1      ARG  18   2.897   3.638  11.448
  165   HH12  ARG  18          2HH1      ARG  18   1.859   3.527  12.840
  166   HH21  ARG  18          1HH2      ARG  18   2.221   6.875  13.778
  167   HH22  ARG  18          2HH2      ARG  18   1.492   5.346  14.174
  168    H    HIS  19           H        HIS  19   6.630   6.298   5.290
  169    HA   HIS  19           HA       HIS  19   9.337   7.165   5.923
  170    HB2  HIS  19           1HB      HIS  19   8.145   5.325   3.878
  171    HB3  HIS  19           2HB      HIS  19   9.759   5.978   3.623
  172    HD1  HIS  19           HD1      HIS  19   7.901   4.040   6.351
  173    HD2  HIS  19           HD2      HIS  19  11.694   4.501   4.713
  174    HE1  HIS  19           HE1      HIS  19   9.391   2.361   7.517
  175    H    GLN  20           H        GLN  20  10.210   7.482   3.196
  176    HA   GLN  20           HA       GLN  20   9.499  10.281   2.927
  177    HB2  GLN  20           1HB      GLN  20  11.404   8.670   1.221
  178    HB3  GLN  20           2HB      GLN  20  11.338  10.419   1.379
  179    HG2  GLN  20           1HG      GLN  20  12.165   8.454   3.502
  180    HG3  GLN  20           2HG      GLN  20  13.219   9.538   2.593
  181   HE21  GLN  20          1HE2      GLN  20  12.747   9.275   5.462
  182   HE22  GLN  20          2HE2      GLN  20  12.247  10.839   6.013
  183    H    ARG  21           H        ARG  21   7.465   8.329   2.319
  184    HA   ARG  21           HA       ARG  21   5.874   7.811   0.788
  185    HB2  ARG  21           1HB      ARG  21   7.071  10.043  -0.873
  186    HB3  ARG  21           2HB      ARG  21   5.459   9.363  -1.042
  187    HG2  ARG  21           1HG      ARG  21   4.790  10.255   1.081
  188    HG3  ARG  21           2HG      ARG  21   6.436  10.789   1.421
  189    HD2  ARG  21           1HD      ARG  21   5.244  12.709   0.727
  190    HD3  ARG  21           2HD      ARG  21   6.272  12.243  -0.624
  191    HE   ARG  21           HE       ARG  21   3.371  11.696  -0.483
  192   HH11  ARG  21          1HH1      ARG  21   6.286  12.345  -2.320
  193   HH12  ARG  21          2HH1      ARG  21   5.441  12.574  -3.824
  194   HH21  ARG  21          1HH2      ARG  21   2.245  12.044  -2.442
  195   HH22  ARG  21          2HH2      ARG  21   3.134  12.427  -3.887
  196    H    ILE  22           H        ILE  22   5.825   7.559  -1.943
  197    HA   ILE  22           HA       ILE  22   8.227   6.514  -3.024
  198    HB   ILE  22           HB       ILE  22   7.829   4.710  -1.414
  199   HG12  ILE  22          1HG1      ILE  22   7.214   3.818  -4.241
  200   HG13  ILE  22          2HG1      ILE  22   8.822   4.186  -3.628
  201   HG21  ILE  22          1HG2      ILE  22   5.424   4.936  -1.171
  202   HG22  ILE  22          2HG2      ILE  22   5.854   3.275  -1.585
  203   HG23  ILE  22          3HG2      ILE  22   5.189   4.348  -2.817
  204   HD11  ILE  22          3HD1      ILE  22   8.410   1.793  -3.703
  205   HD12  ILE  22          1HD1      ILE  22   7.022   1.992  -2.631
  206   HD13  ILE  22          2HD1      ILE  22   8.647   2.353  -2.047
  207    H    THR  23           H        THR  23   8.021   5.955  -5.193
  208    HA   THR  23           HA       THR  23   5.695   6.893  -6.564
  209    HB   THR  23           HB       THR  23   6.918   6.023  -8.594
  210    HG1  THR  23           HG1      THR  23   9.262   5.585  -7.961
  211   HG21  THR  23          3HG2      THR  23   8.693   7.721  -8.482
  212   HG22  THR  23          1HG2      THR  23   8.451   7.851  -6.740
  213   HG23  THR  23          2HG2      THR  23   7.168   8.337  -7.847
  214    H    GLN  24           H        GLN  24   4.404   5.593  -8.029
  215    HA   GLN  24           HA       GLN  24   3.460   3.261  -6.700
  216    HB2  GLN  24           1HB      GLN  24   2.009   4.888  -7.919
  217    HB3  GLN  24           2HB      GLN  24   2.683   4.294  -9.430
  218    HG2  GLN  24           1HG      GLN  24   1.807   2.067  -8.946
  219    HG3  GLN  24           2HG      GLN  24   1.129   2.667  -7.433
  220   HE21  GLN  24          1HE2      GLN  24   0.892   2.720 -10.904
  221   HE22  GLN  24          2HE2      GLN  24  -0.714   3.380 -10.979
  222    H    GLU  25           H        GLU  25   5.569   3.854  -9.400
  223    HA   GLU  25           HA       GLU  25   5.560   1.372 -10.666
  224    HB2  GLU  25           1HB      GLU  25   6.767   3.378 -11.478
  225    HB3  GLU  25           2HB      GLU  25   7.938   3.179 -10.183
  226    HG2  GLU  25           1HG      GLU  25   8.860   2.329 -12.215
  227    HG3  GLU  25           2HG      GLU  25   8.550   0.984 -11.118
  228    H    GLU  26           H        GLU  26   7.805   2.487  -8.137
  229    HA   GLU  26           HA       GLU  26   8.959  -0.060  -7.703
  230    HB2  GLU  26           1HB      GLU  26   9.973   2.179  -7.102
  231    HB3  GLU  26           2HB      GLU  26   8.853   2.243  -5.749
  232    HG2  GLU  26           1HG      GLU  26  10.931   1.479  -4.915
  233    HG3  GLU  26           2HG      GLU  26   9.835   0.100  -4.933
  234    H    LEU  27           H        LEU  27   6.250   1.663  -6.310
  235    HA   LEU  27           HA       LEU  27   5.801   0.057  -4.058
  236    HB2  LEU  27           1HB      LEU  27   4.761   2.317  -4.745
  237    HB3  LEU  27           2HB      LEU  27   3.610   1.363  -5.655
  238    HG   LEU  27           HG       LEU  27   2.873   2.159  -3.363
  239   HD11  LEU  27          1HD1      LEU  27   1.689   0.396  -4.546
  240   HD12  LEU  27          2HD1      LEU  27   1.729   0.070  -2.812
  241   HD13  LEU  27          3HD1      LEU  27   2.807  -0.804  -3.902
  242   HD21  LEU  27          3HD2      LEU  27   4.994   1.696  -2.203
  243   HD22  LEU  27          1HD2      LEU  27   4.743  -0.031  -2.454
  244   HD23  LEU  27          2HD2      LEU  27   3.631   0.884  -1.434
  245    H    HIS  28           H        HIS  28   4.776  -0.295  -7.429
  246    HA   HIS  28           HA       HIS  28   2.982  -2.415  -7.026
  247    HB2  HIS  28           1HB      HIS  28   3.203  -1.101  -9.162
  248    HB3  HIS  28           2HB      HIS  28   4.681  -2.000  -9.494
  249    HD1  HIS  28           HD1      HIS  28   3.994  -4.852  -9.086
  250    HD2  HIS  28           HD2      HIS  28   1.227  -2.158 -10.620
  251    HE1  HIS  28           HE1      HIS  28   2.238  -6.233 -10.245
  252    H    GLN  29           H        GLN  29   6.451  -2.410  -7.755
  253    HA   GLN  29           HA       GLN  29   6.719  -5.230  -7.823
  254    HB2  GLN  29           1HB      GLN  29   8.804  -3.137  -7.159
  255    HB3  GLN  29           2HB      GLN  29   9.139  -4.818  -7.559
  256    HG2  GLN  29           1HG      GLN  29   7.910  -2.752  -9.366
  257    HG3  GLN  29           2HG      GLN  29   9.541  -3.410  -9.470
  258   HE21  GLN  29          1HE2      GLN  29   8.722  -6.138  -8.869
  259   HE22  GLN  29          2HE2      GLN  29   7.897  -6.722 -10.281
  260    H    TYR  30           H        TYR  30   6.753  -2.873  -5.267
  261    HA   TYR  30           HA       TYR  30   7.763  -4.568  -3.228
  262    HB2  TYR  30           1HB      TYR  30   7.636  -2.003  -3.293
  263    HB3  TYR  30           2HB      TYR  30   5.954  -2.199  -2.810
  264    HD1  TYR  30           HD1      TYR  30   9.322  -3.449  -1.770
  265    HD2  TYR  30           HD2      TYR  30   5.513  -1.995  -0.553
  266    HE1  TYR  30           HE1      TYR  30  10.046  -3.547   0.577
  267    HE2  TYR  30           HE2      TYR  30   6.227  -2.084   1.801
  268    HH   TYR  30           HH       TYR  30   9.390  -2.359   2.766
  269    H    ALA  31           H        ALA  31   4.571  -3.972  -4.573
  270    HA   ALA  31           HA       ALA  31   3.086  -5.122  -2.443
  271    HB1  ALA  31           3HB      ALA  31   2.324  -4.788  -5.348
  272    HB2  ALA  31           1HB      ALA  31   1.988  -3.656  -4.036
  273    HB3  ALA  31           2HB      ALA  31   1.219  -5.245  -4.052
  274    H    GLN  32           H        GLN  32   4.294  -6.414  -5.504
  275    HA   GLN  32           HA       GLN  32   3.136  -8.976  -5.263
  276    HB2  GLN  32           1HB      GLN  32   5.560  -8.026  -6.796
  277    HB3  GLN  32           2HB      GLN  32   4.896  -9.647  -6.935
  278    HG2  GLN  32           1HG      GLN  32   3.358  -7.128  -7.538
  279    HG3  GLN  32           2HG      GLN  32   4.204  -8.098  -8.743
  280   HE21  GLN  32          1HE2      GLN  32   3.385 -10.103  -9.317
  281   HE22  GLN  32          2HE2      GLN  32   1.780 -10.608  -8.905
  282    H    ARG  33           H        ARG  33   6.216  -7.657  -4.202
  283    HA   ARG  33           HA       ARG  33   7.383  -9.994  -3.215
  284    HB2  ARG  33           1HB      ARG  33   8.695  -8.008  -3.378
  285    HB3  ARG  33           2HB      ARG  33   7.576  -7.108  -2.367
  286    HG2  ARG  33           1HG      ARG  33   8.208  -8.506  -0.447
  287    HG3  ARG  33           2HG      ARG  33   9.379  -9.346  -1.467
  288    HD2  ARG  33           1HD      ARG  33  10.703  -7.417  -1.715
  289    HD3  ARG  33           2HD      ARG  33   9.419  -6.362  -1.123
  290    HE   ARG  33           HE       ARG  33  10.150  -8.207   0.893
  291   HH11  ARG  33          1HH1      ARG  33  11.383  -5.388  -0.785
  292   HH12  ARG  33          2HH1      ARG  33  12.303  -4.821   0.579
  293   HH21  ARG  33          1HH2      ARG  33  11.327  -7.467   2.687
  294   HH22  ARG  33          2HH2      ARG  33  12.262  -6.005   2.576
  295    H    LEU  34           H        LEU  34   5.186  -7.679  -1.665
  296    HA   LEU  34           HA       LEU  34   5.269  -9.070   0.848
  297    HB2  LEU  34           1HB      LEU  34   3.557  -6.795  -0.129
  298    HB3  LEU  34           2HB      LEU  34   3.543  -7.408   1.514
  299    HG   LEU  34           HG       LEU  34   5.895  -6.127   0.127
  300   HD11  LEU  34          1HD1      LEU  34   5.576  -4.330   1.742
  301   HD12  LEU  34          2HD1      LEU  34   4.139  -5.140   2.361
  302   HD13  LEU  34          3HD1      LEU  34   4.162  -4.530   0.708
  303   HD21  LEU  34          3HD2      LEU  34   5.619  -7.172   2.938
  304   HD22  LEU  34          1HD2      LEU  34   6.983  -6.243   2.318
  305   HD23  LEU  34          2HD2      LEU  34   6.639  -7.844   1.665
  306    H    GLY  35           H        GLY  35   3.192  -9.114  -1.956
  307    HA2  GLY  35           1HA      GLY  35   2.062 -11.306  -2.191
  308    HA3  GLY  35           2HA      GLY  35   1.526 -11.110  -0.541
  309    H    LEU  36           H        LEU  36   1.498  -8.295  -2.521
  310    HA   LEU  36           HA       LEU  36  -1.413  -8.551  -2.809
  311    HB2  LEU  36           1HB      LEU  36  -1.030  -5.867  -2.558
  312    HB3  LEU  36           2HB      LEU  36  -1.533  -6.922  -1.255
  313    HG   LEU  36           HG       LEU  36   1.384  -6.446  -1.760
  314   HD11  LEU  36          1HD1      LEU  36  -0.462  -4.672  -0.174
  315   HD12  LEU  36          2HD1      LEU  36   0.456  -4.226  -1.613
  316   HD13  LEU  36          3HD1      LEU  36   1.299  -4.616  -0.116
  317   HD21  LEU  36          3HD2      LEU  36   1.598  -7.020   0.549
  318   HD22  LEU  36          1HD2      LEU  36   0.573  -8.234  -0.217
  319   HD23  LEU  36          2HD2      LEU  36  -0.147  -6.970   0.786
  320    H    ASN  37           H        ASN  37  -2.264  -6.897  -4.362
  321    HA   ASN  37           HA       ASN  37  -0.345  -5.793  -6.226
  322    HB2  ASN  37           1HB      ASN  37  -1.232  -8.148  -6.978
  323    HB3  ASN  37           2HB      ASN  37  -2.674  -7.243  -7.414
  324   HD21  ASN  37          1HD2      ASN  37  -1.086  -4.831  -8.107
  325   HD22  ASN  37          2HD2      ASN  37  -0.356  -5.187  -9.634
  326    H    GLU  38           H        GLU  38  -3.078  -5.691  -7.837
  327    HA   GLU  38           HA       GLU  38  -3.529  -2.994  -7.401
  328    HB2  GLU  38           1HB      GLU  38  -5.342  -5.088  -8.609
  329    HB3  GLU  38           2HB      GLU  38  -5.661  -3.359  -8.673
  330    HG2  GLU  38           1HG      GLU  38  -3.197  -4.676  -9.787
  331    HG3  GLU  38           2HG      GLU  38  -4.630  -4.258 -10.729
  332    H    GLU  39           H        GLU  39  -4.820  -5.743  -5.728
  333    HA   GLU  39           HA       GLU  39  -7.058  -4.825  -4.459
  334    HB2  GLU  39           1HB      GLU  39  -6.055  -7.045  -4.099
  335    HB3  GLU  39           2HB      GLU  39  -4.748  -6.307  -3.188
  336    HG2  GLU  39           1HG      GLU  39  -6.301  -7.259  -1.653
  337    HG3  GLU  39           2HG      GLU  39  -6.426  -5.505  -1.546
  338    H    ALA  40           H        ALA  40  -3.698  -4.259  -3.560
  339    HA   ALA  40           HA       ALA  40  -4.536  -2.293  -1.565
  340    HB1  ALA  40           3HB      ALA  40  -2.155  -2.354  -0.893
  341    HB2  ALA  40           1HB      ALA  40  -1.851  -3.518  -2.185
  342    HB3  ALA  40           2HB      ALA  40  -2.926  -3.941  -0.848
  343    H    ILE  41           H        ILE  41  -2.501  -2.575  -4.456
  344    HA   ILE  41           HA       ILE  41  -1.373  -0.030  -4.435
  345    HB   ILE  41           HB       ILE  41  -2.084  -1.715  -6.840
  346   HG12  ILE  41          1HG1      ILE  41   0.528  -1.508  -5.337
  347   HG13  ILE  41          2HG1      ILE  41  -0.645  -2.794  -5.084
  348   HG21  ILE  41          1HG2      ILE  41  -0.109   0.546  -6.560
  349   HG22  ILE  41          2HG2      ILE  41  -1.619   0.589  -7.472
  350   HG23  ILE  41          3HG2      ILE  41  -0.310  -0.475  -7.986
  351   HD11  ILE  41          3HD1      ILE  41  -0.388  -3.453  -7.435
  352   HD12  ILE  41          1HD1      ILE  41   1.118  -3.557  -6.522
  353   HD13  ILE  41          2HD1      ILE  41   0.844  -2.207  -7.630
  354    H    ARG  42           H        ARG  42  -4.492  -1.116  -5.609
  355    HA   ARG  42           HA       ARG  42  -5.108   1.523  -6.623
  356    HB2  ARG  42           1HB      ARG  42  -5.732  -0.605  -7.815
  357    HB3  ARG  42           2HB      ARG  42  -6.901  -0.842  -6.538
  358    HG2  ARG  42           1HG      ARG  42  -8.118   1.081  -7.155
  359    HG3  ARG  42           2HG      ARG  42  -6.859   1.588  -8.286
  360    HD2  ARG  42           1HD      ARG  42  -8.598  -0.870  -8.499
  361    HD3  ARG  42           2HD      ARG  42  -8.720   0.585  -9.488
  362    HE   ARG  42           HE       ARG  42  -6.136  -0.691  -9.594
  363   HH11  ARG  42          1HH1      ARG  42  -9.347  -0.562 -10.990
  364   HH12  ARG  42          2HH1      ARG  42  -8.855  -1.274 -12.505
  365   HH21  ARG  42          1HH2      ARG  42  -5.479  -1.620 -11.570
  366   HH22  ARG  42          2HH2      ARG  42  -6.665  -1.881 -12.829
  367    H    GLN  43           H        GLN  43  -6.394  -0.753  -4.185
  368    HA   GLN  43           HA       GLN  43  -8.489   0.983  -3.397
  369    HB2  GLN  43           1HB      GLN  43  -8.482  -1.495  -3.101
  370    HB3  GLN  43           2HB      GLN  43  -7.291  -1.290  -1.816
  371    HG2  GLN  43           1HG      GLN  43  -8.861  -0.036  -0.492
  372    HG3  GLN  43           2HG      GLN  43 -10.043  -0.059  -1.799
  373   HE21  GLN  43          1HE2      GLN  43  -8.501  -1.881   0.706
  374   HE22  GLN  43          2HE2      GLN  43  -9.586  -3.224   0.680
  375    H    PHE  44           H        PHE  44  -5.300   0.334  -1.964
  376    HA   PHE  44           HA       PHE  44  -5.780   1.753   0.445
  377    HB2  PHE  44           1HB      PHE  44  -3.980   0.027   0.071
  378    HB3  PHE  44           2HB      PHE  44  -3.095   1.231  -0.856
  379    HD1  PHE  44           HD1      PHE  44  -4.504   0.530   2.495
  380    HD2  PHE  44           HD2      PHE  44  -1.684   2.747   0.211
  381    HE1  PHE  44           HE1      PHE  44  -3.446   1.314   4.573
  382    HE2  PHE  44           HE2      PHE  44  -0.620   3.541   2.285
  383    HZ   PHE  44           HZ       PHE  44  -1.502   2.820   4.469
  384    H    PHE  45           H        PHE  45  -4.809   2.722  -2.732
  385    HA   PHE  45           HA       PHE  45  -3.997   5.361  -1.854
  386    HB2  PHE  45           1HB      PHE  45  -4.146   4.025  -4.550
  387    HB3  PHE  45           2HB      PHE  45  -3.820   5.744  -4.386
  388    HD1  PHE  45           HD1      PHE  45  -2.586   2.474  -3.059
  389    HD2  PHE  45           HD2      PHE  45  -1.638   6.427  -4.318
  390    HE1  PHE  45           HE1      PHE  45  -0.193   1.986  -2.767
  391    HE2  PHE  45           HE2      PHE  45   0.759   5.947  -4.027
  392    HZ   PHE  45           HZ       PHE  45   1.484   3.725  -3.251
  393    H    GLU  46           H        GLU  46  -6.513   4.023  -4.016
  394    HA   GLU  46           HA       GLU  46  -7.811   6.457  -4.511
  395    HB2  GLU  46           1HB      GLU  46  -8.916   3.647  -4.543
  396    HB3  GLU  46           2HB      GLU  46  -9.756   5.052  -5.185
  397    HG2  GLU  46           1HG      GLU  46  -7.144   3.927  -6.168
  398    HG3  GLU  46           2HG      GLU  46  -8.708   3.798  -6.958
  399    H    GLU  47           H        GLU  47  -8.389   4.007  -2.040
  400    HA   GLU  47           HA       GLU  47 -10.408   5.752  -0.799
  401    HB2  GLU  47           1HB      GLU  47 -11.024   3.383  -1.485
  402    HB3  GLU  47           2HB      GLU  47  -9.904   2.819  -0.252
  403    HG2  GLU  47           1HG      GLU  47 -11.235   4.023   1.447
  404    HG3  GLU  47           2HG      GLU  47 -12.390   4.458   0.188
  405    H    PHE  48           H        PHE  48  -7.741   6.441  -0.505
  406    HA   PHE  48           HA       PHE  48  -6.564   5.304   1.821
  407    HB2  PHE  48           1HB      PHE  48  -5.292   6.497   0.033
  408    HB3  PHE  48           2HB      PHE  48  -5.943   8.003   0.605
  409    HD1  PHE  48           HD1      PHE  48  -4.209   5.006   1.999
  410    HD2  PHE  48           HD2      PHE  48  -4.642   9.243   2.014
  411    HE1  PHE  48           HE1      PHE  48  -2.394   5.185   3.652
  412    HE2  PHE  48           HE2      PHE  48  -2.827   9.426   3.663
  413    HZ   PHE  48           HZ       PHE  48  -1.698   7.397   4.484
  414    H    GLU  49           H        GLU  49  -7.476   8.713   1.466
  415    HA   GLU  49           HA       GLU  49  -8.623   8.627   4.136
  416    HB2  GLU  49           1HB      GLU  49  -6.414   9.285   4.558
  417    HB3  GLU  49           2HB      GLU  49  -6.349  10.288   3.115
  418    HG2  GLU  49           1HG      GLU  49  -6.485  11.788   4.870
  419    HG3  GLU  49           2HG      GLU  49  -8.111  11.698   4.195
  420    H    GLN  50           H        GLN  50  -7.841  11.041   1.604
  421    HA   GLN  50           HA       GLN  50 -10.579  12.093   1.940
  422    HB2  GLN  50           1HB      GLN  50  -9.637  14.355   1.653
  423    HB3  GLN  50           2HB      GLN  50  -8.975  13.537   3.065
  424    HG2  GLN  50           1HG      GLN  50  -6.948  13.013   1.836
  425    HG3  GLN  50           2HG      GLN  50  -7.610  13.770   0.387
  426   HE21  GLN  50          1HE2      GLN  50  -8.020  15.004   3.635
  427   HE22  GLN  50          2HE2      GLN  50  -7.058  16.424   3.416
  428    H    ARG  51           H        ARG  51  -8.948  10.427  -0.175
  429    HA   ARG  51           HA       ARG  51  -8.887  12.150  -2.466
  430    HB2  ARG  51           1HB      ARG  51  -8.581   9.156  -2.238
  431    HB3  ARG  51           2HB      ARG  51  -8.345  10.071  -3.720
  432    HG2  ARG  51           1HG      ARG  51  -6.558  11.361  -2.524
  433    HG3  ARG  51           2HG      ARG  51  -6.722  10.211  -1.194
  434    HD2  ARG  51           1HD      ARG  51  -6.207   8.378  -2.733
  435    HD3  ARG  51           2HD      ARG  51  -6.025   9.538  -4.046
  436    HE   ARG  51           HE       ARG  51  -4.312   9.904  -1.722
  437   HH11  ARG  51          1HH1      ARG  51  -4.688   8.729  -5.000
  438   HH12  ARG  51          2HH1      ARG  51  -2.976   8.622  -5.284
  439   HH21  ARG  51          1HH2      ARG  51  -2.060   9.721  -2.083
  440   HH22  ARG  51          2HH2      ARG  51  -1.479   9.210  -3.646
  441    H    LYS  52           H        LYS  52 -10.308  12.346  -4.085
  442    HA   LYS  52           HA       LYS  52 -12.574  10.530  -4.288
  443    HB2  LYS  52           1HB      LYS  52 -12.727  13.209  -3.271
  444    HB3  LYS  52           2HB      LYS  52 -13.535  13.161  -4.827
  445    HG2  LYS  52           1HG      LYS  52 -14.161  11.237  -2.602
  446    HG3  LYS  52           2HG      LYS  52 -14.976  12.786  -2.798
  447    HD2  LYS  52           1HD      LYS  52 -14.933  10.547  -4.831
  448    HD3  LYS  52           2HD      LYS  52 -16.284  10.980  -3.787
  449    HE2  LYS  52           1HE      LYS  52 -16.375  13.194  -4.835
  450    HE3  LYS  52           2HE      LYS  52 -15.044  12.742  -5.900
  451    HZ1  LYS  52           3HZ      LYS  52 -16.461  10.934  -6.762
  452    HZ2  LYS  52           1HZ      LYS  52 -17.114  12.474  -7.047
  453    HZ3  LYS  52           2HZ      LYS  52 -17.743  11.504  -5.811
  Start of MODEL   19
    1    H1   MET   1           1H       MET   1 -13.029  -9.250   1.882
    2    H2   MET   1           2H       MET   1 -14.452  -9.236   2.797
    3    H3   MET   1           3H       MET   1 -13.483 -10.626   2.767
    4    HA   MET   1           HA       MET   1 -12.795  -7.993   3.930
    5    HB2  MET   1           1HB      MET   1 -12.763  -9.211   6.084
    6    HB3  MET   1           2HB      MET   1 -14.347  -9.301   5.323
    7    HG2  MET   1           1HG      MET   1 -13.833 -11.558   4.532
    8    HG3  MET   1           2HG      MET   1 -12.259 -11.470   5.319
    9    HE1  MET   1           3HE      MET   1 -14.413 -13.809   5.808
   10    HE2  MET   1           1HE      MET   1 -14.275 -14.004   7.556
   11    HE3  MET   1           2HE      MET   1 -12.828 -13.762   6.580
   12    H    LYS   2           H        LYS   2 -11.526 -10.647   2.267
   13    HA   LYS   2           HA       LYS   2  -8.914 -10.252   3.542
   14    HB2  LYS   2           1HB      LYS   2  -8.151 -12.251   2.568
   15    HB3  LYS   2           2HB      LYS   2  -9.791 -12.613   3.074
   16    HG2  LYS   2           1HG      LYS   2  -9.071 -11.844   0.259
   17    HG3  LYS   2           2HG      LYS   2  -9.087 -13.509   0.836
   18    HD2  LYS   2           1HD      LYS   2 -11.451 -13.316   1.381
   19    HD3  LYS   2           2HD      LYS   2 -11.446 -11.626   0.875
   20    HE2  LYS   2           1HE      LYS   2 -12.368 -13.085  -0.864
   21    HE3  LYS   2           2HE      LYS   2 -10.893 -12.283  -1.397
   22    HZ1  LYS   2           3HZ      LYS   2 -10.997 -15.064  -0.353
   23    HZ2  LYS   2           1HZ      LYS   2  -9.655 -14.288  -1.047
   24    HZ3  LYS   2           2HZ      LYS   2 -11.006 -14.662  -2.001
   25    H    GLN   3           H        GLN   3  -7.349  -9.097   2.568
   26    HA   GLN   3           HA       GLN   3  -7.752  -8.291  -0.229
   27    HB2  GLN   3           1HB      GLN   3  -7.327  -6.306   2.014
   28    HB3  GLN   3           2HB      GLN   3  -7.507  -5.929   0.306
   29    HG2  GLN   3           1HG      GLN   3  -9.796  -6.574   0.327
   30    HG3  GLN   3           2HG      GLN   3  -9.650  -7.250   1.949
   31   HE21  GLN   3          1HE2      GLN   3 -11.475  -5.223   0.958
   32   HE22  GLN   3          2HE2      GLN   3 -11.197  -3.810   1.931
   33    H    TRP   4           H        TRP   4  -5.744  -7.065   2.389
   34    HA   TRP   4           HA       TRP   4  -3.349  -7.675   0.827
   35    HB2  TRP   4           1HB      TRP   4  -2.415  -6.319   2.973
   36    HB3  TRP   4           2HB      TRP   4  -2.971  -5.535   1.503
   37    HD1  TRP   4           HD1      TRP   4  -4.469  -3.549   2.024
   38    HE1  TRP   4           HE1      TRP   4  -6.220  -2.942   3.815
   39    HE3  TRP   4           HE3      TRP   4  -4.217  -7.782   4.868
   40    HZ2  TRP   4           HZ2      TRP   4  -7.329  -4.108   6.134
   41    HZ3  TRP   4           HZ3      TRP   4  -5.647  -7.952   6.858
   42    HH2  TRP   4           HH2      TRP   4  -7.170  -6.150   7.479
   43    H    SER   5           H        SER   5  -1.415  -8.168   2.386
   44    HA   SER   5           HA       SER   5  -2.172 -10.281   4.219
   45    HB2  SER   5           1HB      SER   5  -0.136 -10.539   2.816
   46    HB3  SER   5           2HB      SER   5   0.569  -9.130   3.608
   47    HG   SER   5           HG       SER   5   0.031 -11.697   4.655
   48    H    GLU   6           H        GLU   6  -2.581  -9.893   6.292
   49    HA   GLU   6           HA       GLU   6  -3.069  -7.473   7.395
   50    HB2  GLU   6           1HB      GLU   6  -3.733  -9.623   8.353
   51    HB3  GLU   6           2HB      GLU   6  -2.077  -9.919   8.857
   52    HG2  GLU   6           1HG      GLU   6  -2.167  -8.083  10.403
   53    HG3  GLU   6           2HG      GLU   6  -3.772  -7.630   9.823
   54    H    ASN   7           H        ASN   7   0.007  -9.233   7.802
   55    HA   ASN   7           HA       ASN   7   1.266  -7.304   9.411
   56    HB2  ASN   7           1HB      ASN   7   2.194  -9.515   9.313
   57    HB3  ASN   7           2HB      ASN   7   2.406  -9.409   7.569
   58   HD21  ASN   7          1HD2      ASN   7   4.175  -8.372   6.743
   59   HD22  ASN   7          2HD2      ASN   7   5.488  -7.804   7.713
   60    H    VAL   8           H        VAL   8   0.881  -7.519   5.968
   61    HA   VAL   8           HA       VAL   8   2.905  -5.605   5.324
   62    HB   VAL   8           HB       VAL   8   0.565  -6.541   3.651
   63   HG11  VAL   8          1HG1      VAL   8   2.023  -5.813   1.766
   64   HG12  VAL   8          2HG1      VAL   8   3.085  -5.048   2.946
   65   HG13  VAL   8          3HG1      VAL   8   1.418  -4.501   2.768
   66   HG21  VAL   8          3HG2      VAL   8   2.017  -8.387   4.349
   67   HG22  VAL   8          1HG2      VAL   8   3.421  -7.521   3.727
   68   HG23  VAL   8          2HG2      VAL   8   2.163  -8.070   2.619
   69    H    GLU   9           H        GLU   9  -0.541  -5.503   5.986
   70    HA   GLU   9           HA       GLU   9  -1.196  -2.981   5.014
   71    HB2  GLU   9           1HB      GLU   9  -2.647  -4.843   6.142
   72    HB3  GLU   9           2HB      GLU   9  -2.280  -3.989   7.631
   73    HG2  GLU   9           1HG      GLU   9  -3.556  -2.695   5.237
   74    HG3  GLU   9           2HG      GLU   9  -4.464  -3.424   6.558
   75    H    GLU  10           H        GLU  10  -0.012  -3.904   8.225
   76    HA   GLU  10           HA       GLU  10   0.221  -1.412   9.399
   77    HB2  GLU  10           1HB      GLU  10   0.615  -3.221  10.819
   78    HB3  GLU  10           2HB      GLU  10   1.746  -3.982   9.705
   79    HG2  GLU  10           1HG      GLU  10   3.348  -2.145  10.163
   80    HG3  GLU  10           2HG      GLU  10   2.229  -1.524  11.379
   81    H    LYS  11           H        LYS  11   2.671  -3.167   7.519
   82    HA   LYS  11           HA       LYS  11   4.592  -1.083   7.965
   83    HB2  LYS  11           1HB      LYS  11   4.797  -3.725   7.656
   84    HB3  LYS  11           2HB      LYS  11   5.137  -3.230   6.005
   85    HG2  LYS  11           1HG      LYS  11   7.112  -2.261   6.547
   86    HG3  LYS  11           2HG      LYS  11   6.566  -1.794   8.157
   87    HD2  LYS  11           1HD      LYS  11   7.321  -4.583   7.281
   88    HD3  LYS  11           2HD      LYS  11   8.307  -3.507   8.272
   89    HE2  LYS  11           1HE      LYS  11   5.657  -4.758   8.998
   90    HE3  LYS  11           2HE      LYS  11   7.228  -5.068   9.726
   91    HZ1  LYS  11           3HZ      LYS  11   5.570  -3.518  10.910
   92    HZ2  LYS  11           1HZ      LYS  11   6.085  -2.348   9.795
   93    HZ3  LYS  11           2HZ      LYS  11   7.205  -3.068  10.850
   94    H    LEU  12           H        LEU  12   2.302  -1.813   5.505
   95    HA   LEU  12           HA       LEU  12   3.548  -0.432   3.364
   96    HB2  LEU  12           1HB      LEU  12   1.592  -2.010   3.183
   97    HB3  LEU  12           2HB      LEU  12   0.585  -0.739   3.844
   98    HG   LEU  12           HG       LEU  12   1.184   0.695   1.907
   99   HD11  LEU  12          1HD1      LEU  12   2.244  -0.341  -0.038
  100   HD12  LEU  12          2HD1      LEU  12   2.505  -1.817   0.889
  101   HD13  LEU  12          3HD1      LEU  12   3.328  -0.327   1.352
  102   HD21  LEU  12          3HD2      LEU  12  -0.876  -0.607   1.906
  103   HD22  LEU  12          1HD2      LEU  12  -0.014  -1.984   1.221
  104   HD23  LEU  12          2HD2      LEU  12  -0.194  -0.501   0.282
  105    H    LYS  13           H        LYS  13   1.225   0.524   5.856
  106    HA   LYS  13           HA       LYS  13   0.898   3.212   5.253
  107    HB2  LYS  13           1HB      LYS  13  -0.371   2.198   7.016
  108    HB3  LYS  13           2HB      LYS  13   1.081   1.783   7.900
  109    HG2  LYS  13           1HG      LYS  13   1.488   4.213   8.185
  110    HG3  LYS  13           2HG      LYS  13  -0.084   4.516   7.462
  111    HD2  LYS  13           1HD      LYS  13  -0.247   4.562   9.891
  112    HD3  LYS  13           2HD      LYS  13  -1.149   3.194   9.238
  113    HE2  LYS  13           1HE      LYS  13   0.758   1.716   9.782
  114    HE3  LYS  13           2HE      LYS  13   1.605   3.095  10.483
  115    HZ1  LYS  13           3HZ      LYS  13  -0.109   3.307  12.128
  116    HZ2  LYS  13           1HZ      LYS  13   0.484   1.717  12.143
  117    HZ3  LYS  13           2HZ      LYS  13  -1.011   2.054  11.421
  118    H    GLU  14           H        GLU  14   3.425   1.620   7.104
  119    HA   GLU  14           HA       GLU  14   4.856   3.956   7.791
  120    HB2  GLU  14           1HB      GLU  14   5.951   1.154   7.473
  121    HB3  GLU  14           2HB      GLU  14   6.635   2.453   8.442
  122    HG2  GLU  14           1HG      GLU  14   4.634   2.407   9.873
  123    HG3  GLU  14           2HG      GLU  14   4.014   1.055   8.928
  124    H    PHE  15           H        PHE  15   5.177   1.650   5.119
  125    HA   PHE  15           HA       PHE  15   7.553   2.819   4.095
  126    HB2  PHE  15           1HB      PHE  15   6.913   0.445   3.816
  127    HB3  PHE  15           2HB      PHE  15   5.602   0.948   2.759
  128    HD1  PHE  15           HD1      PHE  15   9.289   1.336   3.116
  129    HD2  PHE  15           HD2      PHE  15   5.974   0.900   0.485
  130    HE1  PHE  15           HE1      PHE  15  10.828   1.220   1.200
  131    HE2  PHE  15           HE2      PHE  15   7.506   0.785  -1.434
  132    HZ   PHE  15           HZ       PHE  15   9.939   0.946  -1.078
  133    H    VAL  16           H        VAL  16   4.137   3.325   3.464
  134    HA   VAL  16           HA       VAL  16   4.630   4.822   1.052
  135    HB   VAL  16           HB       VAL  16   2.108   4.476   2.686
  136   HG11  VAL  16          1HG1      VAL  16   2.108   6.645   1.518
  137   HG12  VAL  16          2HG1      VAL  16   0.909   5.531   0.859
  138   HG13  VAL  16          3HG1      VAL  16   2.421   5.809  -0.004
  139   HG21  VAL  16          3HG2      VAL  16   2.948   3.359   0.010
  140   HG22  VAL  16          1HG2      VAL  16   1.394   3.090   0.798
  141   HG23  VAL  16          2HG2      VAL  16   2.873   2.464   1.528
  142    H    LYS  17           H        LYS  17   3.620   5.695   4.383
  143    HA   LYS  17           HA       LYS  17   3.798   8.500   3.577
  144    HB2  LYS  17           1HB      LYS  17   1.784   7.746   4.793
  145    HB3  LYS  17           2HB      LYS  17   2.792   7.333   6.174
  146    HG2  LYS  17           1HG      LYS  17   1.792   9.430   6.631
  147    HG3  LYS  17           2HG      LYS  17   3.493   9.732   6.272
  148    HD2  LYS  17           1HD      LYS  17   2.856  10.337   3.948
  149    HD3  LYS  17           2HD      LYS  17   1.161  10.122   4.385
  150    HE2  LYS  17           1HE      LYS  17   1.488  11.885   6.144
  151    HE3  LYS  17           2HE      LYS  17   3.092  12.173   5.470
  152    HZ1  LYS  17           3HZ      LYS  17   0.500  12.498   4.061
  153    HZ2  LYS  17           1HZ      LYS  17   2.019  12.683   3.332
  154    HZ3  LYS  17           2HZ      LYS  17   1.535  13.741   4.563
  155    H    ARG  18           H        ARG  18   5.122   6.367   6.116
  156    HA   ARG  18           HA       ARG  18   6.617   8.438   7.361
  157    HB2  ARG  18           1HB      ARG  18   6.937   5.436   7.535
  158    HB3  ARG  18           2HB      ARG  18   7.753   6.594   8.579
  159    HG2  ARG  18           1HG      ARG  18   5.622   7.342   9.460
  160    HG3  ARG  18           2HG      ARG  18   4.765   6.249   8.372
  161    HD2  ARG  18           1HD      ARG  18   4.887   5.275  10.584
  162    HD3  ARG  18           2HD      ARG  18   5.871   4.336   9.462
  163    HE   ARG  18           HE       ARG  18   7.675   6.032  10.527
  164   HH11  ARG  18          1HH1      ARG  18   5.316   3.869  11.967
  165   HH12  ARG  18          2HH1      ARG  18   6.227   3.652  13.425
  166   HH21  ARG  18          1HH2      ARG  18   8.864   5.738  12.445
  167   HH22  ARG  18          2HH2      ARG  18   8.231   4.715  13.701
  168    H    HIS  19           H        HIS  19   7.350   6.113   4.842
  169    HA   HIS  19           HA       HIS  19  10.162   6.803   4.797
  170    HB2  HIS  19           1HB      HIS  19   8.440   4.996   3.105
  171    HB3  HIS  19           2HB      HIS  19  10.110   5.348   2.680
  172    HD1  HIS  19           HD1      HIS  19  11.512   3.414   3.335
  173    HD2  HIS  19           HD2      HIS  19   8.524   4.186   6.118
  174    HE1  HIS  19           HE1      HIS  19  11.815   1.725   5.197
  175    H    GLN  20           H        GLN  20   8.653   9.055   4.503
  176    HA   GLN  20           HA       GLN  20   8.308  10.924   3.276
  177    HB2  GLN  20           1HB      GLN  20  10.217  11.693   1.999
  178    HB3  GLN  20           2HB      GLN  20  10.734  10.937   3.496
  179    HG2  GLN  20           1HG      GLN  20  11.412   8.960   2.324
  180    HG3  GLN  20           2HG      GLN  20  10.733   9.583   0.825
  181   HE21  GLN  20          1HE2      GLN  20  12.707   9.390  -0.217
  182   HE22  GLN  20          2HE2      GLN  20  14.012  10.489   0.077
  183    H    ARG  21           H        ARG  21   7.062   8.522   2.134
  184    HA   ARG  21           HA       ARG  21   5.794   7.953   0.363
  185    HB2  ARG  21           1HB      ARG  21   6.540  10.713  -0.575
  186    HB3  ARG  21           2HB      ARG  21   5.540   9.638  -1.538
  187    HG2  ARG  21           1HG      ARG  21   3.952   9.526   0.386
  188    HG3  ARG  21           2HG      ARG  21   4.921  10.773   1.176
  189    HD2  ARG  21           1HD      ARG  21   3.018  11.766   0.025
  190    HD3  ARG  21           2HD      ARG  21   4.534  12.275  -0.715
  191    HE   ARG  21           HE       ARG  21   2.772  10.196  -1.853
  192   HH11  ARG  21          1HH1      ARG  21   4.984  12.884  -2.220
  193   HH12  ARG  21          2HH1      ARG  21   4.874  12.908  -3.955
  194   HH21  ARG  21          1HH2      ARG  21   2.632  10.211  -4.145
  195   HH22  ARG  21          2HH2      ARG  21   3.557  11.371  -5.049
  196    H    ILE  22           H        ILE  22   5.902   7.062  -1.682
  197    HA   ILE  22           HA       ILE  22   8.417   7.160  -3.132
  198    HB   ILE  22           HB       ILE  22   8.740   5.317  -1.541
  199   HG12  ILE  22          1HG1      ILE  22   8.227   4.237  -4.318
  200   HG13  ILE  22          2HG1      ILE  22   9.661   5.148  -3.851
  201   HG21  ILE  22          1HG2      ILE  22   6.216   4.190  -2.733
  202   HG22  ILE  22          2HG2      ILE  22   6.466   4.716  -1.068
  203   HG23  ILE  22          3HG2      ILE  22   7.314   3.298  -1.682
  204   HD11  ILE  22          3HD1      ILE  22   8.802   2.502  -2.709
  205   HD12  ILE  22          1HD1      ILE  22  10.248   3.404  -2.255
  206   HD13  ILE  22          2HD1      ILE  22  10.088   2.756  -3.889
  207    H    THR  23           H        THR  23   8.174   6.499  -5.321
  208    HA   THR  23           HA       THR  23   5.657   7.136  -6.411
  209    HB   THR  23           HB       THR  23   6.723   6.383  -8.586
  210    HG1  THR  23           HG1      THR  23   8.884   5.805  -8.527
  211   HG21  THR  23          3HG2      THR  23   8.208   8.379  -6.870
  212   HG22  THR  23          1HG2      THR  23   6.784   8.708  -7.856
  213   HG23  THR  23          2HG2      THR  23   8.310   8.273  -8.627
  214    H    GLN  24           H        GLN  24   4.219   5.869  -7.602
  215    HA   GLN  24           HA       GLN  24   3.489   3.431  -6.441
  216    HB2  GLN  24           1HB      GLN  24   1.910   4.929  -7.581
  217    HB3  GLN  24           2HB      GLN  24   2.692   4.593  -9.118
  218    HG2  GLN  24           1HG      GLN  24   2.018   2.260  -8.968
  219    HG3  GLN  24           2HG      GLN  24   1.249   2.576  -7.413
  220   HE21  GLN  24          1HE2      GLN  24   1.176   4.836 -10.059
  221   HE22  GLN  24          2HE2      GLN  24  -0.508   4.684 -10.408
  222    H    GLU  25           H        GLU  25   5.586   4.188  -9.078
  223    HA   GLU  25           HA       GLU  25   5.790   1.804 -10.470
  224    HB2  GLU  25           1HB      GLU  25   6.944   3.898 -11.068
  225    HB3  GLU  25           2HB      GLU  25   8.004   3.711  -9.680
  226    HG2  GLU  25           1HG      GLU  25   8.833   1.592 -10.684
  227    HG3  GLU  25           2HG      GLU  25   7.873   1.957 -12.119
  228    H    GLU  26           H        GLU  26   7.966   2.811  -7.832
  229    HA   GLU  26           HA       GLU  26   9.029   0.179  -7.530
  230    HB2  GLU  26           1HB      GLU  26   9.996   2.605  -6.958
  231    HB3  GLU  26           2HB      GLU  26   9.344   2.204  -5.375
  232    HG2  GLU  26           1HG      GLU  26  11.661   1.604  -5.460
  233    HG3  GLU  26           2HG      GLU  26  10.685   0.136  -5.381
  234    H    LEU  27           H        LEU  27   6.531   2.061  -5.991
  235    HA   LEU  27           HA       LEU  27   6.141   0.567  -3.657
  236    HB2  LEU  27           1HB      LEU  27   5.098   2.806  -4.345
  237    HB3  LEU  27           2HB      LEU  27   3.937   1.867  -5.255
  238    HG   LEU  27           HG       LEU  27   3.147   2.677  -3.008
  239   HD11  LEU  27          1HD1      LEU  27   2.082   0.789  -4.168
  240   HD12  LEU  27          2HD1      LEU  27   2.006   0.640  -2.413
  241   HD13  LEU  27          3HD1      LEU  27   3.169  -0.317  -3.333
  242   HD21  LEU  27          3HD2      LEU  27   5.210   2.372  -1.767
  243   HD22  LEU  27          1HD2      LEU  27   5.124   0.628  -2.016
  244   HD23  LEU  27          2HD2      LEU  27   3.907   1.439  -1.030
  245    H    HIS  28           H        HIS  28   4.815   0.164  -6.930
  246    HA   HIS  28           HA       HIS  28   3.041  -1.917  -6.264
  247    HB2  HIS  28           1HB      HIS  28   2.938  -0.593  -8.389
  248    HB3  HIS  28           2HB      HIS  28   4.346  -1.489  -8.958
  249    HD1  HIS  28           HD1      HIS  28   3.954  -4.190  -9.090
  250    HD2  HIS  28           HD2      HIS  28   0.569  -1.794  -8.873
  251    HE1  HIS  28           HE1      HIS  28   2.008  -5.666  -9.685
  252    H    GLN  29           H        GLN  29   6.399  -1.978  -7.450
  253    HA   GLN  29           HA       GLN  29   6.629  -4.772  -7.642
  254    HB2  GLN  29           1HB      GLN  29   8.329  -3.199  -8.511
  255    HB3  GLN  29           2HB      GLN  29   8.786  -2.803  -6.857
  256    HG2  GLN  29           1HG      GLN  29   9.291  -5.253  -6.545
  257    HG3  GLN  29           2HG      GLN  29   9.110  -5.419  -8.291
  258   HE21  GLN  29          1HE2      GLN  29  11.025  -4.128  -5.715
  259   HE22  GLN  29          2HE2      GLN  29  12.413  -3.741  -6.673
  260    H    TYR  30           H        TYR  30   7.006  -2.567  -4.945
  261    HA   TYR  30           HA       TYR  30   7.935  -4.477  -3.062
  262    HB2  TYR  30           1HB      TYR  30   8.069  -1.911  -2.978
  263    HB3  TYR  30           2HB      TYR  30   6.407  -1.958  -2.406
  264    HD1  TYR  30           HD1      TYR  30   9.812  -3.251  -1.636
  265    HD2  TYR  30           HD2      TYR  30   5.975  -2.202  -0.124
  266    HE1  TYR  30           HE1      TYR  30  10.639  -3.560   0.655
  267    HE2  TYR  30           HE2      TYR  30   6.793  -2.505   2.177
  268    HH   TYR  30           HH       TYR  30  10.083  -2.745   2.932
  269    H    ALA  31           H        ALA  31   4.827  -3.689  -4.352
  270    HA   ALA  31           HA       ALA  31   3.290  -4.732  -2.158
  271    HB1  ALA  31           3HB      ALA  31   2.359  -3.012  -3.609
  272    HB2  ALA  31           1HB      ALA  31   1.376  -4.476  -3.685
  273    HB3  ALA  31           2HB      ALA  31   2.487  -4.090  -4.999
  274    H    GLN  32           H        GLN  32   4.216  -5.847  -5.387
  275    HA   GLN  32           HA       GLN  32   2.920  -8.360  -5.232
  276    HB2  GLN  32           1HB      GLN  32   5.297  -7.461  -6.871
  277    HB3  GLN  32           2HB      GLN  32   4.491  -9.008  -7.073
  278    HG2  GLN  32           1HG      GLN  32   3.136  -6.346  -7.404
  279    HG3  GLN  32           2HG      GLN  32   3.837  -7.281  -8.723
  280   HE21  GLN  32          1HE2      GLN  32   1.235  -7.042  -6.448
  281   HE22  GLN  32          2HE2      GLN  32   0.225  -8.246  -7.173
  282    H    ARG  33           H        ARG  33   6.025  -7.191  -4.119
  283    HA   ARG  33           HA       ARG  33   7.221  -9.697  -3.661
  284    HB2  ARG  33           1HB      ARG  33   8.431  -7.508  -3.682
  285    HB3  ARG  33           2HB      ARG  33   7.690  -7.127  -2.135
  286    HG2  ARG  33           1HG      ARG  33   9.798  -7.883  -1.548
  287    HG3  ARG  33           2HG      ARG  33   8.782  -9.306  -1.311
  288    HD2  ARG  33           1HD      ARG  33   9.454 -10.049  -3.618
  289    HD3  ARG  33           2HD      ARG  33  10.596  -8.713  -3.645
  290    HE   ARG  33           HE       ARG  33  11.416  -9.896  -1.462
  291   HH11  ARG  33          1HH1      ARG  33  10.386 -11.345  -4.487
  292   HH12  ARG  33          2HH1      ARG  33  11.332 -12.785  -4.269
  293   HH21  ARG  33          1HH2      ARG  33  12.711 -11.774  -1.197
  294   HH22  ARG  33          2HH2      ARG  33  12.673 -13.022  -2.415
  295    H    LEU  34           H        LEU  34   5.461  -7.528  -1.436
  296    HA   LEU  34           HA       LEU  34   5.706  -9.382   0.733
  297    HB2  LEU  34           1HB      LEU  34   4.089  -6.857   0.441
  298    HB3  LEU  34           2HB      LEU  34   4.207  -7.785   1.923
  299    HG   LEU  34           HG       LEU  34   6.472  -6.364   0.524
  300   HD11  LEU  34          1HD1      LEU  34   4.940  -4.874   1.704
  301   HD12  LEU  34          2HD1      LEU  34   6.502  -4.964   2.517
  302   HD13  LEU  34          3HD1      LEU  34   5.118  -5.842   3.167
  303   HD21  LEU  34          3HD2      LEU  34   7.841  -7.047   2.426
  304   HD22  LEU  34          1HD2      LEU  34   7.241  -8.447   1.537
  305   HD23  LEU  34          2HD2      LEU  34   6.492  -7.986   3.066
  306    H    GLY  35           H        GLY  35   3.267  -8.713  -1.688
  307    HA2  GLY  35           1HA      GLY  35   1.875 -10.698  -2.172
  308    HA3  GLY  35           2HA      GLY  35   1.638 -10.850  -0.441
  309    H    LEU  36           H        LEU  36   1.487  -7.926  -2.427
  310    HA   LEU  36           HA       LEU  36  -1.263  -7.569  -1.476
  311    HB2  LEU  36           1HB      LEU  36   0.567  -5.552  -2.772
  312    HB3  LEU  36           2HB      LEU  36  -1.018  -5.238  -2.089
  313    HG   LEU  36           HG       LEU  36   1.407  -6.122  -0.530
  314   HD11  LEU  36          1HD1      LEU  36   1.612  -3.834  -1.329
  315   HD12  LEU  36          2HD1      LEU  36   1.338  -3.866   0.411
  316   HD13  LEU  36          3HD1      LEU  36   0.016  -3.452  -0.680
  317   HD21  LEU  36          3HD2      LEU  36   0.024  -5.710   1.432
  318   HD22  LEU  36          1HD2      LEU  36  -0.694  -6.951   0.406
  319   HD23  LEU  36          2HD2      LEU  36  -1.346  -5.313   0.394
  320    H    ASN  37           H        ASN  37  -2.914  -7.655  -2.806
  321    HA   ASN  37           HA       ASN  37  -2.452  -7.725  -5.692
  322    HB2  ASN  37           1HB      ASN  37  -4.927  -8.340  -5.762
  323    HB3  ASN  37           2HB      ASN  37  -3.849  -9.529  -5.046
  324   HD21  ASN  37          1HD2      ASN  37  -4.795  -6.633  -3.314
  325   HD22  ASN  37          2HD2      ASN  37  -5.806  -7.442  -2.162
  326    H    GLU  38           H        GLU  38  -4.004  -6.450  -7.054
  327    HA   GLU  38           HA       GLU  38  -3.597  -3.759  -6.502
  328    HB2  GLU  38           1HB      GLU  38  -5.649  -4.911  -8.394
  329    HB3  GLU  38           2HB      GLU  38  -4.999  -3.278  -8.435
  330    HG2  GLU  38           1HG      GLU  38  -3.643  -4.163  -9.992
  331    HG3  GLU  38           2HG      GLU  38  -2.710  -4.664  -8.582
  332    H    GLU  39           H        GLU  39  -6.313  -5.764  -5.613
  333    HA   GLU  39           HA       GLU  39  -8.277  -3.896  -5.043
  334    HB2  GLU  39           1HB      GLU  39  -8.665  -6.273  -4.803
  335    HB3  GLU  39           2HB      GLU  39  -7.477  -6.377  -3.514
  336    HG2  GLU  39           1HG      GLU  39  -9.620  -6.458  -2.515
  337    HG3  GLU  39           2HG      GLU  39  -8.933  -4.875  -2.158
  338    H    ALA  40           H        ALA  40  -5.643  -4.999  -2.946
  339    HA   ALA  40           HA       ALA  40  -6.310  -3.159  -0.854
  340    HB1  ALA  40           3HB      ALA  40  -4.345  -4.000   0.276
  341    HB2  ALA  40           1HB      ALA  40  -3.792  -4.782  -1.205
  342    HB3  ALA  40           2HB      ALA  40  -5.259  -5.346  -0.404
  343    H    ILE  41           H        ILE  41  -4.089  -3.239  -3.546
  344    HA   ILE  41           HA       ILE  41  -2.427  -1.105  -2.775
  345    HB   ILE  41           HB       ILE  41  -3.124  -1.999  -5.578
  346   HG12  ILE  41          1HG1      ILE  41  -0.818  -2.814  -3.792
  347   HG13  ILE  41          2HG1      ILE  41  -2.229  -3.808  -4.136
  348   HG21  ILE  41          1HG2      ILE  41  -0.746  -0.444  -4.562
  349   HG22  ILE  41          2HG2      ILE  41  -2.083   0.221  -5.500
  350   HG23  ILE  41          3HG2      ILE  41  -1.007  -0.975  -6.222
  351   HD11  ILE  41          3HD1      ILE  41  -1.610  -3.885  -6.486
  352   HD12  ILE  41          1HD1      ILE  41  -0.309  -4.486  -5.459
  353   HD13  ILE  41          2HD1      ILE  41  -0.205  -2.870  -6.158
  354    H    ARG  42           H        ARG  42  -5.265  -1.182  -4.931
  355    HA   ARG  42           HA       ARG  42  -5.301   1.639  -5.302
  356    HB2  ARG  42           1HB      ARG  42  -7.317  -0.520  -5.857
  357    HB3  ARG  42           2HB      ARG  42  -7.638   1.176  -6.187
  358    HG2  ARG  42           1HG      ARG  42  -5.738   1.265  -7.673
  359    HG3  ARG  42           2HG      ARG  42  -5.400  -0.443  -7.370
  360    HD2  ARG  42           1HD      ARG  42  -6.616  -0.154  -9.464
  361    HD3  ARG  42           2HD      ARG  42  -7.603  -1.018  -8.283
  362    HE   ARG  42           HE       ARG  42  -7.915   1.884  -8.734
  363   HH11  ARG  42          1HH1      ARG  42  -9.249  -1.355  -8.591
  364   HH12  ARG  42          2HH1      ARG  42 -10.900  -0.810  -8.643
  365   HH21  ARG  42          1HH2      ARG  42 -10.081   2.606  -8.814
  366   HH22  ARG  42          2HH2      ARG  42 -11.377   1.439  -8.770
  367    H    GLN  43           H        GLN  43  -6.711  -0.520  -2.959
  368    HA   GLN  43           HA       GLN  43  -8.569   1.315  -1.862
  369    HB2  GLN  43           1HB      GLN  43  -8.606  -1.130  -1.419
  370    HB3  GLN  43           2HB      GLN  43  -7.142  -0.953  -0.462
  371    HG2  GLN  43           1HG      GLN  43  -8.400   0.621   1.018
  372    HG3  GLN  43           2HG      GLN  43  -9.858   0.194   0.124
  373   HE21  GLN  43          1HE2      GLN  43  -7.306  -2.073   0.786
  374   HE22  GLN  43          2HE2      GLN  43  -8.194  -3.051   1.907
  375    H    PHE  44           H        PHE  44  -5.145   1.123  -1.722
  376    HA   PHE  44           HA       PHE  44  -5.001   2.694   0.714
  377    HB2  PHE  44           1HB      PHE  44  -3.313   0.845  -0.375
  378    HB3  PHE  44           2HB      PHE  44  -2.534   2.356  -0.843
  379    HD1  PHE  44           HD1      PHE  44  -3.740   0.376   2.013
  380    HD2  PHE  44           HD2      PHE  44  -1.415   3.706   0.747
  381    HE1  PHE  44           HE1      PHE  44  -2.817   0.581   4.282
  382    HE2  PHE  44           HE2      PHE  44  -0.490   3.927   3.019
  383    HZ   PHE  44           HZ       PHE  44  -1.197   2.359   4.790
  384    H    PHE  45           H        PHE  45  -4.550   3.135  -2.756
  385    HA   PHE  45           HA       PHE  45  -3.852   5.937  -2.351
  386    HB2  PHE  45           1HB      PHE  45  -4.043   4.284  -4.873
  387    HB3  PHE  45           2HB      PHE  45  -3.604   5.987  -4.835
  388    HD1  PHE  45           HD1      PHE  45  -1.650   6.475  -3.036
  389    HD2  PHE  45           HD2      PHE  45  -2.330   2.801  -5.067
  390    HE1  PHE  45           HE1      PHE  45   0.709   5.865  -2.710
  391    HE2  PHE  45           HE2      PHE  45   0.026   2.182  -4.742
  392    HZ   PHE  45           HZ       PHE  45   1.551   3.714  -3.565
  393    H    GLU  46           H        GLU  46  -6.173   4.218  -4.441
  394    HA   GLU  46           HA       GLU  46  -7.696   6.578  -4.912
  395    HB2  GLU  46           1HB      GLU  46  -8.107   3.669  -5.568
  396    HB3  GLU  46           2HB      GLU  46  -9.319   4.885  -5.953
  397    HG2  GLU  46           1HG      GLU  46  -7.660   6.070  -7.319
  398    HG3  GLU  46           2HG      GLU  46  -6.481   4.811  -6.951
  399    H    GLU  47           H        GLU  47  -8.485   3.536  -3.229
  400    HA   GLU  47           HA       GLU  47 -10.873   4.811  -2.142
  401    HB2  GLU  47           1HB      GLU  47  -9.969   1.936  -1.983
  402    HB3  GLU  47           2HB      GLU  47 -11.536   2.558  -1.482
  403    HG2  GLU  47           1HG      GLU  47 -11.947   3.270  -3.817
  404    HG3  GLU  47           2HG      GLU  47 -10.428   2.506  -4.275
  405    H    PHE  48           H        PHE  48  -8.408   5.723  -1.156
  406    HA   PHE  48           HA       PHE  48  -7.377   4.544   1.114
  407    HB2  PHE  48           1HB      PHE  48  -6.428   6.520  -0.049
  408    HB3  PHE  48           2HB      PHE  48  -7.709   7.513   0.631
  409    HD1  PHE  48           HD1      PHE  48  -5.217   5.028   1.896
  410    HD2  PHE  48           HD2      PHE  48  -7.077   8.822   2.390
  411    HE1  PHE  48           HE1      PHE  48  -3.808   5.455   3.870
  412    HE2  PHE  48           HE2      PHE  48  -5.673   9.257   4.359
  413    HZ   PHE  48           HZ       PHE  48  -4.039   7.574   5.104
  414    H    GLU  49           H        GLU  49  -9.630   7.303   1.272
  415    HA   GLU  49           HA       GLU  49 -11.569   6.156   2.880
  416    HB2  GLU  49           1HB      GLU  49 -11.090   7.072   5.114
  417    HB3  GLU  49           2HB      GLU  49  -9.864   5.913   4.621
  418    HG2  GLU  49           1HG      GLU  49  -8.288   7.626   4.189
  419    HG3  GLU  49           2HG      GLU  49  -9.515   8.883   4.337
  420    H    GLN  50           H        GLN  50  -9.758   9.001   2.002
  421    HA   GLN  50           HA       GLN  50 -12.117  10.686   2.487
  422    HB2  GLN  50           1HB      GLN  50 -10.556  12.539   2.751
  423    HB3  GLN  50           2HB      GLN  50 -10.125  11.221   3.833
  424    HG2  GLN  50           1HG      GLN  50  -8.379  10.510   2.287
  425    HG3  GLN  50           2HG      GLN  50  -8.800  11.838   1.207
  426   HE21  GLN  50          1HE2      GLN  50  -8.816  12.125   4.678
  427   HE22  GLN  50          2HE2      GLN  50  -7.448  13.174   4.794
  428    H    ARG  51           H        ARG  51 -11.151   9.034   0.074
  429    HA   ARG  51           HA       ARG  51 -11.242  11.194  -1.882
  430    HB2  ARG  51           1HB      ARG  51  -8.957  10.655  -1.809
  431    HB3  ARG  51           2HB      ARG  51  -9.278   8.935  -1.645
  432    HG2  ARG  51           1HG      ARG  51 -10.042   8.832  -3.921
  433    HG3  ARG  51           2HG      ARG  51  -9.794  10.570  -4.107
  434    HD2  ARG  51           1HD      ARG  51  -7.409  10.282  -3.687
  435    HD3  ARG  51           2HD      ARG  51  -7.648   8.551  -3.458
  436    HE   ARG  51           HE       ARG  51  -8.499   8.669  -5.887
  437   HH11  ARG  51          1HH1      ARG  51  -5.984  10.701  -4.556
  438   HH12  ARG  51          2HH1      ARG  51  -5.106  10.832  -6.052
  439   HH21  ARG  51          1HH2      ARG  51  -7.349   8.810  -7.851
  440   HH22  ARG  51          2HH2      ARG  51  -5.873   9.724  -7.928
  441    H    LYS  52           H        LYS  52 -13.238  10.869  -2.639
  442    HA   LYS  52           HA       LYS  52 -14.938   9.997  -3.846
  443    HB2  LYS  52           1HB      LYS  52 -12.812   8.202  -5.032
  444    HB3  LYS  52           2HB      LYS  52 -14.334   8.668  -5.777
  445    HG2  LYS  52           1HG      LYS  52 -12.257  10.706  -5.047
  446    HG3  LYS  52           2HG      LYS  52 -12.190   9.819  -6.568
  447    HD2  LYS  52           1HD      LYS  52 -14.366  10.682  -7.206
  448    HD3  LYS  52           2HD      LYS  52 -14.531  11.495  -5.651
  449    HE2  LYS  52           1HE      LYS  52 -13.861  13.043  -7.429
  450    HE3  LYS  52           2HE      LYS  52 -12.649  12.929  -6.155
  451    HZ1  LYS  52           3HZ      LYS  52 -12.491  11.372  -8.674
  452    HZ2  LYS  52           1HZ      LYS  52 -11.272  11.601  -7.517
  453    HZ3  LYS  52           2HZ      LYS  52 -11.778  12.900  -8.486
  Start of MODEL   20
    1    H1   MET   1           1H       MET   1 -10.618 -13.012   6.012
    2    H2   MET   1           2H       MET   1  -9.715 -14.345   5.487
    3    H3   MET   1           3H       MET   1 -11.317 -14.560   5.998
    4    HA   MET   1           HA       MET   1 -11.185 -14.653   3.616
    5    HB2  MET   1           1HB      MET   1 -13.229 -13.739   4.572
    6    HB3  MET   1           2HB      MET   1 -12.493 -12.148   4.697
    7    HG2  MET   1           1HG      MET   1 -14.036 -12.275   2.823
    8    HG3  MET   1           2HG      MET   1 -12.386 -11.981   2.279
    9    HE1  MET   1           3HE      MET   1 -13.736 -14.092  -0.678
   10    HE2  MET   1           1HE      MET   1 -12.915 -12.614  -0.179
   11    HE3  MET   1           2HE      MET   1 -14.610 -12.861   0.237
   12    H    LYS   2           H        LYS   2 -10.650 -11.204   4.445
   13    HA   LYS   2           HA       LYS   2  -8.420 -11.141   2.590
   14    HB2  LYS   2           1HB      LYS   2  -9.410  -9.264   1.275
   15    HB3  LYS   2           2HB      LYS   2 -10.232 -10.803   1.034
   16    HG2  LYS   2           1HG      LYS   2 -11.945 -10.037   2.701
   17    HG3  LYS   2           2HG      LYS   2 -11.173  -8.451   2.664
   18    HD2  LYS   2           1HD      LYS   2 -12.313  -9.888   0.270
   19    HD3  LYS   2           2HD      LYS   2 -13.126  -8.604   1.162
   20    HE2  LYS   2           1HE      LYS   2 -10.448  -8.285  -0.174
   21    HE3  LYS   2           2HE      LYS   2 -11.979  -7.885  -0.946
   22    HZ1  LYS   2           3HZ      LYS   2 -10.940  -5.933   0.015
   23    HZ2  LYS   2           1HZ      LYS   2 -10.927  -6.658   1.551
   24    HZ3  LYS   2           2HZ      LYS   2 -12.399  -6.276   0.807
   25    H    GLN   3           H        GLN   3  -6.927 -10.218   3.779
   26    HA   GLN   3           HA       GLN   3  -7.254  -7.427   4.352
   27    HB2  GLN   3           1HB      GLN   3  -6.395  -9.383   6.512
   28    HB3  GLN   3           2HB      GLN   3  -6.065  -7.658   6.574
   29    HG2  GLN   3           1HG      GLN   3  -8.667  -7.482   6.266
   30    HG3  GLN   3           2HG      GLN   3  -8.628  -9.117   6.927
   31   HE21  GLN   3          1HE2      GLN   3  -6.368  -6.556   7.730
   32   HE22  GLN   3          2HE2      GLN   3  -6.871  -6.383   9.378
   33    H    TRP   4           H        TRP   4  -5.002  -6.510   4.537
   34    HA   TRP   4           HA       TRP   4  -3.489  -7.927   2.535
   35    HB2  TRP   4           1HB      TRP   4  -2.648  -5.395   3.905
   36    HB3  TRP   4           2HB      TRP   4  -2.226  -5.945   2.290
   37    HD1  TRP   4           HD1      TRP   4  -3.628  -3.103   3.023
   38    HE1  TRP   4           HE1      TRP   4  -5.845  -2.472   1.885
   39    HE3  TRP   4           HE3      TRP   4  -5.051  -7.735   1.581
   40    HZ2  TRP   4           HZ2      TRP   4  -7.940  -3.816   0.525
   41    HZ3  TRP   4           HZ3      TRP   4  -7.183  -8.012   0.358
   42    HH2  TRP   4           HH2      TRP   4  -8.593  -6.086  -0.157
   43    H    SER   5           H        SER   5  -1.536  -8.896   2.914
   44    HA   SER   5           HA       SER   5  -1.421 -10.579   4.974
   45    HB2  SER   5           1HB      SER   5   1.095  -9.297   3.885
   46    HB3  SER   5           2HB      SER   5   0.936 -10.912   4.573
   47    HG   SER   5           HG       SER   5   0.913 -10.644   2.165
   48    H    GLU   6           H        GLU   6  -1.486 -10.350   7.080
   49    HA   GLU   6           HA       GLU   6  -1.656  -8.232   8.624
   50    HB2  GLU   6           1HB      GLU   6  -1.794 -10.489   9.490
   51    HB3  GLU   6           2HB      GLU   6  -0.050 -10.666   9.382
   52    HG2  GLU   6           1HG      GLU   6   0.269  -9.003  11.099
   53    HG3  GLU   6           2HG      GLU   6  -1.468  -8.693  11.159
   54    H    ASN   7           H        ASN   7   1.611  -9.390   7.731
   55    HA   ASN   7           HA       ASN   7   2.867  -7.323   9.298
   56    HB2  ASN   7           1HB      ASN   7   4.973  -8.171   8.389
   57    HB3  ASN   7           2HB      ASN   7   3.964  -9.485   8.981
   58   HD21  ASN   7          1HD2      ASN   7   6.156  -9.321   6.949
   59   HD22  ASN   7          2HD2      ASN   7   5.485 -10.074   5.535
   60    H    VAL   8           H        VAL   8   1.480  -7.444   6.218
   61    HA   VAL   8           HA       VAL   8   3.309  -5.487   5.040
   62    HB   VAL   8           HB       VAL   8   0.952  -6.956   3.847
   63   HG11  VAL   8          1HG1      VAL   8   1.306  -4.868   2.720
   64   HG12  VAL   8          2HG1      VAL   8   1.860  -6.192   1.698
   65   HG13  VAL   8          3HG1      VAL   8   3.033  -5.202   2.569
   66   HG21  VAL   8          3HG2      VAL   8   2.754  -8.486   4.399
   67   HG22  VAL   8          1HG2      VAL   8   3.912  -7.453   3.562
   68   HG23  VAL   8          2HG2      VAL   8   2.644  -8.272   2.652
   69    H    GLU   9           H        GLU   9  -0.104  -5.995   5.819
   70    HA   GLU   9           HA       GLU   9  -1.188  -3.579   5.015
   71    HB2  GLU   9           1HB      GLU   9  -2.345  -5.636   6.000
   72    HB3  GLU   9           2HB      GLU   9  -1.924  -4.992   7.579
   73    HG2  GLU   9           1HG      GLU   9  -3.214  -2.970   7.097
   74    HG3  GLU   9           2HG      GLU   9  -3.648  -3.628   5.519
   75    H    GLU  10           H        GLU  10   0.490  -4.431   7.969
   76    HA   GLU  10           HA       GLU  10   0.245  -1.985   9.327
   77    HB2  GLU  10           1HB      GLU  10   0.842  -3.870  10.598
   78    HB3  GLU  10           2HB      GLU  10   2.143  -4.307   9.501
   79    HG2  GLU  10           1HG      GLU  10   3.495  -2.505  10.267
   80    HG3  GLU  10           2HG      GLU  10   2.165  -1.840  11.218
   81    H    LYS  11           H        LYS  11   3.061  -3.313   7.550
   82    HA   LYS  11           HA       LYS  11   4.547  -0.921   7.909
   83    HB2  LYS  11           1HB      LYS  11   5.635  -3.099   7.693
   84    HB3  LYS  11           2HB      LYS  11   5.056  -3.233   6.034
   85    HG2  LYS  11           1HG      LYS  11   6.366  -1.232   5.440
   86    HG3  LYS  11           2HG      LYS  11   6.983  -1.169   7.090
   87    HD2  LYS  11           1HD      LYS  11   7.359  -3.488   5.198
   88    HD3  LYS  11           2HD      LYS  11   8.550  -2.220   5.484
   89    HE2  LYS  11           1HE      LYS  11   8.542  -2.849   7.894
   90    HE3  LYS  11           2HE      LYS  11   7.486  -4.203   7.487
   91    HZ1  LYS  11           3HZ      LYS  11  10.261  -3.748   6.535
   92    HZ2  LYS  11           1HZ      LYS  11   9.248  -4.972   5.944
   93    HZ3  LYS  11           2HZ      LYS  11   9.726  -4.982   7.572
   94    H    LEU  12           H        LEU  12   2.402  -2.047   5.387
   95    HA   LEU  12           HA       LEU  12   3.322  -0.364   3.316
   96    HB2  LEU  12           1HB      LEU  12   1.713  -2.330   3.136
   97    HB3  LEU  12           2HB      LEU  12   0.463  -1.230   3.684
   98    HG   LEU  12           HG       LEU  12   0.898   0.214   1.730
   99   HD11  LEU  12          1HD1      LEU  12   2.808  -1.992   0.964
  100   HD12  LEU  12          2HD1      LEU  12   3.218  -0.314   1.324
  101   HD13  LEU  12          3HD1      LEU  12   2.270  -0.703  -0.113
  102   HD21  LEU  12          3HD2      LEU  12   0.290  -2.674   1.108
  103   HD22  LEU  12          1HD2      LEU  12  -0.064  -1.306   0.054
  104   HD23  LEU  12          2HD2      LEU  12  -0.864  -1.442   1.619
  105    H    LYS  13           H        LYS  13   0.776   0.062   5.745
  106    HA   LYS  13           HA       LYS  13  -0.050   2.647   5.251
  107    HB2  LYS  13           1HB      LYS  13  -1.135   1.599   7.025
  108    HB3  LYS  13           2HB      LYS  13   0.365   1.032   7.740
  109    HG2  LYS  13           1HG      LYS  13   0.831   3.487   8.272
  110    HG3  LYS  13           2HG      LYS  13  -0.877   3.755   7.907
  111    HD2  LYS  13           1HD      LYS  13  -1.571   2.292   9.637
  112    HD3  LYS  13           2HD      LYS  13   0.063   1.665   9.858
  113    HE2  LYS  13           1HE      LYS  13  -0.427   3.160  11.673
  114    HE3  LYS  13           2HE      LYS  13   0.766   3.932  10.630
  115    HZ1  LYS  13           3HZ      LYS  13  -2.155   4.485  10.542
  116    HZ2  LYS  13           1HZ      LYS  13  -0.943   5.304   9.683
  117    HZ3  LYS  13           2HZ      LYS  13  -1.019   5.430  11.371
  118    H    GLU  14           H        GLU  14   2.815   1.529   6.945
  119    HA   GLU  14           HA       GLU  14   3.685   4.152   7.644
  120    HB2  GLU  14           1HB      GLU  14   5.278   1.592   7.648
  121    HB3  GLU  14           2HB      GLU  14   5.611   3.056   8.570
  122    HG2  GLU  14           1HG      GLU  14   3.506   2.748   9.784
  123    HG3  GLU  14           2HG      GLU  14   3.228   1.247   8.896
  124    H    PHE  15           H        PHE  15   4.298   2.006   4.948
  125    HA   PHE  15           HA       PHE  15   6.659   3.445   4.124
  126    HB2  PHE  15           1HB      PHE  15   6.309   0.969   3.878
  127    HB3  PHE  15           2HB      PHE  15   5.107   1.325   2.649
  128    HD1  PHE  15           HD1      PHE  15   8.435   2.866   3.268
  129    HD2  PHE  15           HD2      PHE  15   6.010   0.537   0.660
  130    HE1  PHE  15           HE1      PHE  15  10.232   2.885   1.587
  131    HE2  PHE  15           HE2      PHE  15   7.799   0.553  -1.023
  132    HZ   PHE  15           HZ       PHE  15   9.916   1.728  -0.564
  133    H    VAL  16           H        VAL  16   3.263   3.607   3.534
  134    HA   VAL  16           HA       VAL  16   3.624   5.184   1.121
  135    HB   VAL  16           HB       VAL  16   1.094   4.449   2.605
  136   HG11  VAL  16          1HG1      VAL  16  -0.086   5.275   0.601
  137   HG12  VAL  16          2HG1      VAL  16   1.446   5.877  -0.032
  138   HG13  VAL  16          3HG1      VAL  16   0.777   6.557   1.451
  139   HG21  VAL  16          3HG2      VAL  16   0.695   2.960   0.705
  140   HG22  VAL  16          1HG2      VAL  16   2.196   2.552   1.537
  141   HG23  VAL  16          2HG2      VAL  16   2.246   3.430   0.009
  142    H    LYS  17           H        LYS  17   2.057   5.765   4.313
  143    HA   LYS  17           HA       LYS  17   2.193   8.613   3.685
  144    HB2  LYS  17           1HB      LYS  17   0.603   8.909   5.557
  145    HB3  LYS  17           2HB      LYS  17   0.002   7.920   4.237
  146    HG2  LYS  17           1HG      LYS  17   1.155   6.107   5.978
  147    HG3  LYS  17           2HG      LYS  17   0.345   7.274   7.023
  148    HD2  LYS  17           1HD      LYS  17  -0.891   5.843   4.688
  149    HD3  LYS  17           2HD      LYS  17  -1.133   5.419   6.385
  150    HE2  LYS  17           1HE      LYS  17  -1.926   7.992   5.030
  151    HE3  LYS  17           2HE      LYS  17  -3.012   6.707   5.549
  152    HZ1  LYS  17           3HZ      LYS  17  -2.986   8.564   7.096
  153    HZ2  LYS  17           1HZ      LYS  17  -1.322   8.360   7.346
  154    HZ3  LYS  17           2HZ      LYS  17  -2.405   7.149   7.837
  155    H    ARG  18           H        ARG  18   3.226   6.343   6.186
  156    HA   ARG  18           HA       ARG  18   4.248   8.354   7.921
  157    HB2  ARG  18           1HB      ARG  18   3.661   6.008   8.621
  158    HB3  ARG  18           2HB      ARG  18   5.121   5.462   7.808
  159    HG2  ARG  18           1HG      ARG  18   6.494   6.758   9.299
  160    HG3  ARG  18           2HG      ARG  18   5.065   7.453  10.060
  161    HD2  ARG  18           1HD      ARG  18   4.411   5.117  10.743
  162    HD3  ARG  18           2HD      ARG  18   5.992   4.582  10.165
  163    HE   ARG  18           HE       ARG  18   6.273   6.770  11.954
  164   HH11  ARG  18          1HH1      ARG  18   5.702   3.295  11.900
  165   HH12  ARG  18          2HH1      ARG  18   6.193   3.084  13.554
  166   HH21  ARG  18          1HH2      ARG  18   6.978   6.459  14.096
  167   HH22  ARG  18          2HH2      ARG  18   6.947   4.857  14.787
  168    H    HIS  19           H        HIS  19   5.507   6.749   5.118
  169    HA   HIS  19           HA       HIS  19   8.149   7.944   5.465
  170    HB2  HIS  19           1HB      HIS  19   6.943   6.053   3.462
  171    HB3  HIS  19           2HB      HIS  19   8.407   6.937   3.055
  172    HD1  HIS  19           HD1      HIS  19   7.189   4.535   5.767
  173    HD2  HIS  19           HD2      HIS  19  10.668   5.752   3.850
  174    HE1  HIS  19           HE1      HIS  19   9.029   3.018   6.608
  175    H    GLN  20           H        GLN  20   8.698   8.622   2.785
  176    HA   GLN  20           HA       GLN  20   7.052  11.036   2.563
  177    HB2  GLN  20           1HB      GLN  20   9.742  10.366   1.364
  178    HB3  GLN  20           2HB      GLN  20   8.878  11.873   1.089
  179    HG2  GLN  20           1HG      GLN  20   8.907  12.182   3.603
  180    HG3  GLN  20           2HG      GLN  20  10.059  10.849   3.650
  181   HE21  GLN  20          1HE2      GLN  20  12.124  11.141   2.806
  182   HE22  GLN  20          2HE2      GLN  20  12.757  12.722   2.466
  183    H    ARG  21           H        ARG  21   5.907   8.643   1.735
  184    HA   ARG  21           HA       ARG  21   4.568   7.856   0.095
  185    HB2  ARG  21           1HB      ARG  21   5.410  10.346  -1.402
  186    HB3  ARG  21           2HB      ARG  21   4.099   9.277  -1.876
  187    HG2  ARG  21           1HG      ARG  21   2.833   9.840   0.059
  188    HG3  ARG  21           2HG      ARG  21   4.192  10.729   0.753
  189    HD2  ARG  21           1HD      ARG  21   2.607  12.291  -0.179
  190    HD3  ARG  21           2HD      ARG  21   4.083  12.309  -1.139
  191    HE   ARG  21           HE       ARG  21   1.604  10.935  -1.958
  192   HH11  ARG  21          1HH1      ARG  21   4.544  12.682  -2.728
  193   HH12  ARG  21          2HH1      ARG  21   4.153  12.835  -4.418
  194   HH21  ARG  21          1HH2      ARG  21   1.093  11.145  -4.182
  195   HH22  ARG  21          2HH2      ARG  21   2.205  11.973  -5.234
  196    H    ILE  22           H        ILE  22   4.636   7.346  -2.448
  197    HA   ILE  22           HA       ILE  22   7.261   6.711  -3.417
  198    HB   ILE  22           HB       ILE  22   7.105   4.989  -1.730
  199   HG12  ILE  22          1HG1      ILE  22   6.544   3.833  -4.471
  200   HG13  ILE  22          2HG1      ILE  22   8.122   4.333  -3.868
  201   HG21  ILE  22          1HG2      ILE  22   4.470   4.243  -2.992
  202   HG22  ILE  22          2HG2      ILE  22   4.708   4.957  -1.397
  203   HG23  ILE  22          3HG2      ILE  22   5.294   3.327  -1.728
  204   HD11  ILE  22          3HD1      ILE  22   6.431   2.102  -2.769
  205   HD12  ILE  22          1HD1      ILE  22   8.010   2.595  -2.162
  206   HD13  ILE  22          2HD1      ILE  22   7.860   1.927  -3.786
  207    H    THR  23           H        THR  23   7.248   5.959  -5.548
  208    HA   THR  23           HA       THR  23   4.856   6.435  -7.058
  209    HB   THR  23           HB       THR  23   6.347   5.612  -8.976
  210    HG1  THR  23           HG1      THR  23   8.555   5.457  -8.489
  211   HG21  THR  23          3HG2      THR  23   7.658   7.708  -8.981
  212   HG22  THR  23          1HG2      THR  23   7.189   7.977  -7.301
  213   HG23  THR  23          2HG2      THR  23   5.962   7.966  -8.570
  214    H    GLN  24           H        GLN  24   3.893   4.861  -8.518
  215    HA   GLN  24           HA       GLN  24   3.261   2.475  -7.133
  216    HB2  GLN  24           1HB      GLN  24   2.584   3.389  -9.896
  217    HB3  GLN  24           2HB      GLN  24   1.925   1.936  -9.169
  218    HG2  GLN  24           1HG      GLN  24   0.922   3.282  -7.397
  219    HG3  GLN  24           2HG      GLN  24   1.589   4.741  -8.125
  220   HE21  GLN  24          1HE2      GLN  24  -0.791   2.221  -8.416
  221   HE22  GLN  24          2HE2      GLN  24  -1.762   3.000  -9.618
  222    H    GLU  25           H        GLU  25   5.624   3.231  -9.516
  223    HA   GLU  25           HA       GLU  25   6.103   0.740 -10.664
  224    HB2  GLU  25           1HB      GLU  25   7.163   2.870 -11.358
  225    HB3  GLU  25           2HB      GLU  25   8.142   2.839  -9.897
  226    HG2  GLU  25           1HG      GLU  25   9.406   2.078 -11.819
  227    HG3  GLU  25           2HG      GLU  25   9.203   0.776 -10.646
  228    H    GLU  26           H        GLU  26   7.803   2.165  -7.872
  229    HA   GLU  26           HA       GLU  26   9.048  -0.307  -7.182
  230    HB2  GLU  26           1HB      GLU  26  10.121   1.811  -6.630
  231    HB3  GLU  26           2HB      GLU  26   8.757   2.269  -5.622
  232    HG2  GLU  26           1HG      GLU  26   9.274   0.595  -4.019
  233    HG3  GLU  26           2HG      GLU  26  10.474  -0.137  -5.082
  234    H    LEU  27           H        LEU  27   6.126   1.353  -6.264
  235    HA   LEU  27           HA       LEU  27   5.492  -0.074  -3.936
  236    HB2  LEU  27           1HB      LEU  27   4.393   2.022  -5.071
  237    HB3  LEU  27           2HB      LEU  27   3.388   0.832  -5.869
  238    HG   LEU  27           HG       LEU  27   2.382   1.885  -3.821
  239   HD11  LEU  27          1HD1      LEU  27   1.478  -0.196  -2.910
  240   HD12  LEU  27          2HD1      LEU  27   2.744  -1.106  -3.731
  241   HD13  LEU  27          3HD1      LEU  27   1.536  -0.234  -4.673
  242   HD21  LEU  27          3HD2      LEU  27   4.470   1.953  -2.498
  243   HD22  LEU  27          1HD2      LEU  27   4.419   0.197  -2.371
  244   HD23  LEU  27          2HD2      LEU  27   3.143   1.172  -1.637
  245    H    HIS  28           H        HIS  28   4.865  -0.758  -7.356
  246    HA   HIS  28           HA       HIS  28   3.192  -2.979  -6.896
  247    HB2  HIS  28           1HB      HIS  28   3.167  -1.891  -9.058
  248    HB3  HIS  28           2HB      HIS  28   4.866  -2.293  -9.319
  249    HD1  HIS  28           HD1      HIS  28   5.416  -4.831  -9.785
  250    HD2  HIS  28           HD2      HIS  28   1.372  -3.911  -9.601
  251    HE1  HIS  28           HE1      HIS  28   4.194  -6.899 -10.514
  252    H    GLN  29           H        GLN  29   6.704  -2.828  -7.633
  253    HA   GLN  29           HA       GLN  29   7.000  -5.641  -7.631
  254    HB2  GLN  29           1HB      GLN  29   9.408  -5.256  -7.491
  255    HB3  GLN  29           2HB      GLN  29   8.668  -4.201  -8.681
  256    HG2  GLN  29           1HG      GLN  29  10.108  -2.762  -7.663
  257    HG3  GLN  29           2HG      GLN  29   8.650  -2.481  -6.719
  258   HE21  GLN  29          1HE2      GLN  29  10.529  -5.391  -6.355
  259   HE22  GLN  29          2HE2      GLN  29  11.175  -5.014  -4.793
  260    H    TYR  30           H        TYR  30   6.988  -3.249  -5.141
  261    HA   TYR  30           HA       TYR  30   7.939  -4.889  -3.018
  262    HB2  TYR  30           1HB      TYR  30   7.744  -2.308  -3.203
  263    HB3  TYR  30           2HB      TYR  30   6.069  -2.551  -2.729
  264    HD1  TYR  30           HD1      TYR  30   9.450  -3.683  -1.597
  265    HD2  TYR  30           HD2      TYR  30   5.613  -2.217  -0.504
  266    HE1  TYR  30           HE1      TYR  30  10.153  -3.634   0.757
  267    HE2  TYR  30           HE2      TYR  30   6.299  -2.165   1.861
  268    HH   TYR  30           HH       TYR  30   9.514  -2.402   2.850
  269    H    ALA  31           H        ALA  31   4.974  -4.642  -4.740
  270    HA   ALA  31           HA       ALA  31   3.269  -5.482  -2.568
  271    HB1  ALA  31           3HB      ALA  31   2.432  -3.992  -4.341
  272    HB2  ALA  31           1HB      ALA  31   1.486  -5.477  -4.225
  273    HB3  ALA  31           2HB      ALA  31   2.667  -5.284  -5.521
  274    H    GLN  32           H        GLN  32   4.695  -6.916  -5.447
  275    HA   GLN  32           HA       GLN  32   3.255  -9.391  -5.101
  276    HB2  GLN  32           1HB      GLN  32   5.563  -8.841  -6.972
  277    HB3  GLN  32           2HB      GLN  32   4.406 -10.157  -7.077
  278    HG2  GLN  32           1HG      GLN  32   3.885  -7.229  -7.551
  279    HG3  GLN  32           2HG      GLN  32   3.873  -8.530  -8.737
  280   HE21  GLN  32          1HE2      GLN  32   1.815  -6.625  -8.132
  281   HE22  GLN  32          2HE2      GLN  32   0.414  -7.530  -7.672
  282    H    ARG  33           H        ARG  33   6.183  -8.028  -4.012
  283    HA   ARG  33           HA       ARG  33   7.488 -10.528  -3.434
  284    HB2  ARG  33           1HB      ARG  33   8.751  -8.446  -3.876
  285    HB3  ARG  33           2HB      ARG  33   8.107  -7.771  -2.385
  286    HG2  ARG  33           1HG      ARG  33  10.322  -8.575  -1.965
  287    HG3  ARG  33           2HG      ARG  33   9.161  -9.616  -1.142
  288    HD2  ARG  33           1HD      ARG  33  10.222 -10.311  -3.856
  289    HD3  ARG  33           2HD      ARG  33  11.096 -10.735  -2.385
  290    HE   ARG  33           HE       ARG  33   8.680 -11.734  -1.856
  291   HH11  ARG  33          1HH1      ARG  33  10.645 -11.954  -4.750
  292   HH12  ARG  33          2HH1      ARG  33  10.052 -13.532  -5.183
  293   HH21  ARG  33          1HH2      ARG  33   7.878 -13.792  -2.433
  294   HH22  ARG  33          2HH2      ARG  33   8.468 -14.570  -3.870
  295    H    LEU  34           H        LEU  34   5.563  -8.171  -1.636
  296    HA   LEU  34           HA       LEU  34   5.945  -9.635   0.829
  297    HB2  LEU  34           1HB      LEU  34   4.339  -7.177   0.171
  298    HB3  LEU  34           2HB      LEU  34   4.429  -7.886   1.768
  299    HG   LEU  34           HG       LEU  34   6.722  -6.691   0.220
  300   HD11  LEU  34          1HD1      LEU  34   6.720  -4.997   1.932
  301   HD12  LEU  34          2HD1      LEU  34   5.389  -5.797   2.765
  302   HD13  LEU  34          3HD1      LEU  34   5.128  -5.079   1.177
  303   HD21  LEU  34          3HD2      LEU  34   6.684  -7.951   2.959
  304   HD22  LEU  34          1HD2      LEU  34   8.045  -7.086   2.240
  305   HD23  LEU  34          2HD2      LEU  34   7.482  -8.598   1.526
  306    H    GLY  35           H        GLY  35   3.395  -9.145  -1.559
  307    HA2  GLY  35           1HA      GLY  35   1.928 -11.121  -1.830
  308    HA3  GLY  35           2HA      GLY  35   1.819 -11.161  -0.078
  309    H    LEU  36           H        LEU  36   1.611  -8.320  -2.195
  310    HA   LEU  36           HA       LEU  36  -0.957  -7.688  -0.986
  311    HB2  LEU  36           1HB      LEU  36   0.738  -6.171  -2.959
  312    HB3  LEU  36           2HB      LEU  36  -0.826  -5.627  -2.380
  313    HG   LEU  36           HG       LEU  36   1.595  -6.081  -0.640
  314   HD11  LEU  36          1HD1      LEU  36   0.297  -3.517  -1.555
  315   HD12  LEU  36          2HD1      LEU  36   1.832  -4.153  -2.144
  316   HD13  LEU  36          3HD1      LEU  36   1.673  -3.661  -0.459
  317   HD21  LEU  36          3HD2      LEU  36  -0.550  -6.485   0.493
  318   HD22  LEU  36          1HD2      LEU  36  -1.107  -4.890  -0.013
  319   HD23  LEU  36          2HD2      LEU  36   0.252  -5.035   1.101
  320    H    ASN  37           H        ASN  37  -2.843  -8.047  -1.880
  321    HA   ASN  37           HA       ASN  37  -3.105  -8.908  -4.607
  322    HB2  ASN  37           1HB      ASN  37  -5.502  -8.868  -4.228
  323    HB3  ASN  37           2HB      ASN  37  -4.698  -9.664  -2.886
  324   HD21  ASN  37          1HD2      ASN  37  -3.878  -6.919  -1.816
  325   HD22  ASN  37          2HD2      ASN  37  -5.317  -6.417  -0.989
  326    H    GLU  38           H        GLU  38  -4.512  -7.701  -6.155
  327    HA   GLU  38           HA       GLU  38  -3.197  -5.244  -6.633
  328    HB2  GLU  38           1HB      GLU  38  -5.619  -6.419  -8.003
  329    HB3  GLU  38           2HB      GLU  38  -4.645  -5.087  -8.613
  330    HG2  GLU  38           1HG      GLU  38  -3.640  -7.880  -8.111
  331    HG3  GLU  38           2HG      GLU  38  -4.093  -7.228  -9.684
  332    H    GLU  39           H        GLU  39  -6.130  -6.016  -5.003
  333    HA   GLU  39           HA       GLU  39  -7.466  -3.569  -5.110
  334    HB2  GLU  39           1HB      GLU  39  -8.571  -5.472  -4.166
  335    HB3  GLU  39           2HB      GLU  39  -7.305  -5.681  -2.965
  336    HG2  GLU  39           1HG      GLU  39  -8.028  -3.863  -1.691
  337    HG3  GLU  39           2HG      GLU  39  -8.986  -3.200  -3.024
  338    H    ALA  40           H        ALA  40  -5.251  -4.782  -2.620
  339    HA   ALA  40           HA       ALA  40  -5.101  -2.492  -1.054
  340    HB1  ALA  40           3HB      ALA  40  -4.270  -4.671  -0.341
  341    HB2  ALA  40           1HB      ALA  40  -3.027  -3.430  -0.171
  342    HB3  ALA  40           2HB      ALA  40  -2.964  -4.564  -1.522
  343    H    ILE  41           H        ILE  41  -3.223  -3.460  -3.856
  344    HA   ILE  41           HA       ILE  41  -1.099  -1.701  -3.623
  345    HB   ILE  41           HB       ILE  41  -2.324  -2.735  -6.187
  346   HG12  ILE  41          1HG1      ILE  41  -0.117  -3.861  -4.448
  347   HG13  ILE  41          2HG1      ILE  41  -1.739  -4.527  -4.609
  348   HG21  ILE  41          1HG2      ILE  41  -0.809  -0.887  -6.620
  349   HG22  ILE  41          2HG2      ILE  41  -0.068  -2.404  -7.134
  350   HG23  ILE  41          3HG2      ILE  41   0.434  -1.641  -5.625
  351   HD11  ILE  41          3HD1      ILE  41  -1.315  -5.023  -6.947
  352   HD12  ILE  41          1HD1      ILE  41  -0.102  -5.773  -5.907
  353   HD13  ILE  41          2HD1      ILE  41   0.296  -4.315  -6.817
  354    H    ARG  42           H        ARG  42  -4.209  -1.270  -5.264
  355    HA   ARG  42           HA       ARG  42  -3.501   1.460  -5.978
  356    HB2  ARG  42           1HB      ARG  42  -4.661   0.191  -7.671
  357    HB3  ARG  42           2HB      ARG  42  -5.971  -0.180  -6.556
  358    HG2  ARG  42           1HG      ARG  42  -6.433   2.276  -6.432
  359    HG3  ARG  42           2HG      ARG  42  -5.253   2.488  -7.723
  360    HD2  ARG  42           1HD      ARG  42  -6.565   1.234  -9.247
  361    HD3  ARG  42           2HD      ARG  42  -7.640   0.680  -7.962
  362    HE   ARG  42           HE       ARG  42  -7.768   3.448  -7.963
  363   HH11  ARG  42          1HH1      ARG  42  -8.512   0.876 -10.220
  364   HH12  ARG  42          2HH1      ARG  42  -9.819   1.750 -10.964
  365   HH21  ARG  42          1HH2      ARG  42  -9.469   4.572  -8.917
  366   HH22  ARG  42          2HH2      ARG  42 -10.364   3.846 -10.226
  367    H    GLN  43           H        GLN  43  -5.550  -0.270  -3.724
  368    HA   GLN  43           HA       GLN  43  -7.413   1.714  -3.147
  369    HB2  GLN  43           1HB      GLN  43  -7.616  -0.661  -2.463
  370    HB3  GLN  43           2HB      GLN  43  -6.365  -0.392  -1.254
  371    HG2  GLN  43           1HG      GLN  43  -7.755   1.189  -0.091
  372    HG3  GLN  43           2HG      GLN  43  -8.990   1.072  -1.341
  373   HE21  GLN  43          1HE2      GLN  43 -10.541   0.446   0.129
  374   HE22  GLN  43          2HE2      GLN  43 -10.570  -1.150   0.816
  375    H    PHE  44           H        PHE  44  -4.183   1.227  -1.833
  376    HA   PHE  44           HA       PHE  44  -4.416   2.957   0.361
  377    HB2  PHE  44           1HB      PHE  44  -2.208   1.694  -1.156
  378    HB3  PHE  44           2HB      PHE  44  -1.796   3.067  -0.149
  379    HD1  PHE  44           HD1      PHE  44  -3.736  -0.103   0.021
  380    HD2  PHE  44           HD2      PHE  44  -1.226   2.664   2.055
  381    HE1  PHE  44           HE1      PHE  44  -3.717  -1.572   1.989
  382    HE2  PHE  44           HE2      PHE  44  -1.204   1.194   4.029
  383    HZ   PHE  44           HZ       PHE  44  -2.455  -0.924   4.002
  384    H    PHE  45           H        PHE  45  -3.661   3.552  -3.018
  385    HA   PHE  45           HA       PHE  45  -3.107   6.358  -2.450
  386    HB2  PHE  45           1HB      PHE  45  -3.013   4.794  -5.036
  387    HB3  PHE  45           2HB      PHE  45  -2.628   6.506  -4.896
  388    HD1  PHE  45           HD1      PHE  45  -0.602   7.237  -3.769
  389    HD2  PHE  45           HD2      PHE  45  -1.496   3.107  -4.249
  390    HE1  PHE  45           HE1      PHE  45   1.730   6.673  -3.225
  391    HE2  PHE  45           HE2      PHE  45   0.833   2.535  -3.704
  392    HZ   PHE  45           HZ       PHE  45   2.450   4.319  -3.190
  393    H    GLU  46           H        GLU  46  -5.547   4.320  -3.858
  394    HA   GLU  46           HA       GLU  46  -7.054   6.383  -5.098
  395    HB2  GLU  46           1HB      GLU  46  -7.237   4.030  -5.757
  396    HB3  GLU  46           2HB      GLU  46  -7.902   3.635  -4.182
  397    HG2  GLU  46           1HG      GLU  46  -9.674   3.773  -5.782
  398    HG3  GLU  46           2HG      GLU  46  -9.801   5.111  -4.640
  399    H    GLU  47           H        GLU  47  -7.669   4.483  -2.154
  400    HA   GLU  47           HA       GLU  47  -9.664   6.462  -1.338
  401    HB2  GLU  47           1HB      GLU  47  -9.050   3.728  -0.212
  402    HB3  GLU  47           2HB      GLU  47 -10.374   4.770   0.296
  403    HG2  GLU  47           1HG      GLU  47 -11.320   4.632  -1.965
  404    HG3  GLU  47           2HG      GLU  47 -10.015   3.540  -2.427
  405    H    PHE  48           H        PHE  48  -7.004   7.252  -1.205
  406    HA   PHE  48           HA       PHE  48  -5.895   6.925   1.391
  407    HB2  PHE  48           1HB      PHE  48  -4.746   7.698  -0.808
  408    HB3  PHE  48           2HB      PHE  48  -5.374   9.287  -0.393
  409    HD1  PHE  48           HD1      PHE  48  -3.643   6.533   1.435
  410    HD2  PHE  48           HD2      PHE  48  -3.839  10.682   0.533
  411    HE1  PHE  48           HE1      PHE  48  -1.693   6.933   2.873
  412    HE2  PHE  48           HE2      PHE  48  -1.887  11.089   1.970
  413    HZ   PHE  48           HZ       PHE  48  -0.809   9.213   3.142
  414    H    GLU  49           H        GLU  49  -5.515   8.913   2.795
  415    HA   GLU  49           HA       GLU  49  -8.069   9.763   3.713
  416    HB2  GLU  49           1HB      GLU  49  -6.777  11.014   5.432
  417    HB3  GLU  49           2HB      GLU  49  -6.374   9.307   5.333
  418    HG2  GLU  49           1HG      GLU  49  -4.355   9.861   4.056
  419    HG3  GLU  49           2HG      GLU  49  -4.766  11.574   4.161
  420    H    GLN  50           H        GLN  50  -6.169  10.945   1.295
  421    HA   GLN  50           HA       GLN  50  -6.796  13.743   1.629
  422    HB2  GLN  50           1HB      GLN  50  -5.656  12.227  -0.731
  423    HB3  GLN  50           2HB      GLN  50  -5.775  13.977  -0.615
  424    HG2  GLN  50           1HG      GLN  50  -4.234  12.312   1.356
  425    HG3  GLN  50           2HG      GLN  50  -3.517  12.971  -0.116
  426   HE21  GLN  50          1HE2      GLN  50  -5.049  15.425  -0.023
  427   HE22  GLN  50          2HE2      GLN  50  -4.385  16.373   1.271
  428    H    ARG  51           H        ARG  51  -8.464  11.016   0.689
  429    HA   ARG  51           HA       ARG  51 -10.430  12.630  -0.802
  430    HB2  ARG  51           1HB      ARG  51  -9.605   9.769  -1.314
  431    HB3  ARG  51           2HB      ARG  51 -11.027  10.516  -2.027
  432    HG2  ARG  51           1HG      ARG  51  -9.596  12.160  -3.140
  433    HG3  ARG  51           2HG      ARG  51  -8.176  11.390  -2.427
  434    HD2  ARG  51           1HD      ARG  51  -8.683   9.322  -3.593
  435    HD3  ARG  51           2HD      ARG  51 -10.144  10.040  -4.270
  436    HE   ARG  51           HE       ARG  51  -8.398  11.723  -5.242
  437   HH11  ARG  51          1HH1      ARG  51  -8.028   8.257  -4.892
  438   HH12  ARG  51          2HH1      ARG  51  -7.002   8.091  -6.290
  439   HH21  ARG  51          1HH2      ARG  51  -7.050  11.520  -7.061
  440   HH22  ARG  51          2HH2      ARG  51  -6.420   9.967  -7.513
  441    H    LYS  52           H        LYS  52 -12.586  12.207  -0.377
  442    HA   LYS  52           HA       LYS  52 -13.325  10.136   1.495
  443    HB2  LYS  52           1HB      LYS  52 -14.436  11.738   3.054
  444    HB3  LYS  52           2HB      LYS  52 -12.682  11.846   3.065
  445    HG2  LYS  52           1HG      LYS  52 -12.831  13.814   1.576
  446    HG3  LYS  52           2HG      LYS  52 -14.589  13.730   1.697
  447    HD2  LYS  52           1HD      LYS  52 -13.739  15.379   3.247
  448    HD3  LYS  52           2HD      LYS  52 -14.409  14.013   4.141
  449    HE2  LYS  52           1HE      LYS  52 -12.182  13.131   4.511
  450    HE3  LYS  52           2HE      LYS  52 -11.481  14.417   3.530
  451    HZ1  LYS  52           3HZ      LYS  52 -12.271  16.030   5.143
  452    HZ2  LYS  52           1HZ      LYS  52 -11.271  14.879   5.891
  453    HZ3  LYS  52           2HZ      LYS  52 -12.955  14.793   6.082
  Start of MODEL   21
    1    H1   MET   1           1H       MET   1 -12.528  -9.078   2.928
    2    H2   MET   1           2H       MET   1 -12.484  -7.414   3.238
    3    H3   MET   1           3H       MET   1 -13.832  -8.322   3.706
    4    HA   MET   1           HA       MET   1 -12.405  -7.765   5.580
    5    HB2  MET   1           1HB      MET   1 -13.767  -9.854   5.566
    6    HB3  MET   1           2HB      MET   1 -12.380 -10.719   4.920
    7    HG2  MET   1           1HG      MET   1 -12.557 -11.107   7.287
    8    HG3  MET   1           2HG      MET   1 -11.106 -10.167   6.947
    9    HE1  MET   1           3HE      MET   1 -10.835  -9.431   9.462
   10    HE2  MET   1           1HE      MET   1 -12.229 -10.433   9.865
   11    HE3  MET   1           2HE      MET   1 -12.150  -8.766  10.432
   12    H    LYS   2           H        LYS   2 -10.704 -10.521   4.043
   13    HA   LYS   2           HA       LYS   2  -8.189  -9.313   4.776
   14    HB2  LYS   2           1HB      LYS   2  -7.140 -11.309   3.766
   15    HB3  LYS   2           2HB      LYS   2  -8.359 -11.725   4.960
   16    HG2  LYS   2           1HG      LYS   2  -9.908 -12.361   3.266
   17    HG3  LYS   2           2HG      LYS   2  -8.866 -11.716   1.997
   18    HD2  LYS   2           1HD      LYS   2  -8.722 -14.165   2.137
   19    HD3  LYS   2           2HD      LYS   2  -7.177 -13.397   2.505
   20    HE2  LYS   2           1HE      LYS   2  -7.560 -15.177   4.075
   21    HE3  LYS   2           2HE      LYS   2  -7.684 -13.634   4.916
   22    HZ1  LYS   2           3HZ      LYS   2 -10.140 -13.821   4.639
   23    HZ2  LYS   2           1HZ      LYS   2  -9.456 -15.007   5.642
   24    HZ3  LYS   2           2HZ      LYS   2  -9.909 -15.396   4.055
   25    H    GLN   3           H        GLN   3  -7.313  -7.763   3.636
   26    HA   GLN   3           HA       GLN   3  -7.937  -7.669   0.748
   27    HB2  GLN   3           1HB      GLN   3  -7.276  -5.445   2.673
   28    HB3  GLN   3           2HB      GLN   3  -7.401  -5.224   0.932
   29    HG2  GLN   3           1HG      GLN   3  -9.744  -6.048   1.059
   30    HG3  GLN   3           2HG      GLN   3  -9.585  -6.076   2.814
   31   HE21  GLN   3          1HE2      GLN   3  -8.047  -3.672   0.860
   32   HE22  GLN   3          2HE2      GLN   3  -9.044  -2.343   1.341
   33    H    TRP   4           H        TRP   4  -5.459  -8.275   2.892
   34    HA   TRP   4           HA       TRP   4  -3.443  -8.612   1.040
   35    HB2  TRP   4           1HB      TRP   4  -1.908  -6.718   1.806
   36    HB3  TRP   4           2HB      TRP   4  -3.191  -6.279   0.695
   37    HD1  TRP   4           HD1      TRP   4  -4.877  -6.486   3.911
   38    HE1  TRP   4           HE1      TRP   4  -5.092  -4.180   5.013
   39    HE3  TRP   4           HE3      TRP   4  -1.436  -3.948   1.112
   40    HZ2  TRP   4           HZ2      TRP   4  -3.934  -1.619   4.737
   41    HZ3  TRP   4           HZ3      TRP   4  -1.047  -1.573   1.604
   42    HH2  TRP   4           HH2      TRP   4  -2.271  -0.434   3.381
   43    H    SER   5           H        SER   5  -1.306  -8.955   2.190
   44    HA   SER   5           HA       SER   5  -1.622 -10.532   4.463
   45    HB2  SER   5           1HB      SER   5   0.881  -9.108   3.528
   46    HB3  SER   5           2HB      SER   5   0.823 -10.494   4.615
   47    HG   SER   5           HG       SER   5   1.246 -11.225   2.545
   48    H    GLU   6           H        GLU   6  -2.212  -9.901   6.425
   49    HA   GLU   6           HA       GLU   6  -2.564  -7.390   7.397
   50    HB2  GLU   6           1HB      GLU   6  -3.357  -9.440   8.491
   51    HB3  GLU   6           2HB      GLU   6  -1.719  -9.784   9.027
   52    HG2  GLU   6           1HG      GLU   6  -1.708  -7.826  10.418
   53    HG3  GLU   6           2HG      GLU   6  -3.278  -7.328   9.794
   54    H    ASN   7           H        ASN   7   0.464  -9.261   7.717
   55    HA   ASN   7           HA       ASN   7   1.899  -7.414   9.260
   56    HB2  ASN   7           1HB      ASN   7   2.661  -9.565   7.339
   57    HB3  ASN   7           2HB      ASN   7   3.902  -8.406   7.802
   58   HD21  ASN   7          1HD2      ASN   7   2.818  -8.026  10.474
   59   HD22  ASN   7          2HD2      ASN   7   3.210  -9.458  11.362
   60    H    VAL   8           H        VAL   8   1.113  -7.434   5.894
   61    HA   VAL   8           HA       VAL   8   3.026  -5.395   5.192
   62    HB   VAL   8           HB       VAL   8   0.774  -6.585   3.571
   63   HG11  VAL   8          1HG1      VAL   8   2.093  -5.741   1.649
   64   HG12  VAL   8          2HG1      VAL   8   3.133  -4.887   2.792
   65   HG13  VAL   8          3HG1      VAL   8   1.420  -4.472   2.670
   66   HG21  VAL   8          3HG2      VAL   8   3.707  -7.276   3.624
   67   HG22  VAL   8          1HG2      VAL   8   2.497  -7.971   2.546
   68   HG23  VAL   8          2HG2      VAL   8   2.402  -8.263   4.282
   69    H    GLU   9           H        GLU   9  -0.405  -5.628   5.925
   70    HA   GLU   9           HA       GLU   9  -1.274  -3.093   5.177
   71    HB2  GLU   9           1HB      GLU   9  -2.797  -4.805   6.067
   72    HB3  GLU   9           2HB      GLU   9  -2.010  -4.720   7.638
   73    HG2  GLU   9           1HG      GLU   9  -3.218  -2.235   6.541
   74    HG3  GLU   9           2HG      GLU   9  -4.294  -3.494   7.134
   75    H    GLU  10           H        GLU  10   0.255  -4.159   8.170
   76    HA   GLU  10           HA       GLU  10   0.550  -1.636   9.360
   77    HB2  GLU  10           1HB      GLU  10   0.814  -3.724  10.603
   78    HB3  GLU  10           2HB      GLU  10   2.219  -4.145   9.633
   79    HG2  GLU  10           1HG      GLU  10   3.363  -2.132  10.522
   80    HG3  GLU  10           2HG      GLU  10   1.984  -1.875  11.592
   81    H    LYS  11           H        LYS  11   2.879  -3.598   7.496
   82    HA   LYS  11           HA       LYS  11   4.997  -1.793   7.814
   83    HB2  LYS  11           1HB      LYS  11   5.257  -4.180   7.318
   84    HB3  LYS  11           2HB      LYS  11   4.681  -3.879   5.685
   85    HG2  LYS  11           1HG      LYS  11   7.063  -4.025   5.688
   86    HG3  LYS  11           2HG      LYS  11   6.591  -2.387   5.299
   87    HD2  LYS  11           1HD      LYS  11   8.537  -2.482   6.792
   88    HD3  LYS  11           2HD      LYS  11   7.181  -1.667   7.549
   89    HE2  LYS  11           1HE      LYS  11   7.835  -4.574   8.010
   90    HE3  LYS  11           2HE      LYS  11   8.493  -3.273   8.998
   91    HZ1  LYS  11           3HZ      LYS  11   5.649  -4.062   8.725
   92    HZ2  LYS  11           1HZ      LYS  11   6.137  -2.620   9.475
   93    HZ3  LYS  11           2HZ      LYS  11   6.608  -4.119  10.115
   94    H    LEU  12           H        LEU  12   2.766  -2.231   5.076
   95    HA   LEU  12           HA       LEU  12   4.179  -0.444   3.376
   96    HB2  LEU  12           1HB      LEU  12   2.554  -2.193   2.629
   97    HB3  LEU  12           2HB      LEU  12   1.256  -1.174   3.216
   98    HG   LEU  12           HG       LEU  12   2.057   0.600   1.645
   99   HD11  LEU  12          1HD1      LEU  12   3.718  -1.653   0.527
  100   HD12  LEU  12          2HD1      LEU  12   4.353  -0.264   1.406
  101   HD13  LEU  12          3HD1      LEU  12   3.559  -0.037  -0.150
  102   HD21  LEU  12          3HD2      LEU  12   0.148  -0.820   1.104
  103   HD22  LEU  12          1HD2      LEU  12   1.233  -2.019   0.400
  104   HD23  LEU  12          2HD2      LEU  12   1.081  -0.425  -0.340
  105    H    LYS  13           H        LYS  13   1.486  -0.100   5.590
  106    HA   LYS  13           HA       LYS  13   0.793   2.556   5.143
  107    HB2  LYS  13           1HB      LYS  13  -0.492   1.089   6.570
  108    HB3  LYS  13           2HB      LYS  13   0.864   0.916   7.667
  109    HG2  LYS  13           1HG      LYS  13   0.655   3.234   8.340
  110    HG3  LYS  13           2HG      LYS  13  -0.654   3.469   7.175
  111    HD2  LYS  13           1HD      LYS  13  -1.565   3.117   9.400
  112    HD3  LYS  13           2HD      LYS  13  -1.981   1.763   8.348
  113    HE2  LYS  13           1HE      LYS  13   0.154   0.666   9.327
  114    HE3  LYS  13           2HE      LYS  13  -0.000   1.876  10.598
  115    HZ1  LYS  13           3HZ      LYS  13  -2.036  -0.151   9.831
  116    HZ2  LYS  13           1HZ      LYS  13  -2.257   1.049  11.016
  117    HZ3  LYS  13           2HZ      LYS  13  -1.085  -0.163  11.236
  118    H    GLU  14           H        GLU  14   3.350   1.140   7.086
  119    HA   GLU  14           HA       GLU  14   4.294   3.584   8.181
  120    HB2  GLU  14           1HB      GLU  14   5.846   1.029   7.759
  121    HB3  GLU  14           2HB      GLU  14   6.191   2.299   8.926
  122    HG2  GLU  14           1HG      GLU  14   4.136   1.786  10.117
  123    HG3  GLU  14           2HG      GLU  14   3.747   0.538   8.929
  124    H    PHE  15           H        PHE  15   5.174   1.639   5.374
  125    HA   PHE  15           HA       PHE  15   7.505   3.149   4.775
  126    HB2  PHE  15           1HB      PHE  15   7.265   0.786   4.170
  127    HB3  PHE  15           2HB      PHE  15   5.939   1.187   3.088
  128    HD1  PHE  15           HD1      PHE  15   9.520   2.041   3.682
  129    HD2  PHE  15           HD2      PHE  15   6.395   1.462   0.851
  130    HE1  PHE  15           HE1      PHE  15  11.133   2.332   1.850
  131    HE2  PHE  15           HE2      PHE  15   8.004   1.756  -0.986
  132    HZ   PHE  15           HZ       PHE  15  10.378   2.186  -0.488
  133    H    VAL  16           H        VAL  16   4.156   3.257   3.653
  134    HA   VAL  16           HA       VAL  16   4.792   5.197   1.599
  135    HB   VAL  16           HB       VAL  16   2.110   4.200   2.580
  136   HG11  VAL  16          1HG1      VAL  16   2.761   5.891   0.168
  137   HG12  VAL  16          2HG1      VAL  16   1.934   6.446   1.624
  138   HG13  VAL  16          3HG1      VAL  16   1.174   5.240   0.583
  139   HG21  VAL  16          3HG2      VAL  16   3.459   2.486   1.489
  140   HG22  VAL  16          1HG2      VAL  16   3.685   3.542   0.094
  141   HG23  VAL  16          2HG2      VAL  16   2.076   2.934   0.489
  142    H    LYS  17           H        LYS  17   2.933   5.231   4.655
  143    HA   LYS  17           HA       LYS  17   2.434   8.062   4.379
  144    HB2  LYS  17           1HB      LYS  17   1.861   6.283   6.754
  145    HB3  LYS  17           2HB      LYS  17   1.195   7.879   6.453
  146    HG2  LYS  17           1HG      LYS  17   0.648   5.373   4.876
  147    HG3  LYS  17           2HG      LYS  17  -0.462   6.198   5.971
  148    HD2  LYS  17           1HD      LYS  17  -0.277   8.207   4.468
  149    HD3  LYS  17           2HD      LYS  17   0.597   7.181   3.328
  150    HE2  LYS  17           1HE      LYS  17  -1.677   7.204   2.641
  151    HE3  LYS  17           2HE      LYS  17  -1.377   5.627   3.369
  152    HZ1  LYS  17           3HZ      LYS  17  -3.492   6.648   4.071
  153    HZ2  LYS  17           1HZ      LYS  17  -2.627   7.925   4.778
  154    HZ3  LYS  17           2HZ      LYS  17  -2.451   6.342   5.376
  155    H    ARG  18           H        ARG  18   4.380   6.000   6.497
  156    HA   ARG  18           HA       ARG  18   5.088   8.299   8.134
  157    HB2  ARG  18           1HB      ARG  18   5.848   5.396   8.486
  158    HB3  ARG  18           2HB      ARG  18   5.979   6.675   9.692
  159    HG2  ARG  18           1HG      ARG  18   3.577   6.891   9.791
  160    HG3  ARG  18           2HG      ARG  18   3.387   5.721   8.487
  161    HD2  ARG  18           1HD      ARG  18   2.942   4.539  10.471
  162    HD3  ARG  18           2HD      ARG  18   4.572   4.064   9.996
  163    HE   ARG  18           HE       ARG  18   4.439   6.267  11.869
  164   HH11  ARG  18          1HH1      ARG  18   4.710   2.806  11.437
  165   HH12  ARG  18          2HH1      ARG  18   5.316   2.521  13.031
  166   HH21  ARG  18          1HH2      ARG  18   5.236   5.900  13.975
  167   HH22  ARG  18          2HH2      ARG  18   5.620   4.290  14.482
  168    H    HIS  19           H        HIS  19   6.319   6.901   5.405
  169    HA   HIS  19           HA       HIS  19   9.086   7.585   6.131
  170    HB2  HIS  19           1HB      HIS  19   7.951   5.558   4.243
  171    HB3  HIS  19           2HB      HIS  19   9.545   6.232   3.922
  172    HD1  HIS  19           HD1      HIS  19   7.722   4.369   6.709
  173    HD2  HIS  19           HD2      HIS  19  11.559   5.051   5.261
  174    HE1  HIS  19           HE1      HIS  19   9.263   2.871   8.041
  175    H    GLN  20           H        GLN  20  10.061   7.683   3.505
  176    HA   GLN  20           HA       GLN  20   9.552  10.395   2.862
  177    HB2  GLN  20           1HB      GLN  20  11.725   9.108   2.661
  178    HB3  GLN  20           2HB      GLN  20  11.048   8.344   1.232
  179    HG2  GLN  20           1HG      GLN  20  10.819  10.556   0.190
  180    HG3  GLN  20           2HG      GLN  20  11.574  11.268   1.615
  181   HE21  GLN  20          1HE2      GLN  20  12.442  11.235  -1.186
  182   HE22  GLN  20          2HE2      GLN  20  14.023  10.525  -1.186
  183    H    ARG  21           H        ARG  21   7.524   7.997   2.363
  184    HA   ARG  21           HA       ARG  21   5.825   7.519   0.955
  185    HB2  ARG  21           1HB      ARG  21   6.597  10.227   0.005
  186    HB3  ARG  21           2HB      ARG  21   5.604   9.254  -1.073
  187    HG2  ARG  21           1HG      ARG  21   4.193  10.659   0.237
  188    HG3  ARG  21           2HG      ARG  21   3.967   8.992   0.765
  189    HD2  ARG  21           1HD      ARG  21   4.065  10.453   2.679
  190    HD3  ARG  21           2HD      ARG  21   5.486   9.417   2.656
  191    HE   ARG  21           HE       ARG  21   6.769  11.322   1.903
  192   HH11  ARG  21          1HH1      ARG  21   3.564  12.012   3.117
  193   HH12  ARG  21          2HH1      ARG  21   3.926  13.662   3.503
  194   HH21  ARG  21          1HH2      ARG  21   7.261  13.482   2.445
  195   HH22  ARG  21          2HH2      ARG  21   6.017  14.507   3.114
  196    H    ILE  22           H        ILE  22   5.416   7.153  -1.570
  197    HA   ILE  22           HA       ILE  22   7.884   6.252  -2.822
  198    HB   ILE  22           HB       ILE  22   7.223   4.438  -1.263
  199   HG12  ILE  22          1HG1      ILE  22   7.097   2.578  -3.029
  200   HG13  ILE  22          2HG1      ILE  22   7.139   3.868  -4.221
  201   HG21  ILE  22          1HG2      ILE  22   5.230   3.106  -1.697
  202   HG22  ILE  22          2HG2      ILE  22   4.752   4.234  -2.965
  203   HG23  ILE  22          3HG2      ILE  22   4.826   4.772  -1.288
  204   HD11  ILE  22          3HD1      ILE  22   9.238   3.582  -2.095
  205   HD12  ILE  22          1HD1      ILE  22   9.313   4.518  -3.585
  206   HD13  ILE  22          2HD1      ILE  22   9.339   2.758  -3.651
  207    H    THR  23           H        THR  23   7.765   6.090  -5.017
  208    HA   THR  23           HA       THR  23   5.452   7.089  -6.365
  209    HB   THR  23           HB       THR  23   6.906   6.249  -8.413
  210    HG1  THR  23           HG1      THR  23   8.909   6.545  -6.403
  211   HG21  THR  23          3HG2      THR  23   8.158   8.366  -8.323
  212   HG22  THR  23          1HG2      THR  23   7.703   8.555  -6.628
  213   HG23  THR  23          2HG2      THR  23   6.464   8.589  -7.884
  214    H    GLN  24           H        GLN  24   4.796   5.780  -8.484
  215    HA   GLN  24           HA       GLN  24   3.178   3.750  -7.328
  216    HB2  GLN  24           1HB      GLN  24   2.342   5.313  -9.024
  217    HB3  GLN  24           2HB      GLN  24   3.411   4.589 -10.218
  218    HG2  GLN  24           1HG      GLN  24   2.221   2.501 -10.087
  219    HG3  GLN  24           2HG      GLN  24   1.225   3.114  -8.768
  220   HE21  GLN  24          1HE2      GLN  24   0.441   2.071 -11.369
  221   HE22  GLN  24          2HE2      GLN  24  -0.478   3.333 -12.131
  222    H    GLU  25           H        GLU  25   5.878   3.638  -9.639
  223    HA   GLU  25           HA       GLU  25   5.543   0.934 -10.361
  224    HB2  GLU  25           1HB      GLU  25   6.955   2.453 -11.658
  225    HB3  GLU  25           2HB      GLU  25   8.080   2.580 -10.310
  226    HG2  GLU  25           1HG      GLU  25   8.731   0.299 -10.546
  227    HG3  GLU  25           2HG      GLU  25   7.439  -0.009 -11.704
  228    H    GLU  26           H        GLU  26   7.862   2.352  -8.055
  229    HA   GLU  26           HA       GLU  26   8.725  -0.114  -7.007
  230    HB2  GLU  26           1HB      GLU  26   8.873   2.723  -6.098
  231    HB3  GLU  26           2HB      GLU  26   9.328   1.443  -4.982
  232    HG2  GLU  26           1HG      GLU  26  10.505   1.815  -7.723
  233    HG3  GLU  26           2HG      GLU  26  11.233   2.410  -6.230
  234    H    LEU  27           H        LEU  27   5.980   1.900  -6.238
  235    HA   LEU  27           HA       LEU  27   5.167   0.766  -3.827
  236    HB2  LEU  27           1HB      LEU  27   4.133   2.734  -5.007
  237    HB3  LEU  27           2HB      LEU  27   3.372   1.613  -6.110
  238    HG   LEU  27           HG       LEU  27   1.896   2.535  -4.288
  239   HD11  LEU  27          1HD1      LEU  27   1.277   0.518  -5.502
  240   HD12  LEU  27          2HD1      LEU  27   0.787   0.413  -3.811
  241   HD13  LEU  27          3HD1      LEU  27   2.210  -0.461  -4.376
  242   HD21  LEU  27          3HD2      LEU  27   3.482   2.501  -2.460
  243   HD22  LEU  27          1HD2      LEU  27   3.601   0.745  -2.567
  244   HD23  LEU  27          2HD2      LEU  27   2.084   1.498  -2.067
  245    H    HIS  28           H        HIS  28   4.310  -0.217  -7.149
  246    HA   HIS  28           HA       HIS  28   2.836  -2.489  -6.284
  247    HB2  HIS  28           1HB      HIS  28   2.595  -1.234  -8.504
  248    HB3  HIS  28           2HB      HIS  28   4.007  -2.142  -9.042
  249    HD1  HIS  28           HD1      HIS  28   3.597  -4.934  -8.519
  250    HD2  HIS  28           HD2      HIS  28   0.324  -2.466  -9.206
  251    HE1  HIS  28           HE1      HIS  28   1.671  -6.456  -9.073
  252    H    GLN  29           H        GLN  29   6.149  -1.987  -7.375
  253    HA   GLN  29           HA       GLN  29   6.921  -4.680  -7.541
  254    HB2  GLN  29           1HB      GLN  29   8.484  -2.181  -6.905
  255    HB3  GLN  29           2HB      GLN  29   9.245  -3.761  -7.046
  256    HG2  GLN  29           1HG      GLN  29   7.662  -2.392  -9.212
  257    HG3  GLN  29           2HG      GLN  29   9.421  -2.442  -9.105
  258   HE21  GLN  29          1HE2      GLN  29   9.458  -5.186  -8.115
  259   HE22  GLN  29          2HE2      GLN  29   9.082  -6.192  -9.469
  260    H    TYR  30           H        TYR  30   6.831  -2.442  -4.814
  261    HA   TYR  30           HA       TYR  30   8.012  -4.253  -2.956
  262    HB2  TYR  30           1HB      TYR  30   7.889  -1.706  -2.783
  263    HB3  TYR  30           2HB      TYR  30   6.215  -1.916  -2.285
  264    HD1  TYR  30           HD1      TYR  30   9.395  -3.667  -1.406
  265    HD2  TYR  30           HD2      TYR  30   6.004  -1.510  -0.023
  266    HE1  TYR  30           HE1      TYR  30  10.161  -3.963   0.910
  267    HE2  TYR  30           HE2      TYR  30   6.755  -1.800   2.300
  268    HH   TYR  30           HH       TYR  30   8.174  -3.328   3.593
  269    H    ALA  31           H        ALA  31   4.839  -3.790  -4.237
  270    HA   ALA  31           HA       ALA  31   3.372  -4.990  -2.110
  271    HB1  ALA  31           3HB      ALA  31   1.529  -5.096  -3.746
  272    HB2  ALA  31           1HB      ALA  31   2.645  -4.596  -5.016
  273    HB3  ALA  31           2HB      ALA  31   2.275  -3.500  -3.684
  274    H    GLN  32           H        GLN  32   4.760  -6.145  -5.139
  275    HA   GLN  32           HA       GLN  32   3.614  -8.759  -4.957
  276    HB2  GLN  32           1HB      GLN  32   5.915  -7.720  -6.615
  277    HB3  GLN  32           2HB      GLN  32   5.190  -9.309  -6.793
  278    HG2  GLN  32           1HG      GLN  32   3.138  -8.389  -7.537
  279    HG3  GLN  32           2HG      GLN  32   3.633  -6.757  -7.103
  280   HE21  GLN  32          1HE2      GLN  32   3.905  -9.319  -9.416
  281   HE22  GLN  32          2HE2      GLN  32   4.719  -8.394 -10.639
  282    H    ARG  33           H        ARG  33   6.487  -7.260  -3.721
  283    HA   ARG  33           HA       ARG  33   7.888  -9.692  -3.180
  284    HB2  ARG  33           1HB      ARG  33   9.056  -7.517  -3.348
  285    HB3  ARG  33           2HB      ARG  33   8.222  -6.967  -1.899
  286    HG2  ARG  33           1HG      ARG  33   9.293  -8.776  -0.621
  287    HG3  ARG  33           2HG      ARG  33  10.170  -9.259  -2.072
  288    HD2  ARG  33           1HD      ARG  33  11.212  -7.024  -2.147
  289    HD3  ARG  33           2HD      ARG  33  10.381  -6.613  -0.645
  290    HE   ARG  33           HE       ARG  33  12.088  -8.983  -0.640
  291   HH11  ARG  33          1HH1      ARG  33  11.698  -5.605   0.230
  292   HH12  ARG  33          2HH1      ARG  33  12.941  -5.642   1.441
  293   HH21  ARG  33          1HH2      ARG  33  13.747  -9.028   0.925
  294   HH22  ARG  33          2HH2      ARG  33  14.115  -7.586   1.820
  295    H    LEU  34           H        LEU  34   5.510  -7.765  -1.494
  296    HA   LEU  34           HA       LEU  34   5.974  -9.230   0.983
  297    HB2  LEU  34           1HB      LEU  34   4.229  -6.853   0.363
  298    HB3  LEU  34           2HB      LEU  34   4.356  -7.601   1.944
  299    HG   LEU  34           HG       LEU  34   6.600  -6.246   0.445
  300   HD11  LEU  34          1HD1      LEU  34   4.979  -4.668   1.309
  301   HD12  LEU  34          2HD1      LEU  34   6.471  -4.592   2.249
  302   HD13  LEU  34          3HD1      LEU  34   5.057  -5.426   2.899
  303   HD21  LEU  34          3HD2      LEU  34   7.895  -6.564   2.494
  304   HD22  LEU  34          1HD2      LEU  34   7.427  -8.106   1.780
  305   HD23  LEU  34          2HD2      LEU  34   6.567  -7.492   3.190
  306    H    GLY  35           H        GLY  35   3.752  -9.178  -1.667
  307    HA2  GLY  35           1HA      GLY  35   2.460 -11.196  -1.988
  308    HA3  GLY  35           2HA      GLY  35   2.218 -11.265  -0.248
  309    H    LEU  36           H        LEU  36   1.796  -8.531  -2.490
  310    HA   LEU  36           HA       LEU  36  -0.869  -8.229  -1.312
  311    HB2  LEU  36           1HB      LEU  36   0.742  -6.218  -2.875
  312    HB3  LEU  36           2HB      LEU  36  -0.797  -5.926  -2.084
  313    HG   LEU  36           HG       LEU  36   1.856  -6.478  -0.760
  314   HD11  LEU  36          1HD1      LEU  36   1.436  -4.325   0.300
  315   HD12  LEU  36          2HD1      LEU  36  -0.084  -4.175  -0.583
  316   HD13  LEU  36          3HD1      LEU  36   1.449  -4.176  -1.457
  317   HD21  LEU  36          3HD2      LEU  36   0.188  -7.787   0.389
  318   HD22  LEU  36          1HD2      LEU  36  -0.898  -6.399   0.460
  319   HD23  LEU  36          2HD2      LEU  36   0.614  -6.382   1.366
  320    H    ASN  37           H        ASN  37  -2.660  -8.296  -2.415
  321    HA   ASN  37           HA       ASN  37  -2.623  -8.762  -5.283
  322    HB2  ASN  37           1HB      ASN  37  -5.124  -9.035  -4.935
  323    HB3  ASN  37           2HB      ASN  37  -4.112 -10.212  -4.113
  324   HD21  ASN  37          1HD2      ASN  37  -4.458  -6.928  -2.937
  325   HD22  ASN  37          2HD2      ASN  37  -5.383  -7.340  -1.525
  326    H    GLU  38           H        GLU  38  -4.315  -7.525  -6.575
  327    HA   GLU  38           HA       GLU  38  -3.522  -4.812  -6.471
  328    HB2  GLU  38           1HB      GLU  38  -5.690  -6.116  -8.123
  329    HB3  GLU  38           2HB      GLU  38  -5.034  -4.506  -8.392
  330    HG2  GLU  38           1HG      GLU  38  -3.879  -5.766  -9.931
  331    HG3  GLU  38           2HG      GLU  38  -2.760  -5.723  -8.570
  332    H    GLU  39           H        GLU  39  -6.152  -6.468  -5.017
  333    HA   GLU  39           HA       GLU  39  -8.132  -4.578  -4.736
  334    HB2  GLU  39           1HB      GLU  39  -8.359  -6.812  -3.831
  335    HB3  GLU  39           2HB      GLU  39  -7.043  -6.532  -2.701
  336    HG2  GLU  39           1HG      GLU  39  -9.089  -6.413  -1.499
  337    HG3  GLU  39           2HG      GLU  39  -8.433  -4.782  -1.613
  338    H    ALA  40           H        ALA  40  -5.391  -5.092  -2.574
  339    HA   ALA  40           HA       ALA  40  -5.913  -2.756  -1.021
  340    HB1  ALA  40           3HB      ALA  40  -4.812  -4.759  -0.107
  341    HB2  ALA  40           1HB      ALA  40  -3.854  -3.298   0.132
  342    HB3  ALA  40           2HB      ALA  40  -3.417  -4.440  -1.138
  343    H    ILE  41           H        ILE  41  -3.809  -3.558  -3.698
  344    HA   ILE  41           HA       ILE  41  -2.045  -1.396  -3.533
  345    HB   ILE  41           HB       ILE  41  -2.936  -2.843  -6.031
  346   HG12  ILE  41          1HG1      ILE  41  -0.585  -3.375  -4.201
  347   HG13  ILE  41          2HG1      ILE  41  -2.059  -4.336  -4.259
  348   HG21  ILE  41          1HG2      ILE  41  -0.445  -1.225  -5.485
  349   HG22  ILE  41          2HG2      ILE  41  -1.791  -0.738  -6.517
  350   HG23  ILE  41          3HG2      ILE  41  -0.792  -2.120  -6.966
  351   HD11  ILE  41          3HD1      ILE  41  -1.567  -4.983  -6.541
  352   HD12  ILE  41          1HD1      ILE  41  -0.223  -5.386  -5.473
  353   HD13  ILE  41          2HD1      ILE  41  -0.119  -3.977  -6.532
  354    H    ARG  42           H        ARG  42  -5.081  -1.746  -5.369
  355    HA   ARG  42           HA       ARG  42  -4.898   0.954  -6.356
  356    HB2  ARG  42           1HB      ARG  42  -6.012  -0.918  -7.614
  357    HB3  ARG  42           2HB      ARG  42  -7.308  -0.869  -6.426
  358    HG2  ARG  42           1HG      ARG  42  -7.587   1.569  -7.035
  359    HG3  ARG  42           2HG      ARG  42  -6.519   1.244  -8.397
  360    HD2  ARG  42           1HD      ARG  42  -8.644   0.986  -9.304
  361    HD3  ARG  42           2HD      ARG  42  -8.144  -0.668  -8.947
  362    HE   ARG  42           HE       ARG  42  -9.498   0.326  -6.710
  363   HH11  ARG  42          1HH1      ARG  42 -10.161  -0.594 -10.026
  364   HH12  ARG  42          2HH1      ARG  42 -11.842  -0.939  -9.728
  365   HH21  ARG  42          1HH2      ARG  42 -11.680  -0.093  -6.314
  366   HH22  ARG  42          2HH2      ARG  42 -12.708  -0.656  -7.598
  367    H    GLN  43           H        GLN  43  -6.627  -0.739  -3.795
  368    HA   GLN  43           HA       GLN  43  -8.521   1.282  -3.290
  369    HB2  GLN  43           1HB      GLN  43  -8.410  -1.221  -2.489
  370    HB3  GLN  43           2HB      GLN  43  -7.613  -0.515  -1.086
  371    HG2  GLN  43           1HG      GLN  43  -9.576   1.015  -0.851
  372    HG3  GLN  43           2HG      GLN  43 -10.374   0.077  -2.116
  373   HE21  GLN  43          1HE2      GLN  43 -10.919  -2.107  -1.692
  374   HE22  GLN  43          2HE2      GLN  43 -11.091  -2.672  -0.067
  375    H    PHE  44           H        PHE  44  -5.265   0.774  -2.127
  376    HA   PHE  44           HA       PHE  44  -5.252   2.552   0.028
  377    HB2  PHE  44           1HB      PHE  44  -3.395   0.935  -1.168
  378    HB3  PHE  44           2HB      PHE  44  -2.805   2.527  -1.623
  379    HD1  PHE  44           HD1      PHE  44  -4.454   1.413   1.525
  380    HD2  PHE  44           HD2      PHE  44  -0.907   2.871  -0.323
  381    HE1  PHE  44           HE1      PHE  44  -3.382   1.600   3.737
  382    HE2  PHE  44           HE2      PHE  44   0.168   3.065   1.887
  383    HZ   PHE  44           HZ       PHE  44  -1.069   2.424   3.920
  384    H    PHE  45           H        PHE  45  -5.004   3.121  -3.440
  385    HA   PHE  45           HA       PHE  45  -4.598   5.976  -3.002
  386    HB2  PHE  45           1HB      PHE  45  -4.766   4.364  -5.553
  387    HB3  PHE  45           2HB      PHE  45  -4.492   6.100  -5.490
  388    HD1  PHE  45           HD1      PHE  45  -2.426   6.914  -4.210
  389    HD2  PHE  45           HD2      PHE  45  -2.988   2.882  -5.454
  390    HE1  PHE  45           HE1      PHE  45  -0.003   6.523  -4.021
  391    HE2  PHE  45           HE2      PHE  45  -0.570   2.486  -5.266
  392    HZ   PHE  45           HZ       PHE  45   0.927   4.305  -4.549
  393    H    GLU  46           H        GLU  46  -7.070   3.765  -4.241
  394    HA   GLU  46           HA       GLU  46  -8.762   5.779  -5.305
  395    HB2  GLU  46           1HB      GLU  46 -10.263   4.066  -5.798
  396    HB3  GLU  46           2HB      GLU  46  -8.717   3.233  -5.771
  397    HG2  GLU  46           1HG      GLU  46  -9.204   2.514  -3.445
  398    HG3  GLU  46           2HG      GLU  46 -10.809   3.224  -3.615
  399    H    GLU  47           H        GLU  47  -8.513   4.236  -2.193
  400    HA   GLU  47           HA       GLU  47 -10.515   6.135  -1.164
  401    HB2  GLU  47           1HB      GLU  47  -9.829   3.352  -0.219
  402    HB3  GLU  47           2HB      GLU  47 -10.830   4.467   0.706
  403    HG2  GLU  47           1HG      GLU  47 -12.342   4.592  -1.303
  404    HG3  GLU  47           2HG      GLU  47 -11.408   3.269  -1.991
  405    H    PHE  48           H        PHE  48  -8.053   7.028  -1.555
  406    HA   PHE  48           HA       PHE  48  -6.287   6.698   0.666
  407    HB2  PHE  48           1HB      PHE  48  -5.737   7.406  -1.767
  408    HB3  PHE  48           2HB      PHE  48  -6.256   9.007  -1.261
  409    HD1  PHE  48           HD1      PHE  48  -3.953   6.301  -0.123
  410    HD2  PHE  48           HD2      PHE  48  -4.653  10.473  -0.561
  411    HE1  PHE  48           HE1      PHE  48  -1.688   6.768   0.719
  412    HE2  PHE  48           HE2      PHE  48  -2.390  10.948   0.275
  413    HZ   PHE  48           HZ       PHE  48  -0.904   9.094   0.920
  414    H    GLU  49           H        GLU  49  -5.530   8.716   1.852
  415    HA   GLU  49           HA       GLU  49  -7.709   9.657   3.413
  416    HB2  GLU  49           1HB      GLU  49  -5.990  10.873   4.684
  417    HB3  GLU  49           2HB      GLU  49  -5.535   9.196   4.413
  418    HG2  GLU  49           1HG      GLU  49  -4.121   9.951   2.510
  419    HG3  GLU  49           2HG      GLU  49  -4.497  11.614   2.957
  420    H    GLN  50           H        GLN  50  -6.401  10.749   0.530
  421    HA   GLN  50           HA       GLN  50  -7.011  13.557   1.016
  422    HB2  GLN  50           1HB      GLN  50  -5.854  12.186  -1.417
  423    HB3  GLN  50           2HB      GLN  50  -6.056  13.923  -1.231
  424    HG2  GLN  50           1HG      GLN  50  -4.332  12.193   0.523
  425    HG3  GLN  50           2HG      GLN  50  -3.751  13.150  -0.837
  426   HE21  GLN  50          1HE2      GLN  50  -5.549  15.370  -0.297
  427   HE22  GLN  50          2HE2      GLN  50  -4.912  16.179   1.095
  428    H    ARG  51           H        ARG  51  -8.844  11.001   0.394
  429    HA   ARG  51           HA       ARG  51 -10.545  12.468  -1.501
  430    HB2  ARG  51           1HB      ARG  51  -9.922   9.575  -1.280
  431    HB3  ARG  51           2HB      ARG  51 -11.558  10.015  -1.757
  432    HG2  ARG  51           1HG      ARG  51 -10.637  11.376  -3.587
  433    HG3  ARG  51           2HG      ARG  51  -9.016  10.862  -3.120
  434    HD2  ARG  51           1HD      ARG  51  -9.416   8.643  -3.746
  435    HD3  ARG  51           2HD      ARG  51 -11.163   8.884  -3.796
  436    HE   ARG  51           HE       ARG  51 -10.753  10.330  -5.775
  437   HH11  ARG  51          1HH1      ARG  51  -8.383   7.895  -4.901
  438   HH12  ARG  51          2HH1      ARG  51  -7.788   7.718  -6.525
  439   HH21  ARG  51          1HH2      ARG  51  -9.956  10.110  -7.881
  440   HH22  ARG  51          2HH2      ARG  51  -8.659   9.004  -8.212
  441    H    LYS  52           H        LYS  52 -12.925  11.642  -1.292
  442    HA   LYS  52           HA       LYS  52 -14.825  12.073  -0.162
  443    HB2  LYS  52           1HB      LYS  52 -13.289  10.769   2.089
  444    HB3  LYS  52           2HB      LYS  52 -14.931  11.358   2.297
  445    HG2  LYS  52           1HG      LYS  52 -15.618   9.834   0.421
  446    HG3  LYS  52           2HG      LYS  52 -13.988   9.153   0.478
  447    HD2  LYS  52           1HD      LYS  52 -14.308   8.429   2.739
  448    HD3  LYS  52           2HD      LYS  52 -15.845   9.289   2.849
  449    HE2  LYS  52           1HE      LYS  52 -16.751   7.819   1.083
  450    HE3  LYS  52           2HE      LYS  52 -15.233   6.924   1.080
  451    HZ1  LYS  52           3HZ      LYS  52 -15.617   6.300   3.370
  452    HZ2  LYS  52           1HZ      LYS  52 -16.943   5.844   2.420
  453    HZ3  LYS  52           2HZ      LYS  52 -17.046   7.210   3.420
  Start of MODEL   22
    1    H1   MET   1           1H       MET   1  -5.717  -8.076   6.168
    2    H2   MET   1           2H       MET   1  -4.427  -9.098   5.771
    3    H3   MET   1           3H       MET   1  -4.647  -8.597   7.374
    4    HA   MET   1           HA       MET   1  -5.364 -10.870   7.072
    5    HB2  MET   1           1HB      MET   1  -7.542  -8.845   7.597
    6    HB3  MET   1           2HB      MET   1  -7.737 -10.569   7.882
    7    HG2  MET   1           1HG      MET   1  -5.661  -8.825   9.182
    8    HG3  MET   1           2HG      MET   1  -7.188  -9.313   9.915
    9    HE1  MET   1           3HE      MET   1  -6.745 -13.178  10.269
   10    HE2  MET   1           1HE      MET   1  -7.543 -12.279   8.979
   11    HE3  MET   1           2HE      MET   1  -7.765 -11.793  10.662
   12    H    LYS   2           H        LYS   2  -7.912  -8.879   5.534
   13    HA   LYS   2           HA       LYS   2  -8.544 -11.247   3.927
   14    HB2  LYS   2           1HB      LYS   2 -10.755 -10.134   3.612
   15    HB3  LYS   2           2HB      LYS   2 -10.388 -10.516   5.289
   16    HG2  LYS   2           1HG      LYS   2  -9.878  -8.241   5.767
   17    HG3  LYS   2           2HG      LYS   2  -9.943  -7.808   4.060
   18    HD2  LYS   2           1HD      LYS   2 -11.968  -7.049   5.044
   19    HD3  LYS   2           2HD      LYS   2 -12.367  -8.471   4.085
   20    HE2  LYS   2           1HE      LYS   2 -11.835  -8.611   7.042
   21    HE3  LYS   2           2HE      LYS   2 -13.435  -8.279   6.388
   22    HZ1  LYS   2           3HZ      LYS   2 -13.366 -10.571   6.771
   23    HZ2  LYS   2           1HZ      LYS   2 -11.817 -10.742   6.102
   24    HZ3  LYS   2           2HZ      LYS   2 -13.140 -10.417   5.093
   25    H    GLN   3           H        GLN   3  -6.611  -8.909   3.339
   26    HA   GLN   3           HA       GLN   3  -7.358  -8.618   0.539
   27    HB2  GLN   3           1HB      GLN   3  -7.155  -6.256   2.406
   28    HB3  GLN   3           2HB      GLN   3  -6.964  -6.095   0.671
   29    HG2  GLN   3           1HG      GLN   3  -9.229  -6.895   0.333
   30    HG3  GLN   3           2HG      GLN   3  -9.414  -7.150   2.068
   31   HE21  GLN   3          1HE2      GLN   3  -9.260  -4.811  -0.490
   32   HE22  GLN   3          2HE2      GLN   3  -9.802  -3.463   0.441
   33    H    TRP   4           H        TRP   4  -5.233  -7.242   2.976
   34    HA   TRP   4           HA       TRP   4  -2.927  -8.065   1.368
   35    HB2  TRP   4           1HB      TRP   4  -1.728  -6.104   2.490
   36    HB3  TRP   4           2HB      TRP   4  -2.879  -5.719   1.224
   37    HD1  TRP   4           HD1      TRP   4  -5.201  -6.249   3.826
   38    HE1  TRP   4           HE1      TRP   4  -5.723  -4.117   5.171
   39    HE3  TRP   4           HE3      TRP   4  -1.209  -3.412   2.410
   40    HZ2  TRP   4           HZ2      TRP   4  -4.594  -1.573   5.570
   41    HZ3  TRP   4           HZ3      TRP   4  -1.002  -1.133   3.318
   42    HH2  TRP   4           HH2      TRP   4  -2.664  -0.231   4.863
   43    H    SER   5           H        SER   5  -1.104  -8.817   2.502
   44    HA   SER   5           HA       SER   5  -1.620 -10.494   4.634
   45    HB2  SER   5           1HB      SER   5   1.062  -9.317   3.872
   46    HB3  SER   5           2HB      SER   5   0.787 -10.810   4.769
   47    HG   SER   5           HG       SER   5   1.190 -11.076   2.468
   48    H    GLU   6           H        GLU   6  -1.739 -10.254   6.763
   49    HA   GLU   6           HA       GLU   6  -2.200  -7.957   8.086
   50    HB2  GLU   6           1HB      GLU   6  -2.589 -10.148   9.053
   51    HB3  GLU   6           2HB      GLU   6  -0.859 -10.396   9.237
   52    HG2  GLU   6           1HG      GLU   6  -0.774  -8.488  10.788
   53    HG3  GLU   6           2HG      GLU   6  -2.524  -8.324  10.642
   54    H    ASN   7           H        ASN   7   1.049  -9.444   7.937
   55    HA   ASN   7           HA       ASN   7   2.237  -7.385   9.499
   56    HB2  ASN   7           1HB      ASN   7   4.416  -8.356   8.603
   57    HB3  ASN   7           2HB      ASN   7   3.380  -9.434   9.525
   58   HD21  ASN   7          1HD2      ASN   7   4.366 -11.225   8.615
   59   HD22  ASN   7          2HD2      ASN   7   4.026 -11.731   6.989
   60    H    VAL   8           H        VAL   8   1.426  -7.652   6.203
   61    HA   VAL   8           HA       VAL   8   3.178  -5.546   5.298
   62    HB   VAL   8           HB       VAL   8   0.799  -6.823   3.932
   63   HG11  VAL   8          1HG1      VAL   8   1.856  -5.929   1.870
   64   HG12  VAL   8          2HG1      VAL   8   2.973  -5.022   2.893
   65   HG13  VAL   8          3HG1      VAL   8   1.238  -4.690   2.961
   66   HG21  VAL   8          3HG2      VAL   8   3.748  -7.396   3.666
   67   HG22  VAL   8          1HG2      VAL   8   2.470  -8.103   2.675
   68   HG23  VAL   8          2HG2      VAL   8   2.542  -8.450   4.403
   69    H    GLU   9           H        GLU   9  -0.130  -5.925   6.393
   70    HA   GLU   9           HA       GLU   9  -1.291  -3.531   5.659
   71    HB2  GLU   9           1HB      GLU   9  -1.591  -4.976   8.306
   72    HB3  GLU   9           2HB      GLU   9  -2.708  -3.774   7.667
   73    HG2  GLU   9           1HG      GLU   9  -3.110  -5.282   5.732
   74    HG3  GLU   9           2HG      GLU   9  -2.117  -6.495   6.537
   75    H    GLU  10           H        GLU  10   0.540  -4.213   8.609
   76    HA   GLU  10           HA       GLU  10   0.661  -1.623   9.637
   77    HB2  GLU  10           1HB      GLU  10   1.331  -3.330  11.091
   78    HB3  GLU  10           2HB      GLU  10   2.391  -4.067   9.895
   79    HG2  GLU  10           1HG      GLU  10   3.874  -2.075  10.092
   80    HG3  GLU  10           2HG      GLU  10   2.866  -1.525  11.436
   81    H    LYS  11           H        LYS  11   3.024  -3.355   7.624
   82    HA   LYS  11           HA       LYS  11   4.917  -1.260   7.839
   83    HB2  LYS  11           1HB      LYS  11   5.520  -3.616   7.605
   84    HB3  LYS  11           2HB      LYS  11   4.889  -3.618   5.964
   85    HG2  LYS  11           1HG      LYS  11   6.572  -2.031   5.270
   86    HG3  LYS  11           2HG      LYS  11   7.163  -1.888   6.925
   87    HD2  LYS  11           1HD      LYS  11   7.198  -4.417   5.272
   88    HD3  LYS  11           2HD      LYS  11   8.582  -3.356   5.533
   89    HE2  LYS  11           1HE      LYS  11   7.080  -4.885   7.662
   90    HE3  LYS  11           2HE      LYS  11   8.668  -5.288   7.018
   91    HZ1  LYS  11           3HZ      LYS  11   7.962  -2.851   8.566
   92    HZ2  LYS  11           1HZ      LYS  11   9.485  -3.154   7.874
   93    HZ3  LYS  11           2HZ      LYS  11   8.896  -4.156   9.108
   94    H    LEU  12           H        LEU  12   2.687  -2.215   5.233
   95    HA   LEU  12           HA       LEU  12   3.777  -0.463   3.296
   96    HB2  LEU  12           1HB      LEU  12   2.271  -2.317   2.728
   97    HB3  LEU  12           2HB      LEU  12   0.947  -1.492   3.526
   98    HG   LEU  12           HG       LEU  12   1.254   0.381   1.871
   99   HD11  LEU  12          1HD1      LEU  12   2.427  -0.217  -0.220
  100   HD12  LEU  12          2HD1      LEU  12   3.063  -1.650   0.586
  101   HD13  LEU  12          3HD1      LEU  12   3.500  -0.042   1.167
  102   HD21  LEU  12          3HD2      LEU  12  -0.551  -1.189   1.617
  103   HD22  LEU  12          1HD2      LEU  12   0.520  -2.349   0.834
  104   HD23  LEU  12          2HD2      LEU  12   0.135  -0.827   0.033
  105    H    LYS  13           H        LYS  13   1.158  -0.099   5.645
  106    HA   LYS  13           HA       LYS  13   0.213   2.405   4.943
  107    HB2  LYS  13           1HB      LYS  13  -0.806   1.003   6.691
  108    HB3  LYS  13           2HB      LYS  13   0.589   1.277   7.724
  109    HG2  LYS  13           1HG      LYS  13   0.042   3.723   7.656
  110    HG3  LYS  13           2HG      LYS  13  -1.458   3.294   6.836
  111    HD2  LYS  13           1HD      LYS  13  -1.940   3.543   9.165
  112    HD3  LYS  13           2HD      LYS  13  -2.018   1.826   8.776
  113    HE2  LYS  13           1HE      LYS  13   0.193   1.481   9.722
  114    HE3  LYS  13           2HE      LYS  13   0.361   3.209  10.031
  115    HZ1  LYS  13           3HZ      LYS  13  -1.679   1.425  11.258
  116    HZ2  LYS  13           1HZ      LYS  13  -1.485   3.080  11.580
  117    HZ3  LYS  13           2HZ      LYS  13  -0.274   1.981  12.025
  118    H    GLU  14           H        GLU  14   2.834   1.601   7.189
  119    HA   GLU  14           HA       GLU  14   3.471   4.356   7.638
  120    HB2  GLU  14           1HB      GLU  14   4.967   1.852   8.413
  121    HB3  GLU  14           2HB      GLU  14   5.284   3.470   9.030
  122    HG2  GLU  14           1HG      GLU  14   2.956   3.513   9.911
  123    HG3  GLU  14           2HG      GLU  14   2.794   1.825   9.430
  124    H    PHE  15           H        PHE  15   4.488   1.946   5.369
  125    HA   PHE  15           HA       PHE  15   6.995   3.159   4.747
  126    HB2  PHE  15           1HB      PHE  15   6.499   0.775   4.319
  127    HB3  PHE  15           2HB      PHE  15   5.310   1.254   3.115
  128    HD1  PHE  15           HD1      PHE  15   8.862   2.099   3.895
  129    HD2  PHE  15           HD2      PHE  15   6.008   0.962   0.949
  130    HE1  PHE  15           HE1      PHE  15  10.631   2.099   2.187
  131    HE2  PHE  15           HE2      PHE  15   7.773   0.963  -0.760
  132    HZ   PHE  15           HZ       PHE  15  10.086   1.530  -0.146
  133    H    VAL  16           H        VAL  16   3.699   3.585   3.699
  134    HA   VAL  16           HA       VAL  16   4.496   5.337   1.520
  135    HB   VAL  16           HB       VAL  16   1.734   4.650   2.552
  136   HG11  VAL  16          1HG1      VAL  16   2.568   6.101   0.041
  137   HG12  VAL  16          2HG1      VAL  16   1.760   6.815   1.436
  138   HG13  VAL  16          3HG1      VAL  16   0.924   5.616   0.453
  139   HG21  VAL  16          3HG2      VAL  16   2.871   2.715   1.607
  140   HG22  VAL  16          1HG2      VAL  16   3.250   3.632   0.149
  141   HG23  VAL  16          2HG2      VAL  16   1.573   3.252   0.541
  142    H    LYS  17           H        LYS  17   2.876   5.566   4.672
  143    HA   LYS  17           HA       LYS  17   2.538   8.424   4.468
  144    HB2  LYS  17           1HB      LYS  17   2.114   6.540   6.786
  145    HB3  LYS  17           2HB      LYS  17   1.689   8.242   6.786
  146    HG2  LYS  17           1HG      LYS  17   0.525   6.160   4.955
  147    HG3  LYS  17           2HG      LYS  17  -0.242   6.794   6.412
  148    HD2  LYS  17           1HD      LYS  17  -0.007   9.088   5.350
  149    HD3  LYS  17           2HD      LYS  17   0.383   8.237   3.853
  150    HE2  LYS  17           1HE      LYS  17  -1.961   8.761   3.864
  151    HE3  LYS  17           2HE      LYS  17  -1.763   7.019   4.039
  152    HZ1  LYS  17           3HZ      LYS  17  -3.452   7.921   5.539
  153    HZ2  LYS  17           1HZ      LYS  17  -2.284   8.912   6.273
  154    HZ3  LYS  17           2HZ      LYS  17  -2.165   7.223   6.399
  155    H    ARG  18           H        ARG  18   4.473   6.270   6.527
  156    HA   ARG  18           HA       ARG  18   5.587   8.622   7.853
  157    HB2  ARG  18           1HB      ARG  18   5.590   5.700   8.615
  158    HB3  ARG  18           2HB      ARG  18   6.304   6.986   9.580
  159    HG2  ARG  18           1HG      ARG  18   4.170   7.998   9.940
  160    HG3  ARG  18           2HG      ARG  18   3.403   6.901   8.791
  161    HD2  ARG  18           1HD      ARG  18   3.781   5.025  10.240
  162    HD3  ARG  18           2HD      ARG  18   4.740   6.017  11.343
  163    HE   ARG  18           HE       ARG  18   2.138   7.097  11.033
  164   HH11  ARG  18          1HH1      ARG  18   3.801   4.406  12.546
  165   HH12  ARG  18          2HH1      ARG  18   2.688   4.314  13.886
  166   HH21  ARG  18          1HH2      ARG  18   0.676   6.973  12.787
  167   HH22  ARG  18          2HH2      ARG  18   0.898   5.748  13.998
  168    H    HIS  19           H        HIS  19   6.440   6.888   5.270
  169    HA   HIS  19           HA       HIS  19   9.295   6.946   5.947
  170    HB2  HIS  19           1HB      HIS  19   7.690   5.216   4.154
  171    HB3  HIS  19           2HB      HIS  19   9.310   5.633   3.602
  172    HD1  HIS  19           HD1      HIS  19  11.102   4.088   4.418
  173    HD2  HIS  19           HD2      HIS  19   7.775   4.099   6.910
  174    HE1  HIS  19           HE1      HIS  19  11.543   2.351   6.199
  175    H    GLN  20           H        GLN  20  10.069   6.874   3.137
  176    HA   GLN  20           HA       GLN  20  10.142   9.747   2.778
  177    HB2  GLN  20           1HB      GLN  20  11.469   7.531   1.202
  178    HB3  GLN  20           2HB      GLN  20  11.797   9.246   1.021
  179    HG2  GLN  20           1HG      GLN  20  13.559   8.397   2.302
  180    HG3  GLN  20           2HG      GLN  20  12.511   9.231   3.445
  181   HE21  GLN  20          1HE2      GLN  20  13.241   8.080   5.200
  182   HE22  GLN  20          2HE2      GLN  20  12.881   6.404   5.443
  183    H    ARG  21           H        ARG  21   7.808   7.767   2.066
  184    HA   ARG  21           HA       ARG  21   6.239   7.433   0.480
  185    HB2  ARG  21           1HB      ARG  21   7.289  10.053  -0.611
  186    HB3  ARG  21           2HB      ARG  21   5.835   9.253  -1.186
  187    HG2  ARG  21           1HG      ARG  21   4.907   9.429   1.108
  188    HG3  ARG  21           2HG      ARG  21   6.335  10.361   1.563
  189    HD2  ARG  21           1HD      ARG  21   4.285  11.095  -0.523
  190    HD3  ARG  21           2HD      ARG  21   4.521  11.857   1.045
  191    HE   ARG  21           HE       ARG  21   6.910  11.971  -0.463
  192   HH11  ARG  21          1HH1      ARG  21   3.708  13.390  -0.319
  193   HH12  ARG  21          2HH1      ARG  21   4.219  14.918  -0.981
  194   HH21  ARG  21          1HH2      ARG  21   7.573  13.938  -1.367
  195   HH22  ARG  21          2HH2      ARG  21   6.419  15.216  -1.616
  196    H    ILE  22           H        ILE  22   6.092   7.472  -2.214
  197    HA   ILE  22           HA       ILE  22   8.471   6.569  -3.466
  198    HB   ILE  22           HB       ILE  22   8.258   4.792  -1.798
  199   HG12  ILE  22          1HG1      ILE  22   7.543   3.734  -4.536
  200   HG13  ILE  22          2HG1      ILE  22   9.158   4.259  -4.059
  201   HG21  ILE  22          1HG2      ILE  22   6.364   3.231  -1.864
  202   HG22  ILE  22          2HG2      ILE  22   5.572   4.268  -3.050
  203   HG23  ILE  22          3HG2      ILE  22   5.878   4.867  -1.421
  204   HD11  ILE  22          3HD1      ILE  22   9.183   2.532  -2.323
  205   HD12  ILE  22          1HD1      ILE  22   8.977   1.857  -3.939
  206   HD13  ILE  22          2HD1      ILE  22   7.591   1.994  -2.858
  207    H    THR  23           H        THR  23   8.125   5.873  -5.631
  208    HA   THR  23           HA       THR  23   5.703   6.818  -6.829
  209    HB   THR  23           HB       THR  23   6.754   5.945  -8.956
  210    HG1  THR  23           HG1      THR  23   9.181   5.580  -8.450
  211   HG21  THR  23          3HG2      THR  23   7.042   8.269  -8.191
  212   HG22  THR  23          1HG2      THR  23   8.470   7.676  -9.034
  213   HG23  THR  23          2HG2      THR  23   8.467   7.780  -7.274
  214    H    GLN  24           H        GLN  24   4.516   5.467  -8.443
  215    HA   GLN  24           HA       GLN  24   3.319   3.316  -7.031
  216    HB2  GLN  24           1HB      GLN  24   2.067   4.806  -8.508
  217    HB3  GLN  24           2HB      GLN  24   2.970   4.211  -9.893
  218    HG2  GLN  24           1HG      GLN  24   2.031   1.976  -9.526
  219    HG3  GLN  24           2HG      GLN  24   1.092   2.607  -8.173
  220   HE21  GLN  24          1HE2      GLN  24   0.633   5.161  -9.558
  221   HE22  GLN  24          2HE2      GLN  24  -0.570   4.841 -10.760
  222    H    GLU  25           H        GLU  25   5.440   3.430  -9.876
  223    HA   GLU  25           HA       GLU  25   5.304   0.730 -10.570
  224    HB2  GLU  25           1HB      GLU  25   6.306   2.474 -11.995
  225    HB3  GLU  25           2HB      GLU  25   7.651   2.612 -10.872
  226    HG2  GLU  25           1HG      GLU  25   8.428   0.437 -11.404
  227    HG3  GLU  25           2HG      GLU  25   6.960   0.064 -12.308
  228    H    GLU  26           H        GLU  26   7.603   2.397  -8.433
  229    HA   GLU  26           HA       GLU  26   9.008   0.053  -7.691
  230    HB2  GLU  26           1HB      GLU  26   8.714   2.698  -6.264
  231    HB3  GLU  26           2HB      GLU  26   9.849   1.439  -5.805
  232    HG2  GLU  26           1HG      GLU  26   9.827   2.874  -8.448
  233    HG3  GLU  26           2HG      GLU  26  10.888   3.249  -7.092
  234    H    LEU  27           H        LEU  27   6.169   1.690  -6.462
  235    HA   LEU  27           HA       LEU  27   5.943   0.326  -4.009
  236    HB2  LEU  27           1HB      LEU  27   4.757   2.458  -4.848
  237    HB3  LEU  27           2HB      LEU  27   3.606   1.368  -5.591
  238    HG   LEU  27           HG       LEU  27   2.913   2.323  -3.368
  239   HD11  LEU  27          1HD1      LEU  27   3.134  -0.686  -3.484
  240   HD12  LEU  27          2HD1      LEU  27   1.899   0.285  -4.287
  241   HD13  LEU  27          3HD1      LEU  27   1.980   0.246  -2.526
  242   HD21  LEU  27          3HD2      LEU  27   4.949   0.403  -2.253
  243   HD22  LEU  27          1HD2      LEU  27   3.911   1.510  -1.358
  244   HD23  LEU  27          2HD2      LEU  27   5.207   2.144  -2.369
  245    H    HIS  28           H        HIS  28   4.484  -0.297  -7.203
  246    HA   HIS  28           HA       HIS  28   2.913  -2.482  -6.332
  247    HB2  HIS  28           1HB      HIS  28   2.664  -1.106  -8.499
  248    HB3  HIS  28           2HB      HIS  28   3.901  -2.172  -9.160
  249    HD1  HIS  28           HD1      HIS  28   3.226  -4.849  -8.971
  250    HD2  HIS  28           HD2      HIS  28   0.165  -2.048  -8.750
  251    HE1  HIS  28           HE1      HIS  28   1.073  -6.122  -9.317
  252    H    GLN  29           H        GLN  29   6.184  -2.257  -7.625
  253    HA   GLN  29           HA       GLN  29   6.668  -5.032  -7.852
  254    HB2  GLN  29           1HB      GLN  29   8.081  -2.964  -8.639
  255    HB3  GLN  29           2HB      GLN  29   8.800  -3.070  -7.040
  256    HG2  GLN  29           1HG      GLN  29   8.741  -5.363  -8.983
  257    HG3  GLN  29           2HG      GLN  29  10.062  -4.203  -8.877
  258   HE21  GLN  29          1HE2      GLN  29  10.006  -7.095  -8.402
  259   HE22  GLN  29          2HE2      GLN  29  10.604  -7.323  -6.793
  260    H    TYR  30           H        TYR  30   7.097  -2.706  -5.246
  261    HA   TYR  30           HA       TYR  30   8.169  -4.462  -3.319
  262    HB2  TYR  30           1HB      TYR  30   8.275  -1.980  -3.241
  263    HB3  TYR  30           2HB      TYR  30   6.549  -1.943  -2.914
  264    HD1  TYR  30           HD1      TYR  30   9.657  -3.506  -1.535
  265    HD2  TYR  30           HD2      TYR  30   5.889  -1.705  -0.723
  266    HE1  TYR  30           HE1      TYR  30  10.132  -3.608   0.878
  267    HE2  TYR  30           HE2      TYR  30   6.351  -1.807   1.689
  268    HH   TYR  30           HH       TYR  30   7.750  -3.094   3.241
  269    H    ALA  31           H        ALA  31   4.913  -3.766  -4.358
  270    HA   ALA  31           HA       ALA  31   3.508  -4.817  -2.155
  271    HB1  ALA  31           3HB      ALA  31   2.429  -3.412  -3.836
  272    HB2  ALA  31           1HB      ALA  31   1.591  -4.957  -3.687
  273    HB3  ALA  31           2HB      ALA  31   2.667  -4.666  -5.054
  274    H    GLN  32           H        GLN  32   4.578  -6.300  -5.191
  275    HA   GLN  32           HA       GLN  32   3.412  -8.841  -4.590
  276    HB2  GLN  32           1HB      GLN  32   5.530  -8.102  -6.616
  277    HB3  GLN  32           2HB      GLN  32   4.691  -9.645  -6.542
  278    HG2  GLN  32           1HG      GLN  32   2.551  -8.425  -6.892
  279    HG3  GLN  32           2HG      GLN  32   3.490  -6.954  -7.148
  280   HE21  GLN  32          1HE2      GLN  32   4.723  -6.744  -9.019
  281   HE22  GLN  32          2HE2      GLN  32   4.490  -7.775 -10.384
  282    H    ARG  33           H        ARG  33   6.321  -7.265  -3.748
  283    HA   ARG  33           HA       ARG  33   7.912  -9.568  -3.209
  284    HB2  ARG  33           1HB      ARG  33   8.798  -7.257  -3.619
  285    HB3  ARG  33           2HB      ARG  33   8.168  -6.788  -2.046
  286    HG2  ARG  33           1HG      ARG  33   9.633  -8.441  -0.981
  287    HG3  ARG  33           2HG      ARG  33  10.282  -8.871  -2.565
  288    HD2  ARG  33           1HD      ARG  33  10.494  -6.211  -1.165
  289    HD3  ARG  33           2HD      ARG  33  11.798  -7.350  -1.493
  290    HE   ARG  33           HE       ARG  33  10.358  -6.256  -3.787
  291   HH11  ARG  33          1HH1      ARG  33  13.261  -6.321  -1.829
  292   HH12  ARG  33          2HH1      ARG  33  14.200  -5.409  -2.972
  293   HH21  ARG  33          1HH2      ARG  33  11.586  -5.052  -5.290
  294   HH22  ARG  33          2HH2      ARG  33  13.260  -4.704  -4.944
  295    H    LEU  34           H        LEU  34   5.456  -7.825  -1.489
  296    HA   LEU  34           HA       LEU  34   6.153  -9.154   1.027
  297    HB2  LEU  34           1HB      LEU  34   4.286  -6.865   0.443
  298    HB3  LEU  34           2HB      LEU  34   4.488  -7.586   2.028
  299    HG   LEU  34           HG       LEU  34   6.611  -6.136   0.445
  300   HD11  LEU  34          1HD1      LEU  34   4.924  -4.675   1.423
  301   HD12  LEU  34          2HD1      LEU  34   6.474  -4.497   2.244
  302   HD13  LEU  34          3HD1      LEU  34   5.177  -5.424   3.000
  303   HD21  LEU  34          3HD2      LEU  34   7.613  -7.948   1.709
  304   HD22  LEU  34          1HD2      LEU  34   6.750  -7.442   3.162
  305   HD23  LEU  34          2HD2      LEU  34   7.994  -6.401   2.467
  306    H    GLY  35           H        GLY  35   3.871  -9.286  -1.525
  307    HA2  GLY  35           1HA      GLY  35   2.594 -11.362  -1.673
  308    HA3  GLY  35           2HA      GLY  35   2.317 -11.242   0.055
  309    H    LEU  36           H        LEU  36   2.028  -8.689  -2.398
  310    HA   LEU  36           HA       LEU  36  -0.736  -8.350  -1.470
  311    HB2  LEU  36           1HB      LEU  36   1.074  -6.315  -2.760
  312    HB3  LEU  36           2HB      LEU  36  -0.559  -6.029  -2.189
  313    HG   LEU  36           HG       LEU  36   1.846  -6.683  -0.493
  314   HD11  LEU  36          1HD1      LEU  36   0.098  -4.236  -0.686
  315   HD12  LEU  36          2HD1      LEU  36   1.752  -4.385  -1.280
  316   HD13  LEU  36          3HD1      LEU  36   1.427  -4.469   0.452
  317   HD21  LEU  36          3HD2      LEU  36   0.330  -6.449   1.416
  318   HD22  LEU  36          1HD2      LEU  36  -0.121  -7.809   0.389
  319   HD23  LEU  36          2HD2      LEU  36  -1.034  -6.304   0.309
  320    H    ASN  37           H        ASN  37  -2.056  -7.102  -3.065
  321    HA   ASN  37           HA       ASN  37  -1.709  -7.845  -5.840
  322    HB2  ASN  37           1HB      ASN  37  -4.134  -8.706  -5.849
  323    HB3  ASN  37           2HB      ASN  37  -2.901  -9.782  -5.213
  324   HD21  ASN  37          1HD2      ASN  37  -4.126  -7.045  -3.371
  325   HD22  ASN  37          2HD2      ASN  37  -4.984  -7.994  -2.200
  326    H    GLU  38           H        GLU  38  -3.427  -6.758  -7.186
  327    HA   GLU  38           HA       GLU  38  -3.438  -4.023  -6.687
  328    HB2  GLU  38           1HB      GLU  38  -5.288  -5.648  -8.441
  329    HB3  GLU  38           2HB      GLU  38  -5.192  -3.895  -8.468
  330    HG2  GLU  38           1HG      GLU  38  -2.910  -3.985  -9.226
  331    HG3  GLU  38           2HG      GLU  38  -2.899  -5.746  -9.079
  332    H    GLU  39           H        GLU  39  -5.720  -6.466  -5.748
  333    HA   GLU  39           HA       GLU  39  -8.016  -5.138  -5.098
  334    HB2  GLU  39           1HB      GLU  39  -7.939  -7.470  -4.777
  335    HB3  GLU  39           2HB      GLU  39  -6.503  -7.370  -3.772
  336    HG2  GLU  39           1HG      GLU  39  -7.801  -6.439  -1.953
  337    HG3  GLU  39           2HG      GLU  39  -9.252  -6.444  -2.965
  338    H    ALA  40           H        ALA  40  -5.161  -5.492  -3.037
  339    HA   ALA  40           HA       ALA  40  -6.246  -3.743  -1.015
  340    HB1  ALA  40           3HB      ALA  40  -4.872  -5.655  -0.366
  341    HB2  ALA  40           1HB      ALA  40  -4.130  -4.142   0.158
  342    HB3  ALA  40           2HB      ALA  40  -3.506  -4.986  -1.259
  343    H    ILE  41           H        ILE  41  -3.984  -3.561  -3.665
  344    HA   ILE  41           HA       ILE  41  -2.644  -1.203  -2.869
  345    HB   ILE  41           HB       ILE  41  -2.978  -2.322  -5.660
  346   HG12  ILE  41          1HG1      ILE  41  -0.766  -2.789  -3.642
  347   HG13  ILE  41          2HG1      ILE  41  -2.038  -3.947  -4.029
  348   HG21  ILE  41          1HG2      ILE  41  -2.192  -0.006  -5.641
  349   HG22  ILE  41          2HG2      ILE  41  -0.919  -1.107  -6.168
  350   HG23  ILE  41          3HG2      ILE  41  -0.898  -0.454  -4.531
  351   HD11  ILE  41          3HD1      ILE  41  -0.004  -2.891  -5.981
  352   HD12  ILE  41          1HD1      ILE  41  -1.230  -4.120  -6.297
  353   HD13  ILE  41          2HD1      ILE  41   0.077  -4.449  -5.156
  354    H    ARG  42           H        ARG  42  -5.205  -1.742  -5.295
  355    HA   ARG  42           HA       ARG  42  -5.484   0.986  -5.964
  356    HB2  ARG  42           1HB      ARG  42  -6.165  -0.946  -7.382
  357    HB3  ARG  42           2HB      ARG  42  -7.509  -1.170  -6.286
  358    HG2  ARG  42           1HG      ARG  42  -8.397   0.987  -6.843
  359    HG3  ARG  42           2HG      ARG  42  -7.019   1.305  -7.900
  360    HD2  ARG  42           1HD      ARG  42  -7.663  -0.612  -9.286
  361    HD3  ARG  42           2HD      ARG  42  -9.053  -0.893  -8.238
  362    HE   ARG  42           HE       ARG  42  -9.386   1.682  -9.023
  363   HH11  ARG  42          1HH1      ARG  42  -8.795  -1.301 -10.754
  364   HH12  ARG  42          2HH1      ARG  42  -9.676  -0.816 -12.169
  365   HH21  ARG  42          1HH2      ARG  42 -10.566   2.327 -10.881
  366   HH22  ARG  42          2HH2      ARG  42 -10.714   1.239 -12.230
  367    H    GLN  43           H        GLN  43  -7.152  -1.115  -3.688
  368    HA   GLN  43           HA       GLN  43  -9.195   0.634  -2.903
  369    HB2  GLN  43           1HB      GLN  43  -9.092  -1.768  -2.327
  370    HB3  GLN  43           2HB      GLN  43  -7.745  -1.443  -1.248
  371    HG2  GLN  43           1HG      GLN  43  -9.796  -1.699  -0.006
  372    HG3  GLN  43           2HG      GLN  43  -9.191  -0.050   0.137
  373   HE21  GLN  43          1HE2      GLN  43 -11.678  -2.091  -1.212
  374   HE22  GLN  43          2HE2      GLN  43 -12.772  -0.805  -1.605
  375    H    PHE  44           H        PHE  44  -5.864   0.293  -1.798
  376    HA   PHE  44           HA       PHE  44  -6.076   2.089   0.392
  377    HB2  PHE  44           1HB      PHE  44  -4.292   0.277  -0.068
  378    HB3  PHE  44           2HB      PHE  44  -3.519   1.494  -1.078
  379    HD1  PHE  44           HD1      PHE  44  -4.638   0.758   2.366
  380    HD2  PHE  44           HD2      PHE  44  -2.184   3.188  -0.120
  381    HE1  PHE  44           HE1      PHE  44  -3.524   1.663   4.362
  382    HE2  PHE  44           HE2      PHE  44  -1.060   4.098   1.874
  383    HZ   PHE  44           HZ       PHE  44  -1.731   3.337   4.121
  384    H    PHE  45           H        PHE  45  -5.065   2.485  -2.987
  385    HA   PHE  45           HA       PHE  45  -4.191   5.183  -2.528
  386    HB2  PHE  45           1HB      PHE  45  -4.363   3.431  -4.950
  387    HB3  PHE  45           2HB      PHE  45  -4.064   5.158  -5.126
  388    HD1  PHE  45           HD1      PHE  45  -2.729   2.002  -3.782
  389    HD2  PHE  45           HD2      PHE  45  -1.965   6.116  -4.544
  390    HE1  PHE  45           HE1      PHE  45  -0.339   1.635  -3.347
  391    HE2  PHE  45           HE2      PHE  45   0.432   5.756  -4.114
  392    HZ   PHE  45           HZ       PHE  45   1.248   3.511  -3.514
  393    H    GLU  46           H        GLU  46  -6.930   3.775  -4.398
  394    HA   GLU  46           HA       GLU  46  -7.785   6.388  -5.193
  395    HB2  GLU  46           1HB      GLU  46  -9.142   3.712  -5.442
  396    HB3  GLU  46           2HB      GLU  46  -9.787   5.204  -6.109
  397    HG2  GLU  46           1HG      GLU  46  -7.458   5.357  -7.268
  398    HG3  GLU  46           2HG      GLU  46  -7.409   3.624  -6.944
  399    H    GLU  47           H        GLU  47  -8.703   4.204  -2.609
  400    HA   GLU  47           HA       GLU  47 -10.673   6.210  -1.732
  401    HB2  GLU  47           1HB      GLU  47 -11.286   3.695  -2.132
  402    HB3  GLU  47           2HB      GLU  47 -10.503   3.447  -0.577
  403    HG2  GLU  47           1HG      GLU  47 -12.050   4.959   0.488
  404    HG3  GLU  47           2HG      GLU  47 -12.792   5.338  -1.066
  405    H    PHE  48           H        PHE  48  -7.968   6.585  -1.519
  406    HA   PHE  48           HA       PHE  48  -6.487   5.742   0.583
  407    HB2  PHE  48           1HB      PHE  48  -5.973   7.400  -1.324
  408    HB3  PHE  48           2HB      PHE  48  -6.532   8.646  -0.228
  409    HD1  PHE  48           HD1      PHE  48  -4.304   5.660   0.071
  410    HD2  PHE  48           HD2      PHE  48  -4.823   9.842   0.678
  411    HE1  PHE  48           HE1      PHE  48  -2.027   5.810   0.986
  412    HE2  PHE  48           HE2      PHE  48  -2.549   9.993   1.604
  413    HZ   PHE  48           HZ       PHE  48  -1.150   7.976   1.754
  414    H    GLU  49           H        GLU  49  -8.137   8.883   0.774
  415    HA   GLU  49           HA       GLU  49  -9.626   8.770   2.996
  416    HB2  GLU  49           1HB      GLU  49  -8.198   9.510   4.878
  417    HB3  GLU  49           2HB      GLU  49  -7.776   7.897   4.327
  418    HG2  GLU  49           1HG      GLU  49  -5.879   8.870   3.067
  419    HG3  GLU  49           2HG      GLU  49  -6.285  10.448   3.741
  420    H    GLN  50           H        GLN  50  -7.120  10.462   1.312
  421    HA   GLN  50           HA       GLN  50  -8.217  13.076   2.005
  422    HB2  GLN  50           1HB      GLN  50  -5.771  12.316   0.390
  423    HB3  GLN  50           2HB      GLN  50  -6.209  13.949   0.877
  424    HG2  GLN  50           1HG      GLN  50  -5.836  13.461   3.165
  425    HG3  GLN  50           2HG      GLN  50  -5.698  11.735   2.843
  426   HE21  GLN  50          1HE2      GLN  50  -4.224  14.156   0.801
  427   HE22  GLN  50          2HE2      GLN  50  -2.591  13.789   1.232
  428    H    ARG  51           H        ARG  51  -9.170  10.839   0.050
  429    HA   ARG  51           HA       ARG  51  -9.834  12.650  -2.162
  430    HB2  ARG  51           1HB      ARG  51  -9.191   9.720  -2.509
  431    HB3  ARG  51           2HB      ARG  51  -9.478  10.904  -3.778
  432    HG2  ARG  51           1HG      ARG  51  -7.412  12.029  -3.235
  433    HG3  ARG  51           2HG      ARG  51  -7.148  10.934  -1.876
  434    HD2  ARG  51           1HD      ARG  51  -7.160   9.047  -3.513
  435    HD3  ARG  51           2HD      ARG  51  -7.184  10.247  -4.804
  436    HE   ARG  51           HE       ARG  51  -5.039  10.707  -2.980
  437   HH11  ARG  51          1HH1      ARG  51  -6.066   8.837  -5.748
  438   HH12  ARG  51          2HH1      ARG  51  -4.454   8.377  -6.210
  439   HH21  ARG  51          1HH2      ARG  51  -2.892  10.145  -3.598
  440   HH22  ARG  51          2HH2      ARG  51  -2.645   9.131  -4.993
  441    H    LYS  52           H        LYS  52 -11.962  12.639  -2.634
  442    HA   LYS  52           HA       LYS  52 -13.685  10.426  -2.193
  443    HB2  LYS  52           1HB      LYS  52 -15.069  11.513  -0.398
  444    HB3  LYS  52           2HB      LYS  52 -13.486  10.966   0.138
  445    HG2  LYS  52           1HG      LYS  52 -12.639  13.166   0.216
  446    HG3  LYS  52           2HG      LYS  52 -14.006  13.808  -0.694
  447    HD2  LYS  52           1HD      LYS  52 -14.051  12.707   2.114
  448    HD3  LYS  52           2HD      LYS  52 -14.257  14.392   1.634
  449    HE2  LYS  52           1HE      LYS  52 -16.111  12.081   1.103
  450    HE3  LYS  52           2HE      LYS  52 -16.424  13.507   2.089
  451    HZ1  LYS  52           3HZ      LYS  52 -16.049  13.471  -0.863
  452    HZ2  LYS  52           1HZ      LYS  52 -16.315  14.863   0.074
  453    HZ3  LYS  52           2HZ      LYS  52 -17.522  13.678  -0.043
  Start of MODEL   23
    1    H1   MET   1           1H       MET   1 -12.583  -9.443   1.947
    2    H2   MET   1           2H       MET   1 -12.433  -7.868   2.553
    3    H3   MET   1           3H       MET   1 -13.774  -8.812   2.978
    4    HA   MET   1           HA       MET   1 -12.162  -8.672   4.776
    5    HB2  MET   1           1HB      MET   1 -13.582 -10.668   4.591
    6    HB3  MET   1           2HB      MET   1 -12.416 -11.411   3.502
    7    HG2  MET   1           1HG      MET   1 -12.209 -12.332   5.727
    8    HG3  MET   1           2HG      MET   1 -10.754 -11.438   5.291
    9    HE1  MET   1           3HE      MET   1 -11.207 -12.264   8.234
   10    HE2  MET   1           1HE      MET   1 -10.880 -10.769   9.109
   11    HE3  MET   1           2HE      MET   1  -9.867 -11.230   7.739
   12    H    LYS   2           H        LYS   2 -10.853 -10.696   2.136
   13    HA   LYS   2           HA       LYS   2  -8.172 -10.316   3.201
   14    HB2  LYS   2           1HB      LYS   2  -9.125 -11.918   0.819
   15    HB3  LYS   2           2HB      LYS   2  -7.509 -11.963   1.509
   16    HG2  LYS   2           1HG      LYS   2  -8.385 -12.902   3.567
   17    HG3  LYS   2           2HG      LYS   2 -10.030 -12.795   2.934
   18    HD2  LYS   2           1HD      LYS   2  -7.802 -14.441   1.740
   19    HD3  LYS   2           2HD      LYS   2  -9.101 -15.068   2.754
   20    HE2  LYS   2           1HE      LYS   2 -10.747 -14.351   1.100
   21    HE3  LYS   2           2HE      LYS   2  -9.458 -13.691   0.096
   22    HZ1  LYS   2           3HZ      LYS   2  -8.560 -15.889  -0.190
   23    HZ2  LYS   2           1HZ      LYS   2 -10.193 -15.887  -0.645
   24    HZ3  LYS   2           2HZ      LYS   2  -9.730 -16.552   0.843
   25    H    GLN   3           H        GLN   3  -7.072  -8.555   2.617
   26    HA   GLN   3           HA       GLN   3  -7.287  -7.698  -0.202
   27    HB2  GLN   3           1HB      GLN   3  -7.141  -5.869   2.204
   28    HB3  GLN   3           2HB      GLN   3  -7.034  -5.343   0.533
   29    HG2  GLN   3           1HG      GLN   3  -9.320  -6.267   0.171
   30    HG3  GLN   3           2HG      GLN   3  -9.409  -6.572   1.906
   31   HE21  GLN   3          1HE2      GLN   3  -9.405  -4.165  -0.595
   32   HE22  GLN   3          2HE2      GLN   3  -9.872  -2.833   0.406
   33    H    TRP   4           H        TRP   4  -5.417  -7.054   2.740
   34    HA   TRP   4           HA       TRP   4  -2.940  -7.279   1.161
   35    HB2  TRP   4           1HB      TRP   4  -2.879  -6.454   4.025
   36    HB3  TRP   4           2HB      TRP   4  -1.880  -5.908   2.695
   37    HD1  TRP   4           HD1      TRP   4  -5.693  -5.487   3.332
   38    HE1  TRP   4           HE1      TRP   4  -6.249  -2.972   3.168
   39    HE3  TRP   4           HE3      TRP   4  -1.008  -3.716   2.485
   40    HZ2  TRP   4           HZ2      TRP   4  -4.853  -0.562   2.742
   41    HZ3  TRP   4           HZ3      TRP   4  -0.690  -1.296   2.229
   42    HH2  TRP   4           HH2      TRP   4  -2.568   0.246   2.354
   43    H    SER   5           H        SER   5  -1.111  -8.168   2.735
   44    HA   SER   5           HA       SER   5  -2.105 -10.350   4.367
   45    HB2  SER   5           1HB      SER   5  -0.007 -10.790   3.247
   46    HB3  SER   5           2HB      SER   5   0.683  -9.280   3.839
   47    HG   SER   5           HG       SER   5   0.036 -11.618   5.317
   48    H    GLU   6           H        GLU   6  -2.497 -10.096   6.512
   49    HA   GLU   6           HA       GLU   6  -3.053  -7.787   7.758
   50    HB2  GLU   6           1HB      GLU   6  -3.498  -9.983   8.731
   51    HB3  GLU   6           2HB      GLU   6  -1.791 -10.178   9.103
   52    HG2  GLU   6           1HG      GLU   6  -1.935  -8.196  10.580
   53    HG3  GLU   6           2HG      GLU   6  -3.670  -8.145  10.275
   54    H    ASN   7           H        ASN   7   0.211  -9.228   7.821
   55    HA   ASN   7           HA       ASN   7   1.348  -7.245   9.513
   56    HB2  ASN   7           1HB      ASN   7   2.627  -9.158   7.561
   57    HB3  ASN   7           2HB      ASN   7   3.536  -8.129   8.661
   58   HD21  ASN   7          1HD2      ASN   7   3.372 -11.038   8.420
   59   HD22  ASN   7          2HD2      ASN   7   2.924 -11.610   9.993
   60    H    VAL   8           H        VAL   8   0.719  -7.392   6.134
   61    HA   VAL   8           HA       VAL   8   2.659  -5.426   5.360
   62    HB   VAL   8           HB       VAL   8   0.266  -6.482   3.850
   63   HG11  VAL   8          1HG1      VAL   8   2.673  -4.969   2.850
   64   HG12  VAL   8          2HG1      VAL   8   1.045  -4.316   3.031
   65   HG13  VAL   8          3HG1      VAL   8   1.353  -5.604   1.870
   66   HG21  VAL   8          3HG2      VAL   8   1.943  -7.856   2.658
   67   HG22  VAL   8          1HG2      VAL   8   1.807  -8.264   4.368
   68   HG23  VAL   8          2HG2      VAL   8   3.170  -7.301   3.796
   69    H    GLU   9           H        GLU   9  -0.741  -5.464   6.202
   70    HA   GLU   9           HA       GLU   9  -1.606  -2.999   5.319
   71    HB2  GLU   9           1HB      GLU   9  -2.237  -4.294   7.979
   72    HB3  GLU   9           2HB      GLU   9  -3.227  -3.095   7.154
   73    HG2  GLU   9           1HG      GLU   9  -3.564  -4.693   5.307
   74    HG3  GLU   9           2HG      GLU   9  -2.634  -5.891   6.205
   75    H    GLU  10           H        GLU  10   0.081  -3.824   8.284
   76    HA   GLU  10           HA       GLU  10   0.290  -1.215   9.328
   77    HB2  GLU  10           1HB      GLU  10   0.597  -2.819  10.939
   78    HB3  GLU  10           2HB      GLU  10   1.500  -3.885   9.871
   79    HG2  GLU  10           1HG      GLU  10   3.471  -2.540  10.110
   80    HG3  GLU  10           2HG      GLU  10   2.582  -1.328  11.038
   81    H    LYS  11           H        LYS  11   2.509  -3.197   7.390
   82    HA   LYS  11           HA       LYS  11   4.662  -1.357   7.719
   83    HB2  LYS  11           1HB      LYS  11   4.993  -3.778   7.480
   84    HB3  LYS  11           2HB      LYS  11   4.419  -3.690   5.823
   85    HG2  LYS  11           1HG      LYS  11   6.300  -2.465   5.118
   86    HG3  LYS  11           2HG      LYS  11   6.785  -2.109   6.774
   87    HD2  LYS  11           1HD      LYS  11   6.731  -4.885   5.591
   88    HD3  LYS  11           2HD      LYS  11   8.168  -3.865   5.649
   89    HE2  LYS  11           1HE      LYS  11   7.833  -3.731   8.144
   90    HE3  LYS  11           2HE      LYS  11   6.602  -4.980   7.968
   91    HZ1  LYS  11           3HZ      LYS  11   8.280  -6.448   7.022
   92    HZ2  LYS  11           1HZ      LYS  11   8.721  -5.934   8.578
   93    HZ3  LYS  11           2HZ      LYS  11   9.463  -5.246   7.217
   94    H    LEU  12           H        LEU  12   2.344  -1.973   5.085
   95    HA   LEU  12           HA       LEU  12   3.722  -0.252   3.260
   96    HB2  LEU  12           1HB      LEU  12   2.146  -2.009   2.504
   97    HB3  LEU  12           2HB      LEU  12   0.821  -1.074   3.163
   98    HG   LEU  12           HG       LEU  12   1.292   0.739   1.587
   99   HD11  LEU  12          1HD1      LEU  12   3.693   0.470   1.385
  100   HD12  LEU  12          2HD1      LEU  12   2.939   0.407  -0.209
  101   HD13  LEU  12          3HD1      LEU  12   3.474  -1.081   0.576
  102   HD21  LEU  12          3HD2      LEU  12   1.127  -1.927   0.193
  103   HD22  LEU  12          1HD2      LEU  12   0.607  -0.370  -0.449
  104   HD23  LEU  12          2HD2      LEU  12  -0.232  -1.080   0.929
  105    H    LYS  13           H        LYS  13   1.180   0.192   5.641
  106    HA   LYS  13           HA       LYS  13   0.372   2.780   5.153
  107    HB2  LYS  13           1HB      LYS  13  -0.505   1.500   7.030
  108    HB3  LYS  13           2HB      LYS  13   1.074   1.491   7.800
  109    HG2  LYS  13           1HG      LYS  13   0.840   4.068   7.764
  110    HG3  LYS  13           2HG      LYS  13  -0.872   3.738   7.509
  111    HD2  LYS  13           1HD      LYS  13  -0.573   4.009   9.846
  112    HD3  LYS  13           2HD      LYS  13  -0.802   2.285   9.558
  113    HE2  LYS  13           1HE      LYS  13   1.602   1.922   9.722
  114    HE3  LYS  13           2HE      LYS  13   1.876   3.650   9.947
  115    HZ1  LYS  13           3HZ      LYS  13   0.466   3.478  11.977
  116    HZ2  LYS  13           1HZ      LYS  13   1.924   2.613  12.067
  117    HZ3  LYS  13           2HZ      LYS  13   0.469   1.791  11.788
  118    H    GLU  14           H        GLU  14   3.251   1.651   6.826
  119    HA   GLU  14           HA       GLU  14   4.265   4.264   7.360
  120    HB2  GLU  14           1HB      GLU  14   5.619   1.568   7.490
  121    HB3  GLU  14           2HB      GLU  14   6.211   3.061   8.217
  122    HG2  GLU  14           1HG      GLU  14   4.214   3.168   9.620
  123    HG3  GLU  14           2HG      GLU  14   3.638   1.662   8.909
  124    H    PHE  15           H        PHE  15   4.666   1.942   4.787
  125    HA   PHE  15           HA       PHE  15   7.042   3.080   3.707
  126    HB2  PHE  15           1HB      PHE  15   5.945   0.745   3.300
  127    HB3  PHE  15           2HB      PHE  15   5.040   1.583   2.055
  128    HD1  PHE  15           HD1      PHE  15   8.586   1.746   3.180
  129    HD2  PHE  15           HD2      PHE  15   5.915   1.029  -0.066
  130    HE1  PHE  15           HE1      PHE  15  10.494   1.471   1.658
  131    HE2  PHE  15           HE2      PHE  15   7.820   0.760  -1.577
  132    HZ   PHE  15           HZ       PHE  15  10.115   0.979  -0.719
  133    H    VAL  16           H        VAL  16   3.661   3.770   3.438
  134    HA   VAL  16           HA       VAL  16   4.080   5.665   1.267
  135    HB   VAL  16           HB       VAL  16   1.570   5.060   2.847
  136   HG11  VAL  16          1HG1      VAL  16   0.388   6.267   1.093
  137   HG12  VAL  16          2HG1      VAL  16   1.916   6.624   0.288
  138   HG13  VAL  16          3HG1      VAL  16   1.570   7.318   1.873
  139   HG21  VAL  16          3HG2      VAL  16   2.381   3.157   1.515
  140   HG22  VAL  16          1HG2      VAL  16   2.378   4.178   0.078
  141   HG23  VAL  16          2HG2      VAL  16   0.862   3.799   0.893
  142    H    LYS  17           H        LYS  17   3.116   5.764   4.704
  143    HA   LYS  17           HA       LYS  17   2.842   8.614   4.678
  144    HB2  LYS  17           1HB      LYS  17   2.859   6.638   6.954
  145    HB3  LYS  17           2HB      LYS  17   2.543   8.355   7.146
  146    HG2  LYS  17           1HG      LYS  17   0.899   6.446   5.502
  147    HG3  LYS  17           2HG      LYS  17   0.491   7.041   7.111
  148    HD2  LYS  17           1HD      LYS  17   0.590   9.370   6.139
  149    HD3  LYS  17           2HD      LYS  17   0.680   8.609   4.548
  150    HE2  LYS  17           1HE      LYS  17  -1.609   9.170   4.983
  151    HE3  LYS  17           2HE      LYS  17  -1.442   7.418   5.067
  152    HZ1  LYS  17           3HZ      LYS  17  -2.786   8.157   6.887
  153    HZ2  LYS  17           1HZ      LYS  17  -1.618   9.296   7.364
  154    HZ3  LYS  17           2HZ      LYS  17  -1.298   7.641   7.513
  155    H    ARG  18           H        ARG  18   5.099   6.502   6.495
  156    HA   ARG  18           HA       ARG  18   6.637   8.893   7.119
  157    HB2  ARG  18           1HB      ARG  18   7.775   7.477   8.790
  158    HB3  ARG  18           2HB      ARG  18   6.033   7.531   9.011
  159    HG2  ARG  18           1HG      ARG  18   5.909   5.347   7.792
  160    HG3  ARG  18           2HG      ARG  18   7.668   5.296   7.864
  161    HD2  ARG  18           1HD      ARG  18   5.746   5.352  10.195
  162    HD3  ARG  18           2HD      ARG  18   6.764   4.001   9.697
  163    HE   ARG  18           HE       ARG  18   8.092   6.492  10.469
  164   HH11  ARG  18          1HH1      ARG  18   7.225   3.200  11.303
  165   HH12  ARG  18          2HH1      ARG  18   8.389   3.098  12.593
  166   HH21  ARG  18          1HH2      ARG  18   9.630   6.345  12.146
  167   HH22  ARG  18          2HH2      ARG  18   9.755   4.873  13.073
  168    H    HIS  19           H        HIS  19   6.644   7.528   4.490
  169    HA   HIS  19           HA       HIS  19   9.564   7.408   4.258
  170    HB2  HIS  19           1HB      HIS  19   7.536   5.553   3.074
  171    HB3  HIS  19           2HB      HIS  19   9.002   5.903   2.168
  172    HD1  HIS  19           HD1      HIS  19   7.872   4.292   5.404
  173    HD2  HIS  19           HD2      HIS  19  11.245   4.625   3.002
  174    HE1  HIS  19           HE1      HIS  19   9.562   2.644   6.318
  175    H    GLN  20           H        GLN  20   9.584   7.265   1.424
  176    HA   GLN  20           HA       GLN  20   9.207  10.067   0.897
  177    HB2  GLN  20           1HB      GLN  20  10.332   9.565  -1.243
  178    HB3  GLN  20           2HB      GLN  20  11.240   9.000   0.152
  179    HG2  GLN  20           1HG      GLN  20  10.615   6.747  -0.242
  180    HG3  GLN  20           2HG      GLN  20   9.422   7.231  -1.446
  181   HE21  GLN  20          1HE2      GLN  20  10.407   5.843  -2.965
  182   HE22  GLN  20          2HE2      GLN  20  11.877   6.291  -3.758
  183    H    ARG  21           H        ARG  21   6.851   8.122   1.059
  184    HA   ARG  21           HA       ARG  21   4.767   8.010   0.166
  185    HB2  ARG  21           1HB      ARG  21   5.835   9.973  -1.865
  186    HB3  ARG  21           2HB      ARG  21   4.170   9.422  -1.813
  187    HG2  ARG  21           1HG      ARG  21   3.883  10.426   0.382
  188    HG3  ARG  21           2HG      ARG  21   5.574  10.946   0.373
  189    HD2  ARG  21           1HD      ARG  21   5.177  12.329  -1.564
  190    HD3  ARG  21           2HD      ARG  21   3.521  11.742  -1.682
  191    HE   ARG  21           HE       ARG  21   4.025  12.975   0.845
  192   HH11  ARG  21          1HH1      ARG  21   3.391  13.637  -2.532
  193   HH12  ARG  21          2HH1      ARG  21   2.619  15.164  -2.223
  194   HH21  ARG  21          1HH2      ARG  21   3.029  15.027   1.249
  195   HH22  ARG  21          2HH2      ARG  21   2.432  15.950  -0.098
  196    H    ILE  22           H        ILE  22   7.456   7.753  -2.052
  197    HA   ILE  22           HA       ILE  22   8.090   6.238  -3.562
  198    HB   ILE  22           HB       ILE  22   7.706   4.007  -3.274
  199   HG12  ILE  22          1HG1      ILE  22   4.965   4.932  -2.866
  200   HG13  ILE  22          2HG1      ILE  22   5.520   3.495  -3.706
  201   HG21  ILE  22          1HG2      ILE  22   6.888   5.222  -0.636
  202   HG22  ILE  22          2HG2      ILE  22   8.544   4.992  -1.203
  203   HG23  ILE  22          3HG2      ILE  22   7.522   3.593  -0.871
  204   HD11  ILE  22          3HD1      ILE  22   5.811   2.359  -1.555
  205   HD12  ILE  22          1HD1      ILE  22   4.151   2.904  -1.795
  206   HD13  ILE  22          2HD1      ILE  22   5.226   3.799  -0.721
  207    H    THR  23           H        THR  23   7.425   4.889  -5.475
  208    HA   THR  23           HA       THR  23   5.114   6.173  -6.758
  209    HB   THR  23           HB       THR  23   6.202   5.512  -8.906
  210    HG1  THR  23           HG1      THR  23   8.474   4.927  -8.726
  211   HG21  THR  23          3HG2      THR  23   7.879   7.231  -7.075
  212   HG22  THR  23          1HG2      THR  23   6.504   7.769  -8.038
  213   HG23  THR  23          2HG2      THR  23   7.976   7.214  -8.836
  214    H    GLN  24           H        GLN  24   4.034   4.757  -8.441
  215    HA   GLN  24           HA       GLN  24   3.039   2.400  -7.262
  216    HB2  GLN  24           1HB      GLN  24   2.132   3.937  -9.198
  217    HB3  GLN  24           2HB      GLN  24   2.998   2.813 -10.232
  218    HG2  GLN  24           1HG      GLN  24   0.958   1.925  -8.218
  219    HG3  GLN  24           2HG      GLN  24   0.533   2.378  -9.868
  220   HE21  GLN  24          1HE2      GLN  24   1.407   1.112 -11.590
  221   HE22  GLN  24          2HE2      GLN  24   1.799  -0.554 -11.327
  222    H    GLU  25           H        GLU  25   5.489   2.972  -9.711
  223    HA   GLU  25           HA       GLU  25   6.229   0.433 -10.465
  224    HB2  GLU  25           1HB      GLU  25   7.164   2.505 -11.383
  225    HB3  GLU  25           2HB      GLU  25   7.997   2.810  -9.867
  226    HG2  GLU  25           1HG      GLU  25   9.288   0.719 -10.229
  227    HG3  GLU  25           2HG      GLU  25   8.529   0.584 -11.817
  228    H    GLU  26           H        GLU  26   7.599   2.303  -7.771
  229    HA   GLU  26           HA       GLU  26   9.211   0.185  -6.799
  230    HB2  GLU  26           1HB      GLU  26   9.800   2.495  -6.379
  231    HB3  GLU  26           2HB      GLU  26   8.293   2.763  -5.516
  232    HG2  GLU  26           1HG      GLU  26   8.987   1.437  -3.697
  233    HG3  GLU  26           2HG      GLU  26  10.351   0.781  -4.602
  234    H    LEU  27           H        LEU  27   5.981   1.320  -6.066
  235    HA   LEU  27           HA       LEU  27   5.696  -0.121  -3.645
  236    HB2  LEU  27           1HB      LEU  27   4.342   1.886  -4.413
  237    HB3  LEU  27           2HB      LEU  27   3.453   0.788  -5.453
  238    HG   LEU  27           HG       LEU  27   3.618   0.258  -2.493
  239   HD11  LEU  27          1HD1      LEU  27   1.519   1.507  -2.221
  240   HD12  LEU  27          2HD1      LEU  27   1.667   2.091  -3.878
  241   HD13  LEU  27          3HD1      LEU  27   2.866   2.553  -2.672
  242   HD21  LEU  27          3HD2      LEU  27   1.491  -0.320  -4.551
  243   HD22  LEU  27          1HD2      LEU  27   1.515  -0.876  -2.880
  244   HD23  LEU  27          2HD2      LEU  27   2.721  -1.466  -4.024
  245    H    HIS  28           H        HIS  28   4.745  -0.838  -7.003
  246    HA   HIS  28           HA       HIS  28   3.261  -3.145  -6.370
  247    HB2  HIS  28           1HB      HIS  28   3.477  -1.776  -8.620
  248    HB3  HIS  28           2HB      HIS  28   4.696  -2.996  -8.981
  249    HD1  HIS  28           HD1      HIS  28   3.572  -5.604  -8.297
  250    HD2  HIS  28           HD2      HIS  28   1.111  -2.517  -9.604
  251    HE1  HIS  28           HE1      HIS  28   1.424  -6.687  -9.069
  252    H    GLN  29           H        GLN  29   6.679  -2.686  -7.091
  253    HA   GLN  29           HA       GLN  29   7.383  -5.427  -7.128
  254    HB2  GLN  29           1HB      GLN  29   8.897  -3.781  -8.028
  255    HB3  GLN  29           2HB      GLN  29   8.993  -2.953  -6.482
  256    HG2  GLN  29           1HG      GLN  29  10.995  -4.262  -6.954
  257    HG3  GLN  29           2HG      GLN  29  10.163  -4.829  -5.507
  258   HE21  GLN  29          1HE2      GLN  29   9.047  -5.534  -8.749
  259   HE22  GLN  29          2HE2      GLN  29   9.409  -7.230  -8.702
  260    H    TYR  30           H        TYR  30   7.306  -2.992  -4.584
  261    HA   TYR  30           HA       TYR  30   8.248  -4.603  -2.475
  262    HB2  TYR  30           1HB      TYR  30   8.009  -2.060  -2.575
  263    HB3  TYR  30           2HB      TYR  30   6.305  -2.306  -2.223
  264    HD1  TYR  30           HD1      TYR  30   9.638  -3.337  -0.872
  265    HD2  TYR  30           HD2      TYR  30   5.653  -2.116  -0.019
  266    HE1  TYR  30           HE1      TYR  30  10.163  -3.322   1.528
  267    HE2  TYR  30           HE2      TYR  30   6.170  -2.103   2.387
  268    HH   TYR  30           HH       TYR  30   7.783  -3.151   3.923
  269    H    ALA  31           H        ALA  31   5.105  -4.117  -3.907
  270    HA   ALA  31           HA       ALA  31   3.518  -5.354  -1.941
  271    HB1  ALA  31           3HB      ALA  31   1.833  -5.548  -3.740
  272    HB2  ALA  31           1HB      ALA  31   3.058  -5.058  -4.909
  273    HB3  ALA  31           2HB      ALA  31   2.547  -3.939  -3.647
  274    H    GLN  32           H        GLN  32   5.098  -6.621  -4.843
  275    HA   GLN  32           HA       GLN  32   3.999  -9.238  -4.603
  276    HB2  GLN  32           1HB      GLN  32   6.415  -8.222  -6.101
  277    HB3  GLN  32           2HB      GLN  32   5.781  -9.855  -6.241
  278    HG2  GLN  32           1HG      GLN  32   3.695  -8.997  -7.123
  279    HG3  GLN  32           2HG      GLN  32   4.265  -7.342  -6.921
  280   HE21  GLN  32          1HE2      GLN  32   6.345  -9.936  -8.003
  281   HE22  GLN  32          2HE2      GLN  32   6.515  -9.372  -9.632
  282    H    ARG  33           H        ARG  33   6.760  -7.628  -3.279
  283    HA   ARG  33           HA       ARG  33   8.174  -9.930  -2.417
  284    HB2  ARG  33           1HB      ARG  33   9.249  -7.744  -2.657
  285    HB3  ARG  33           2HB      ARG  33   8.222  -7.081  -1.397
  286    HG2  ARG  33           1HG      ARG  33  10.354  -7.479  -0.447
  287    HG3  ARG  33           2HG      ARG  33   9.260  -8.706   0.194
  288    HD2  ARG  33           1HD      ARG  33  11.502  -9.573  -0.469
  289    HD3  ARG  33           2HD      ARG  33  10.154 -10.369  -1.275
  290    HE   ARG  33           HE       ARG  33  10.700  -9.168  -3.282
  291   HH11  ARG  33          1HH1      ARG  33  13.036  -8.880  -0.694
  292   HH12  ARG  33          2HH1      ARG  33  14.331  -8.365  -1.733
  293   HH21  ARG  33          1HH2      ARG  33  12.425  -8.570  -4.674
  294   HH22  ARG  33          2HH2      ARG  33  13.991  -8.237  -4.004
  295    H    LEU  34           H        LEU  34   5.623  -7.969  -1.028
  296    HA   LEU  34           HA       LEU  34   5.863  -9.317   1.537
  297    HB2  LEU  34           1HB      LEU  34   4.038  -7.101   0.614
  298    HB3  LEU  34           2HB      LEU  34   4.086  -7.745   2.244
  299    HG   LEU  34           HG       LEU  34   6.320  -6.286   0.833
  300   HD11  LEU  34          1HD1      LEU  34   4.640  -5.517   3.213
  301   HD12  LEU  34          2HD1      LEU  34   4.495  -4.845   1.589
  302   HD13  LEU  34          3HD1      LEU  34   5.966  -4.580   2.527
  303   HD21  LEU  34          3HD2      LEU  34   7.511  -6.451   2.972
  304   HD22  LEU  34          1HD2      LEU  34   7.223  -8.036   2.252
  305   HD23  LEU  34          2HD2      LEU  34   6.226  -7.484   3.598
  306    H    GLY  35           H        GLY  35   3.679  -9.203  -1.221
  307    HA2  GLY  35           1HA      GLY  35   2.460 -11.325  -1.611
  308    HA3  GLY  35           2HA      GLY  35   2.071 -11.305   0.104
  309    H    LEU  36           H        LEU  36   1.991  -8.648  -2.227
  310    HA   LEU  36           HA       LEU  36  -0.784  -8.177  -1.415
  311    HB2  LEU  36           1HB      LEU  36   1.242  -6.320  -2.638
  312    HB3  LEU  36           2HB      LEU  36  -0.429  -5.894  -2.328
  313    HG   LEU  36           HG       LEU  36   1.623  -6.628  -0.244
  314   HD11  LEU  36          1HD1      LEU  36   1.930  -4.406  -1.233
  315   HD12  LEU  36          2HD1      LEU  36   1.398  -4.306   0.445
  316   HD13  LEU  36          3HD1      LEU  36   0.252  -4.015  -0.864
  317   HD21  LEU  36          3HD2      LEU  36  -1.263  -5.798   0.065
  318   HD22  LEU  36          1HD2      LEU  36  -0.112  -6.078   1.372
  319   HD23  LEU  36          2HD2      LEU  36  -0.620  -7.417   0.342
  320    H    ASN  37           H        ASN  37  -1.898  -6.783  -3.127
  321    HA   ASN  37           HA       ASN  37  -1.553  -7.586  -5.864
  322    HB2  ASN  37           1HB      ASN  37  -3.709  -8.632  -6.155
  323    HB3  ASN  37           2HB      ASN  37  -2.867  -9.487  -4.873
  324   HD21  ASN  37          1HD2      ASN  37  -3.502  -7.194  -2.980
  325   HD22  ASN  37          2HD2      ASN  37  -5.144  -7.495  -2.529
  326    H    GLU  38           H        GLU  38  -3.295  -6.418  -7.223
  327    HA   GLU  38           HA       GLU  38  -3.080  -3.712  -6.563
  328    HB2  GLU  38           1HB      GLU  38  -4.808  -5.117  -8.582
  329    HB3  GLU  38           2HB      GLU  38  -4.772  -3.366  -8.427
  330    HG2  GLU  38           1HG      GLU  38  -2.282  -3.499  -8.763
  331    HG3  GLU  38           2HG      GLU  38  -2.514  -5.194  -9.190
  332    H    GLU  39           H        GLU  39  -5.449  -5.979  -5.571
  333    HA   GLU  39           HA       GLU  39  -7.670  -4.394  -5.035
  334    HB2  GLU  39           1HB      GLU  39  -7.704  -6.800  -4.751
  335    HB3  GLU  39           2HB      GLU  39  -6.488  -6.702  -3.484
  336    HG2  GLU  39           1HG      GLU  39  -8.678  -7.104  -2.542
  337    HG3  GLU  39           2HG      GLU  39  -8.076  -5.521  -2.052
  338    H    ALA  40           H        ALA  40  -4.948  -5.167  -2.894
  339    HA   ALA  40           HA       ALA  40  -5.755  -3.253  -0.909
  340    HB1  ALA  40           3HB      ALA  40  -3.737  -3.910   0.266
  341    HB2  ALA  40           1HB      ALA  40  -3.155  -4.763  -1.162
  342    HB3  ALA  40           2HB      ALA  40  -4.589  -5.340  -0.315
  343    H    ILE  41           H        ILE  41  -3.428  -3.416  -3.516
  344    HA   ILE  41           HA       ILE  41  -1.798  -1.269  -2.782
  345    HB   ILE  41           HB       ILE  41  -2.415  -2.321  -5.537
  346   HG12  ILE  41          1HG1      ILE  41  -0.120  -2.917  -3.657
  347   HG13  ILE  41          2HG1      ILE  41  -1.473  -3.997  -3.998
  348   HG21  ILE  41          1HG2      ILE  41  -0.334  -1.259  -6.240
  349   HG22  ILE  41          2HG2      ILE  41  -0.141  -0.565  -4.629
  350   HG23  ILE  41          3HG2      ILE  41  -1.493  -0.071  -5.648
  351   HD11  ILE  41          3HD1      ILE  41   0.558  -3.049  -6.013
  352   HD12  ILE  41          1HD1      ILE  41  -0.768  -4.172  -6.313
  353   HD13  ILE  41          2HD1      ILE  41   0.542  -4.626  -5.223
  354    H    ARG  42           H        ARG  42  -4.521  -1.383  -5.069
  355    HA   ARG  42           HA       ARG  42  -4.320   1.395  -5.669
  356    HB2  ARG  42           1HB      ARG  42  -5.192  -0.510  -7.158
  357    HB3  ARG  42           2HB      ARG  42  -6.681  -0.286  -6.269
  358    HG2  ARG  42           1HG      ARG  42  -6.787   2.024  -6.963
  359    HG3  ARG  42           2HG      ARG  42  -5.296   1.817  -7.886
  360    HD2  ARG  42           1HD      ARG  42  -7.933   0.429  -8.340
  361    HD3  ARG  42           2HD      ARG  42  -7.180   1.645  -9.370
  362    HE   ARG  42           HE       ARG  42  -5.313  -0.288  -9.350
  363   HH11  ARG  42          1HH1      ARG  42  -8.786  -0.387  -9.872
  364   HH12  ARG  42          2HH1      ARG  42  -8.708  -1.739 -10.964
  365   HH21  ARG  42          1HH2      ARG  42  -5.227  -2.091 -10.787
  366   HH22  ARG  42          2HH2      ARG  42  -6.707  -2.689 -11.484
  367    H    GLN  43           H        GLN  43  -6.186  -0.553  -3.471
  368    HA   GLN  43           HA       GLN  43  -8.278   1.162  -2.848
  369    HB2  GLN  43           1HB      GLN  43  -8.087  -1.158  -2.022
  370    HB3  GLN  43           2HB      GLN  43  -6.776  -0.665  -0.960
  371    HG2  GLN  43           1HG      GLN  43  -8.580  -0.696   0.464
  372    HG3  GLN  43           2HG      GLN  43  -8.502   1.002   0.004
  373   HE21  GLN  43          1HE2      GLN  43  -9.612   0.331  -2.699
  374   HE22  GLN  43          2HE2      GLN  43 -11.307   0.097  -2.436
  375    H    PHE  44           H        PHE  44  -4.973   1.090  -1.630
  376    HA   PHE  44           HA       PHE  44  -5.327   2.968   0.453
  377    HB2  PHE  44           1HB      PHE  44  -3.384   1.262  -0.096
  378    HB3  PHE  44           2HB      PHE  44  -2.695   2.648  -0.932
  379    HD1  PHE  44           HD1      PHE  44  -3.927   1.457   2.331
  380    HD2  PHE  44           HD2      PHE  44  -1.585   4.354   0.281
  381    HE1  PHE  44           HE1      PHE  44  -3.038   2.238   4.480
  382    HE2  PHE  44           HE2      PHE  44  -0.692   5.150   2.433
  383    HZ   PHE  44           HZ       PHE  44  -1.418   4.094   4.537
  384    H    PHE  45           H        PHE  45  -4.820   3.312  -2.967
  385    HA   PHE  45           HA       PHE  45  -4.171   6.143  -2.715
  386    HB2  PHE  45           1HB      PHE  45  -4.477   4.387  -5.159
  387    HB3  PHE  45           2HB      PHE  45  -4.034   6.089  -5.201
  388    HD1  PHE  45           HD1      PHE  45  -2.025   6.510  -3.296
  389    HD2  PHE  45           HD2      PHE  45  -2.729   3.016  -5.625
  390    HE1  PHE  45           HE1      PHE  45   0.354   5.893  -3.085
  391    HE2  PHE  45           HE2      PHE  45  -0.360   2.398  -5.422
  392    HZ   PHE  45           HZ       PHE  45   1.183   3.839  -4.153
  393    H    GLU  46           H        GLU  46  -6.794   4.061  -3.827
  394    HA   GLU  46           HA       GLU  46  -8.328   6.144  -4.993
  395    HB2  GLU  46           1HB      GLU  46  -9.116   3.383  -4.069
  396    HB3  GLU  46           2HB      GLU  46 -10.183   4.467  -4.953
  397    HG2  GLU  46           1HG      GLU  46  -8.572   4.474  -6.818
  398    HG3  GLU  46           2HG      GLU  46  -7.579   3.320  -5.927
  399    H    GLU  47           H        GLU  47  -9.013   4.243  -2.055
  400    HA   GLU  47           HA       GLU  47 -11.212   5.865  -1.306
  401    HB2  GLU  47           1HB      GLU  47 -10.946   3.486  -0.674
  402    HB3  GLU  47           2HB      GLU  47  -9.617   3.930   0.385
  403    HG2  GLU  47           1HG      GLU  47 -11.141   5.298   1.721
  404    HG3  GLU  47           2HG      GLU  47 -12.472   4.837   0.662
  405    H    PHE  48           H        PHE  48  -7.891   6.301  -0.963
  406    HA   PHE  48           HA       PHE  48  -7.593   7.532   1.514
  407    HB2  PHE  48           1HB      PHE  48  -5.839   6.830  -0.237
  408    HB3  PHE  48           2HB      PHE  48  -6.119   8.409  -0.956
  409    HD1  PHE  48           HD1      PHE  48  -5.404  10.434   0.167
  410    HD2  PHE  48           HD2      PHE  48  -4.721   6.599   1.879
  411    HE1  PHE  48           HE1      PHE  48  -3.781  11.425   1.729
  412    HE2  PHE  48           HE2      PHE  48  -3.099   7.582   3.446
  413    HZ   PHE  48           HZ       PHE  48  -2.628  10.000   3.372
  414    H    GLU  49           H        GLU  49  -8.446   8.935  -1.630
  415    HA   GLU  49           HA       GLU  49  -8.679  11.577  -0.383
  416    HB2  GLU  49           1HB      GLU  49  -8.774  12.421  -2.696
  417    HB3  GLU  49           2HB      GLU  49  -7.327  11.469  -2.388
  418    HG2  GLU  49           1HG      GLU  49  -8.247   9.587  -3.539
  419    HG3  GLU  49           2HG      GLU  49  -9.800  10.403  -3.731
  420    H    GLN  50           H        GLN  50 -10.649   9.041  -0.795
  421    HA   GLN  50           HA       GLN  50 -12.979  10.512  -1.755
  422    HB2  GLN  50           1HB      GLN  50 -12.839   7.658  -0.774
  423    HB3  GLN  50           2HB      GLN  50 -14.138   8.401  -1.699
  424    HG2  GLN  50           1HG      GLN  50 -12.513   8.740  -3.563
  425    HG3  GLN  50           2HG      GLN  50 -11.343   7.792  -2.638
  426   HE21  GLN  50          1HE2      GLN  50 -14.786   7.200  -2.704
  427   HE22  GLN  50          2HE2      GLN  50 -14.707   5.683  -3.534
  428    H    ARG  51           H        ARG  51 -11.378  10.618   0.884
  429    HA   ARG  51           HA       ARG  51 -12.968  10.134   3.074
  430    HB2  ARG  51           1HB      ARG  51 -11.632  11.883   4.175
  431    HB3  ARG  51           2HB      ARG  51 -10.645  10.757   3.245
  432    HG2  ARG  51           1HG      ARG  51 -10.617  12.354   1.388
  433    HG3  ARG  51           2HG      ARG  51 -11.543  13.461   2.390
  434    HD2  ARG  51           1HD      ARG  51  -9.684  13.471   4.024
  435    HD3  ARG  51           2HD      ARG  51  -8.772  12.422   2.934
  436    HE   ARG  51           HE       ARG  51  -9.660  14.833   1.670
  437   HH11  ARG  51          1HH1      ARG  51  -7.157  13.444   3.688
  438   HH12  ARG  51          2HH1      ARG  51  -5.973  14.626   3.234
  439   HH21  ARG  51          1HH2      ARG  51  -8.110  16.370   1.067
  440   HH22  ARG  51          2HH2      ARG  51  -6.507  16.289   1.746
  441    H    LYS  52           H        LYS  52 -14.954  10.771   3.523
  442    HA   LYS  52           HA       LYS  52 -15.698  13.566   2.959
  443    HB2  LYS  52           1HB      LYS  52 -17.461  11.133   2.559
  444    HB3  LYS  52           2HB      LYS  52 -17.978  12.805   2.394
  445    HG2  LYS  52           1HG      LYS  52 -16.573  13.113   0.475
  446    HG3  LYS  52           2HG      LYS  52 -15.847  11.518   0.698
  447    HD2  LYS  52           1HD      LYS  52 -18.750  12.066   0.075
  448    HD3  LYS  52           2HD      LYS  52 -17.538  11.489  -1.071
  449    HE2  LYS  52           1HE      LYS  52 -17.291   9.435   0.101
  450    HE3  LYS  52           2HE      LYS  52 -18.242  10.025   1.462
  451    HZ1  LYS  52           3HZ      LYS  52 -19.573   8.564   0.154
  452    HZ2  LYS  52           1HZ      LYS  52 -19.237   9.425  -1.272
  453    HZ3  LYS  52           2HZ      LYS  52 -20.167  10.142  -0.046
  Start of MODEL   24
    1    H1   MET   1           1H       MET   1 -11.841 -10.740   5.645
    2    H2   MET   1           2H       MET   1 -12.795  -9.347   5.815
    3    H3   MET   1           3H       MET   1 -13.076 -10.691   6.805
    4    HA   MET   1           HA       MET   1 -11.928  -8.953   8.005
    5    HB2  MET   1           1HB      MET   1 -10.375 -11.479   7.434
    6    HB3  MET   1           2HB      MET   1  -9.890 -10.327   8.669
    7    HG2  MET   1           1HG      MET   1 -12.065 -10.649   9.776
    8    HG3  MET   1           2HG      MET   1 -12.470 -11.867   8.569
    9    HE1  MET   1           3HE      MET   1 -12.968 -13.449  10.776
   10    HE2  MET   1           1HE      MET   1 -12.389 -12.161  11.829
   11    HE3  MET   1           2HE      MET   1 -11.734 -13.793  11.987
   12    H    LYS   2           H        LYS   2  -9.512 -10.423   5.848
   13    HA   LYS   2           HA       LYS   2  -8.467  -7.719   5.354
   14    HB2  LYS   2           1HB      LYS   2  -6.167  -8.660   5.369
   15    HB3  LYS   2           2HB      LYS   2  -6.958  -8.749   6.936
   16    HG2  LYS   2           1HG      LYS   2  -7.083 -11.110   5.127
   17    HG3  LYS   2           2HG      LYS   2  -5.584 -10.766   5.994
   18    HD2  LYS   2           1HD      LYS   2  -6.802 -10.795   8.112
   19    HD3  LYS   2           2HD      LYS   2  -8.307 -11.112   7.247
   20    HE2  LYS   2           1HE      LYS   2  -7.373 -13.156   8.208
   21    HE3  LYS   2           2HE      LYS   2  -7.428 -13.228   6.451
   22    HZ1  LYS   2           3HZ      LYS   2  -5.344 -14.086   7.434
   23    HZ2  LYS   2           1HZ      LYS   2  -4.996 -12.529   8.008
   24    HZ3  LYS   2           2HZ      LYS   2  -5.093 -12.817   6.338
   25    H    GLN   3           H        GLN   3  -6.532  -8.238   3.592
   26    HA   GLN   3           HA       GLN   3  -7.359  -9.981   1.476
   27    HB2  GLN   3           1HB      GLN   3  -8.944  -7.985   1.297
   28    HB3  GLN   3           2HB      GLN   3  -7.532  -7.012   0.921
   29    HG2  GLN   3           1HG      GLN   3  -8.678  -7.660  -1.107
   30    HG3  GLN   3           2HG      GLN   3  -7.085  -8.411  -1.032
   31   HE21  GLN   3          1HE2      GLN   3  -7.633 -10.054  -2.436
   32   HE22  GLN   3          2HE2      GLN   3  -8.713 -11.331  -1.992
   33    H    TRP   4           H        TRP   4  -5.738  -6.870   1.975
   34    HA   TRP   4           HA       TRP   4  -3.267  -7.675   0.848
   35    HB2  TRP   4           1HB      TRP   4  -2.418  -5.717   2.340
   36    HB3  TRP   4           2HB      TRP   4  -3.509  -5.350   1.012
   37    HD1  TRP   4           HD1      TRP   4  -5.164  -6.743   4.117
   38    HE1  TRP   4           HE1      TRP   4  -6.467  -4.873   5.302
   39    HE3  TRP   4           HE3      TRP   4  -3.401  -2.736   1.511
   40    HZ2  TRP   4           HZ2      TRP   4  -6.740  -2.084   5.141
   41    HZ3  TRP   4           HZ3      TRP   4  -4.240  -0.497   2.080
   42    HH2  TRP   4           HH2      TRP   4  -5.871  -0.177   3.864
   43    H    SER   5           H        SER   5  -1.446  -8.550   1.896
   44    HA   SER   5           HA       SER   5  -1.827 -10.209   4.100
   45    HB2  SER   5           1HB      SER   5   0.789  -8.965   3.203
   46    HB3  SER   5           2HB      SER   5   0.598 -10.438   4.153
   47    HG   SER   5           HG       SER   5   0.957 -10.829   1.904
   48    H    GLU   6           H        GLU   6  -1.410  -9.959   6.298
   49    HA   GLU   6           HA       GLU   6  -2.401  -7.698   7.459
   50    HB2  GLU   6           1HB      GLU   6  -1.900 -10.038   8.454
   51    HB3  GLU   6           2HB      GLU   6  -0.361  -9.334   8.928
   52    HG2  GLU   6           1HG      GLU   6  -1.811  -9.148  10.783
   53    HG3  GLU   6           2HG      GLU   6  -1.649  -7.531  10.095
   54    H    ASN   7           H        ASN   7   1.062  -8.415   7.006
   55    HA   ASN   7           HA       ASN   7   1.846  -6.011   8.363
   56    HB2  ASN   7           1HB      ASN   7   3.489  -7.933   6.722
   57    HB3  ASN   7           2HB      ASN   7   4.152  -6.580   7.639
   58   HD21  ASN   7          1HD2      ASN   7   3.978  -6.622   9.930
   59   HD22  ASN   7          2HD2      ASN   7   3.815  -8.129  10.770
   60    H    VAL   8           H        VAL   8   0.677  -6.568   5.262
   61    HA   VAL   8           HA       VAL   8   2.311  -4.538   3.990
   62    HB   VAL   8           HB       VAL   8  -0.268  -5.680   2.926
   63   HG11  VAL   8          1HG1      VAL   8   0.706  -5.079   0.770
   64   HG12  VAL   8          2HG1      VAL   8   2.131  -4.449   1.592
   65   HG13  VAL   8          3HG1      VAL   8   0.559  -3.680   1.831
   66   HG21  VAL   8          3HG2      VAL   8   1.137  -7.571   3.411
   67   HG22  VAL   8          1HG2      VAL   8   2.519  -6.792   2.646
   68   HG23  VAL   8          2HG2      VAL   8   1.140  -7.287   1.671
   69    H    GLU   9           H        GLU   9  -1.062  -4.968   4.988
   70    HA   GLU   9           HA       GLU   9  -2.049  -2.413   4.752
   71    HB2  GLU   9           1HB      GLU   9  -3.379  -4.305   5.576
   72    HB3  GLU   9           2HB      GLU   9  -2.392  -4.385   7.032
   73    HG2  GLU   9           1HG      GLU   9  -3.194  -2.055   7.565
   74    HG3  GLU   9           2HG      GLU   9  -4.350  -2.249   6.245
   75    H    GLU  10           H        GLU  10  -0.239  -3.822   7.395
   76    HA   GLU  10           HA       GLU  10   0.033  -1.608   9.054
   77    HB2  GLU  10           1HB      GLU  10   0.424  -3.834   9.837
   78    HB3  GLU  10           2HB      GLU  10   1.696  -4.089   8.655
   79    HG2  GLU  10           1HG      GLU  10   3.031  -2.343   9.818
   80    HG3  GLU  10           2HG      GLU  10   1.784  -2.304  11.068
   81    H    LYS  11           H        LYS  11   2.628  -3.001   6.995
   82    HA   LYS  11           HA       LYS  11   4.273  -0.746   7.673
   83    HB2  LYS  11           1HB      LYS  11   5.226  -2.990   7.616
   84    HB3  LYS  11           2HB      LYS  11   4.874  -3.100   5.892
   85    HG2  LYS  11           1HG      LYS  11   6.370  -1.273   5.425
   86    HG3  LYS  11           2HG      LYS  11   6.660  -1.028   7.142
   87    HD2  LYS  11           1HD      LYS  11   7.737  -3.218   7.278
   88    HD3  LYS  11           2HD      LYS  11   7.411  -3.491   5.562
   89    HE2  LYS  11           1HE      LYS  11   8.776  -1.586   4.970
   90    HE3  LYS  11           2HE      LYS  11   9.047  -1.223   6.672
   91    HZ1  LYS  11           3HZ      LYS  11  10.957  -2.342   5.865
   92    HZ2  LYS  11           1HZ      LYS  11  10.034  -3.593   5.180
   93    HZ3  LYS  11           2HZ      LYS  11  10.130  -3.431   6.865
   94    H    LEU  12           H        LEU  12   2.471  -1.728   4.814
   95    HA   LEU  12           HA       LEU  12   3.909   0.018   3.064
   96    HB2  LEU  12           1HB      LEU  12   2.583  -1.926   2.281
   97    HB3  LEU  12           2HB      LEU  12   1.115  -1.078   2.714
   98    HG   LEU  12           HG       LEU  12   1.642   0.658   1.043
   99   HD11  LEU  12          1HD1      LEU  12   4.105   0.374   1.122
  100   HD12  LEU  12          2HD1      LEU  12   3.455   0.354  -0.518
  101   HD13  LEU  12          3HD1      LEU  12   3.919  -1.156   0.263
  102   HD21  LEU  12          3HD2      LEU  12   0.241  -1.237   0.413
  103   HD22  LEU  12          1HD2      LEU  12   1.677  -2.159  -0.033
  104   HD23  LEU  12          2HD2      LEU  12   1.240  -0.714  -0.945
  105    H    LYS  13           H        LYS  13   1.063   0.315   5.122
  106    HA   LYS  13           HA       LYS  13   0.318   2.929   4.461
  107    HB2  LYS  13           1HB      LYS  13  -0.959   1.497   5.994
  108    HB3  LYS  13           2HB      LYS  13   0.343   1.581   7.167
  109    HG2  LYS  13           1HG      LYS  13  -0.030   3.996   7.398
  110    HG3  LYS  13           2HG      LYS  13  -1.360   3.884   6.241
  111    HD2  LYS  13           1HD      LYS  13  -2.252   3.873   8.482
  112    HD3  LYS  13           2HD      LYS  13  -2.494   2.286   7.749
  113    HE2  LYS  13           1HE      LYS  13  -1.755   1.927   9.993
  114    HE3  LYS  13           2HE      LYS  13  -0.407   1.529   8.928
  115    HZ1  LYS  13           3HZ      LYS  13  -0.731   4.120  10.345
  116    HZ2  LYS  13           1HZ      LYS  13   0.601   3.642   9.411
  117    HZ3  LYS  13           2HZ      LYS  13   0.258   2.849  10.871
  118    H    GLU  14           H        GLU  14   2.879   1.677   6.503
  119    HA   GLU  14           HA       GLU  14   3.751   4.207   7.459
  120    HB2  GLU  14           1HB      GLU  14   5.248   1.591   7.300
  121    HB3  GLU  14           2HB      GLU  14   5.729   2.992   8.248
  122    HG2  GLU  14           1HG      GLU  14   3.581   2.786   9.496
  123    HG3  GLU  14           2HG      GLU  14   3.294   1.273   8.634
  124    H    PHE  15           H        PHE  15   5.046   2.016   4.965
  125    HA   PHE  15           HA       PHE  15   7.247   3.533   4.158
  126    HB2  PHE  15           1HB      PHE  15   6.345   1.140   3.502
  127    HB3  PHE  15           2HB      PHE  15   5.610   2.010   2.162
  128    HD1  PHE  15           HD1      PHE  15   8.922   2.578   3.750
  129    HD2  PHE  15           HD2      PHE  15   6.835   1.211   0.286
  130    HE1  PHE  15           HE1      PHE  15  11.052   2.385   2.540
  131    HE2  PHE  15           HE2      PHE  15   8.964   1.017  -0.916
  132    HZ   PHE  15           HZ       PHE  15  11.078   1.603   0.205
  133    H    VAL  16           H        VAL  16   3.861   3.964   3.392
  134    HA   VAL  16           HA       VAL  16   4.420   6.041   1.460
  135    HB   VAL  16           HB       VAL  16   1.787   5.196   2.676
  136   HG11  VAL  16          1HG1      VAL  16   1.708   7.510   1.911
  137   HG12  VAL  16          2HG1      VAL  16   0.751   6.468   0.857
  138   HG13  VAL  16          3HG1      VAL  16   2.343   7.023   0.339
  139   HG21  VAL  16          3HG2      VAL  16   1.382   4.122   0.511
  140   HG22  VAL  16          1HG2      VAL  16   2.797   3.445   1.317
  141   HG23  VAL  16          2HG2      VAL  16   3.000   4.581  -0.019
  142    H    LYS  17           H        LYS  17   2.859   5.971   4.684
  143    HA   LYS  17           HA       LYS  17   2.732   8.880   4.600
  144    HB2  LYS  17           1HB      LYS  17   0.758   7.463   5.224
  145    HB3  LYS  17           2HB      LYS  17   1.611   7.019   6.693
  146    HG2  LYS  17           1HG      LYS  17   0.031   8.747   7.192
  147    HG3  LYS  17           2HG      LYS  17   1.662   9.403   7.339
  148    HD2  LYS  17           1HD      LYS  17   1.471  10.466   5.177
  149    HD3  LYS  17           2HD      LYS  17  -0.105   9.720   4.913
  150    HE2  LYS  17           1HE      LYS  17   0.537  11.660   7.134
  151    HE3  LYS  17           2HE      LYS  17  -0.231  12.098   5.610
  152    HZ1  LYS  17           3HZ      LYS  17  -2.085  10.666   6.146
  153    HZ2  LYS  17           1HZ      LYS  17  -1.842  11.777   7.404
  154    HZ3  LYS  17           2HZ      LYS  17  -1.337  10.169   7.586
  155    H    ARG  18           H        ARG  18   4.300   6.354   6.483
  156    HA   ARG  18           HA       ARG  18   5.358   8.305   8.378
  157    HB2  ARG  18           1HB      ARG  18   5.480   5.300   8.222
  158    HB3  ARG  18           2HB      ARG  18   6.465   6.210   9.358
  159    HG2  ARG  18           1HG      ARG  18   4.464   7.120  10.395
  160    HG3  ARG  18           2HG      ARG  18   3.457   6.241   9.240
  161    HD2  ARG  18           1HD      ARG  18   4.170   4.141  10.101
  162    HD3  ARG  18           2HD      ARG  18   5.425   4.897  11.082
  163    HE   ARG  18           HE       ARG  18   2.889   5.900  11.818
  164   HH11  ARG  18          1HH1      ARG  18   4.783   2.955  12.004
  165   HH12  ARG  18          2HH1      ARG  18   4.111   2.479  13.539
  166   HH21  ARG  18          1HH2      ARG  18   2.014   5.279  13.835
  167   HH22  ARG  18          2HH2      ARG  18   2.555   3.805  14.587
  168    H    HIS  19           H        HIS  19   6.613   5.870   6.126
  169    HA   HIS  19           HA       HIS  19   9.335   6.589   6.518
  170    HB2  HIS  19           1HB      HIS  19   8.190   4.364   5.605
  171    HB3  HIS  19           2HB      HIS  19   8.427   5.166   4.062
  172    HD1  HIS  19           HD1      HIS  19  10.173   3.063   6.483
  173    HD2  HIS  19           HD2      HIS  19  11.192   5.788   3.517
  174    HE1  HIS  19           HE1      HIS  19  12.601   2.635   5.932
  175    H    GLN  20           H        GLN  20   6.833   7.471   4.415
  176    HA   GLN  20           HA       GLN  20   6.570   8.929   2.703
  177    HB2  GLN  20           1HB      GLN  20   8.848  10.260   4.173
  178    HB3  GLN  20           2HB      GLN  20   7.946  11.029   2.872
  179    HG2  GLN  20           1HG      GLN  20   5.894  10.841   4.180
  180    HG3  GLN  20           2HG      GLN  20   6.788  10.050   5.474
  181   HE21  GLN  20          1HE2      GLN  20   9.111  11.782   5.137
  182   HE22  GLN  20          2HE2      GLN  20   8.671  13.309   5.826
  183    H    ARG  21           H        ARG  21   8.354   6.634   2.306
  184    HA   ARG  21           HA       ARG  21   9.842   7.710   0.040
  185    HB2  ARG  21           1HB      ARG  21  10.832   5.759   2.074
  186    HB3  ARG  21           2HB      ARG  21  11.475   5.747   0.440
  187    HG2  ARG  21           1HG      ARG  21  12.040   8.176   0.766
  188    HG3  ARG  21           2HG      ARG  21  11.637   7.948   2.470
  189    HD2  ARG  21           1HD      ARG  21  14.044   7.706   2.064
  190    HD3  ARG  21           2HD      ARG  21  13.323   6.211   2.663
  191    HE   ARG  21           HE       ARG  21  13.515   6.413  -0.220
  192   HH11  ARG  21          1HH1      ARG  21  15.074   5.347   2.733
  193   HH12  ARG  21          2HH1      ARG  21  16.069   4.165   1.934
  194   HH21  ARG  21          1HH2      ARG  21  14.852   4.877  -1.285
  195   HH22  ARG  21          2HH2      ARG  21  15.950   3.905  -0.349
  196    H    ILE  22           H        ILE  22   8.244   7.145  -1.395
  197    HA   ILE  22           HA       ILE  22   8.490   4.546  -2.452
  198    HB   ILE  22           HB       ILE  22   6.961   4.204  -0.390
  199   HG12  ILE  22          1HG1      ILE  22   6.041   3.307  -3.136
  200   HG13  ILE  22          2HG1      ILE  22   7.284   2.531  -2.160
  201   HG21  ILE  22          1HG2      ILE  22   5.522   6.150  -0.789
  202   HG22  ILE  22          2HG2      ILE  22   4.593   4.651  -0.746
  203   HG23  ILE  22          3HG2      ILE  22   4.954   5.423  -2.290
  204   HD11  ILE  22          3HD1      ILE  22   5.274   1.276  -1.956
  205   HD12  ILE  22          1HD1      ILE  22   4.351   2.721  -1.545
  206   HD13  ILE  22          2HD1      ILE  22   5.563   2.099  -0.426
  207    H    THR  23           H        THR  23   7.839   4.531  -4.548
  208    HA   THR  23           HA       THR  23   5.869   6.550  -5.400
  209    HB   THR  23           HB       THR  23   6.926   6.571  -7.627
  210    HG1  THR  23           HG1      THR  23   8.875   4.891  -6.373
  211   HG21  THR  23          3HG2      THR  23   8.947   7.835  -7.053
  212   HG22  THR  23          1HG2      THR  23   8.869   7.213  -5.406
  213   HG23  THR  23          2HG2      THR  23   7.598   8.276  -6.008
  214    H    GLN  24           H        GLN  24   5.024   5.699  -7.727
  215    HA   GLN  24           HA       GLN  24   3.608   3.315  -7.180
  216    HB2  GLN  24           1HB      GLN  24   2.757   5.074  -8.673
  217    HB3  GLN  24           2HB      GLN  24   4.035   4.718  -9.826
  218    HG2  GLN  24           1HG      GLN  24   3.108   2.636 -10.379
  219    HG3  GLN  24           2HG      GLN  24   2.044   2.648  -8.972
  220   HE21  GLN  24          1HE2      GLN  24   1.448   2.357 -11.836
  221   HE22  GLN  24          2HE2      GLN  24   0.289   3.596 -12.188
  222    H    GLU  25           H        GLU  25   6.671   3.952  -8.624
  223    HA   GLU  25           HA       GLU  25   7.091   1.582 -10.055
  224    HB2  GLU  25           1HB      GLU  25   8.542   3.629 -10.091
  225    HB3  GLU  25           2HB      GLU  25   9.156   3.156  -8.513
  226    HG2  GLU  25           1HG      GLU  25  10.718   2.472 -10.191
  227    HG3  GLU  25           2HG      GLU  25   9.953   1.037  -9.506
  228    H    GLU  26           H        GLU  26   8.348   2.379  -6.807
  229    HA   GLU  26           HA       GLU  26   9.125  -0.256  -6.197
  230    HB2  GLU  26           1HB      GLU  26   8.439   1.991  -4.301
  231    HB3  GLU  26           2HB      GLU  26   9.221   0.492  -3.837
  232    HG2  GLU  26           1HG      GLU  26  10.958   2.016  -3.981
  233    HG3  GLU  26           2HG      GLU  26  11.039   1.139  -5.508
  234    H    LEU  27           H        LEU  27   6.151   1.529  -5.628
  235    HA   LEU  27           HA       LEU  27   5.018  -0.042  -3.660
  236    HB2  LEU  27           1HB      LEU  27   4.212   2.174  -4.594
  237    HB3  LEU  27           2HB      LEU  27   3.455   1.261  -5.882
  238    HG   LEU  27           HG       LEU  27   2.790   0.579  -3.041
  239   HD11  LEU  27          1HD1      LEU  27   0.995   2.230  -3.063
  240   HD12  LEU  27          2HD1      LEU  27   1.577   2.856  -4.606
  241   HD13  LEU  27          3HD1      LEU  27   2.574   3.006  -3.159
  242   HD21  LEU  27          3HD2      LEU  27   0.645  -0.020  -4.032
  243   HD22  LEU  27          1HD2      LEU  27   1.964  -0.833  -4.880
  244   HD23  LEU  27          2HD2      LEU  27   1.187   0.577  -5.600
  245    H    HIS  28           H        HIS  28   4.807  -0.485  -7.195
  246    HA   HIS  28           HA       HIS  28   3.014  -2.691  -6.949
  247    HB2  HIS  28           1HB      HIS  28   3.235  -1.279  -9.028
  248    HB3  HIS  28           2HB      HIS  28   4.767  -2.096  -9.338
  249    HD1  HIS  28           HD1      HIS  28   4.391  -4.931  -9.242
  250    HD2  HIS  28           HD2      HIS  28   1.210  -2.476 -10.323
  251    HE1  HIS  28           HE1      HIS  28   2.679  -6.425 -10.315
  252    H    GLN  29           H        GLN  29   6.527  -2.450  -7.527
  253    HA   GLN  29           HA       GLN  29   6.924  -5.241  -7.773
  254    HB2  GLN  29           1HB      GLN  29   8.579  -3.582  -8.542
  255    HB3  GLN  29           2HB      GLN  29   8.889  -3.120  -6.874
  256    HG2  GLN  29           1HG      GLN  29  10.627  -4.586  -7.719
  257    HG3  GLN  29           2HG      GLN  29   9.738  -5.351  -6.403
  258   HE21  GLN  29          1HE2      GLN  29  10.333  -7.412  -7.048
  259   HE22  GLN  29          2HE2      GLN  29   9.673  -8.177  -8.451
  260    H    TYR  30           H        TYR  30   6.852  -3.055  -5.052
  261    HA   TYR  30           HA       TYR  30   7.728  -4.971  -3.119
  262    HB2  TYR  30           1HB      TYR  30   7.897  -2.442  -2.946
  263    HB3  TYR  30           2HB      TYR  30   6.170  -2.428  -2.623
  264    HD1  TYR  30           HD1      TYR  30   8.805  -4.757  -1.365
  265    HD2  TYR  30           HD2      TYR  30   5.981  -1.714  -0.419
  266    HE1  TYR  30           HE1      TYR  30   9.270  -5.077   1.025
  267    HE2  TYR  30           HE2      TYR  30   6.446  -2.029   1.976
  268    HH   TYR  30           HH       TYR  30   7.312  -3.865   3.455
  269    H    ALA  31           H        ALA  31   4.785  -4.364  -4.754
  270    HA   ALA  31           HA       ALA  31   3.001  -5.316  -2.718
  271    HB1  ALA  31           3HB      ALA  31   2.213  -3.820  -4.495
  272    HB2  ALA  31           1HB      ALA  31   1.314  -5.337  -4.495
  273    HB3  ALA  31           2HB      ALA  31   2.573  -5.056  -5.700
  274    H    GLN  32           H        GLN  32   4.537  -6.667  -5.590
  275    HA   GLN  32           HA       GLN  32   3.345  -9.247  -5.298
  276    HB2  GLN  32           1HB      GLN  32   5.793  -8.411  -6.872
  277    HB3  GLN  32           2HB      GLN  32   4.974  -9.959  -7.015
  278    HG2  GLN  32           1HG      GLN  32   3.838  -7.256  -7.709
  279    HG3  GLN  32           2HG      GLN  32   4.344  -8.514  -8.833
  280   HE21  GLN  32          1HE2      GLN  32   3.045 -10.279  -9.172
  281   HE22  GLN  32          2HE2      GLN  32   1.408 -10.358  -8.616
  282    H    ARG  33           H        ARG  33   6.152  -7.658  -4.071
  283    HA   ARG  33           HA       ARG  33   7.564  -9.949  -3.174
  284    HB2  ARG  33           1HB      ARG  33   8.704  -7.837  -3.435
  285    HB3  ARG  33           2HB      ARG  33   7.626  -7.061  -2.289
  286    HG2  ARG  33           1HG      ARG  33   9.713  -7.423  -1.211
  287    HG3  ARG  33           2HG      ARG  33   8.549  -8.549  -0.517
  288    HD2  ARG  33           1HD      ARG  33  10.461  -9.293  -2.721
  289    HD3  ARG  33           2HD      ARG  33  10.838  -9.486  -1.012
  290    HE   ARG  33           HE       ARG  33   8.390 -10.751  -1.524
  291   HH11  ARG  33          1HH1      ARG  33  11.806 -11.120  -2.223
  292   HH12  ARG  33          2HH1      ARG  33  11.694 -12.844  -2.443
  293   HH21  ARG  33          1HH2      ARG  33   8.257 -13.017  -1.824
  294   HH22  ARG  33          2HH2      ARG  33   9.693 -13.914  -2.211
  295    H    LEU  34           H        LEU  34   5.089  -7.891  -1.735
  296    HA   LEU  34           HA       LEU  34   5.354  -9.242   0.823
  297    HB2  LEU  34           1HB      LEU  34   3.526  -7.012  -0.060
  298    HB3  LEU  34           2HB      LEU  34   3.629  -7.637   1.575
  299    HG   LEU  34           HG       LEU  34   5.861  -6.266   0.075
  300   HD11  LEU  34          1HD1      LEU  34   4.303  -5.295   2.463
  301   HD12  LEU  34          2HD1      LEU  34   3.971  -4.807   0.802
  302   HD13  LEU  34          3HD1      LEU  34   5.523  -4.417   1.541
  303   HD21  LEU  34          3HD2      LEU  34   7.042  -6.338   2.228
  304   HD22  LEU  34          1HD2      LEU  34   6.720  -7.953   1.593
  305   HD23  LEU  34          2HD2      LEU  34   5.732  -7.307   2.904
  306    H    GLY  35           H        GLY  35   3.243  -9.291  -1.956
  307    HA2  GLY  35           1HA      GLY  35   2.028 -11.390  -2.287
  308    HA3  GLY  35           2HA      GLY  35   1.686 -11.387  -0.568
  309    H    LEU  36           H        LEU  36   1.420  -8.739  -2.915
  310    HA   LEU  36           HA       LEU  36  -1.251  -8.250  -1.863
  311    HB2  LEU  36           1HB      LEU  36   0.616  -6.557  -3.503
  312    HB3  LEU  36           2HB      LEU  36  -1.041  -6.095  -3.160
  313    HG   LEU  36           HG       LEU  36   1.180  -6.470  -1.159
  314   HD11  LEU  36          1HD1      LEU  36   1.207  -4.359  -2.394
  315   HD12  LEU  36          2HD1      LEU  36   0.796  -4.112  -0.698
  316   HD13  LEU  36          3HD1      LEU  36  -0.468  -4.064  -1.927
  317   HD21  LEU  36          3HD2      LEU  36  -0.867  -7.387  -0.247
  318   HD22  LEU  36          1HD2      LEU  36  -1.752  -5.932  -0.705
  319   HD23  LEU  36          2HD2      LEU  36  -0.495  -5.848   0.527
  320    H    ASN  37           H        ASN  37  -2.766  -7.250  -3.324
  321    HA   ASN  37           HA       ASN  37  -2.768  -8.245  -6.069
  322    HB2  ASN  37           1HB      ASN  37  -5.304  -8.521  -5.776
  323    HB3  ASN  37           2HB      ASN  37  -4.292  -9.750  -5.033
  324   HD21  ASN  37          1HD2      ASN  37  -4.618  -6.567  -3.618
  325   HD22  ASN  37          2HD2      ASN  37  -5.574  -7.066  -2.263
  326    H    GLU  38           H        GLU  38  -4.516  -6.915  -7.330
  327    HA   GLU  38           HA       GLU  38  -3.725  -4.218  -7.079
  328    HB2  GLU  38           1HB      GLU  38  -5.900  -5.511  -8.721
  329    HB3  GLU  38           2HB      GLU  38  -5.467  -3.809  -8.849
  330    HG2  GLU  38           1HG      GLU  38  -3.221  -4.396  -9.534
  331    HG3  GLU  38           2HG      GLU  38  -3.584  -6.109  -9.324
  332    H    GLU  39           H        GLU  39  -6.356  -5.976  -5.685
  333    HA   GLU  39           HA       GLU  39  -8.178  -4.042  -4.948
  334    HB2  GLU  39           1HB      GLU  39  -8.510  -6.330  -4.304
  335    HB3  GLU  39           2HB      GLU  39  -7.007  -6.356  -3.394
  336    HG2  GLU  39           1HG      GLU  39  -8.729  -6.276  -1.799
  337    HG3  GLU  39           2HG      GLU  39  -8.050  -4.650  -1.855
  338    H    ALA  40           H        ALA  40  -5.264  -4.975  -3.201
  339    HA   ALA  40           HA       ALA  40  -5.421  -2.921  -1.249
  340    HB1  ALA  40           3HB      ALA  40  -4.290  -4.910  -0.662
  341    HB2  ALA  40           1HB      ALA  40  -3.046  -3.666  -0.769
  342    HB3  ALA  40           2HB      ALA  40  -3.247  -4.826  -2.081
  343    H    ILE  41           H        ILE  41  -3.631  -3.348  -4.234
  344    HA   ILE  41           HA       ILE  41  -1.878  -1.183  -3.956
  345    HB   ILE  41           HB       ILE  41  -2.923  -2.440  -6.499
  346   HG12  ILE  41          1HG1      ILE  41  -0.448  -3.058  -4.866
  347   HG13  ILE  41          2HG1      ILE  41  -1.903  -4.050  -4.923
  348   HG21  ILE  41          1HG2      ILE  41  -1.878  -0.296  -6.941
  349   HG22  ILE  41          2HG2      ILE  41  -0.839  -1.602  -7.508
  350   HG23  ILE  41          3HG2      ILE  41  -0.461  -0.766  -6.003
  351   HD11  ILE  41          3HD1      ILE  41  -1.517  -4.475  -7.293
  352   HD12  ILE  41          1HD1      ILE  41  -0.137  -4.969  -6.309
  353   HD13  ILE  41          2HD1      ILE  41  -0.068  -3.472  -7.239
  354    H    ARG  42           H        ARG  42  -5.006  -1.451  -5.610
  355    HA   ARG  42           HA       ARG  42  -5.118   1.241  -6.466
  356    HB2  ARG  42           1HB      ARG  42  -6.406  -0.454  -7.573
  357    HB3  ARG  42           2HB      ARG  42  -7.233  -0.824  -6.085
  358    HG2  ARG  42           1HG      ARG  42  -8.286   1.355  -6.104
  359    HG3  ARG  42           2HG      ARG  42  -7.472   1.733  -7.620
  360    HD2  ARG  42           1HD      ARG  42  -8.635  -0.038  -8.747
  361    HD3  ARG  42           2HD      ARG  42  -9.329  -0.608  -7.230
  362    HE   ARG  42           HE       ARG  42 -10.044   2.094  -7.653
  363   HH11  ARG  42          1HH1      ARG  42 -10.732  -1.122  -8.882
  364   HH12  ARG  42          2HH1      ARG  42 -12.350  -0.715  -9.365
  365   HH21  ARG  42          1HH2      ARG  42 -12.142   2.619  -8.281
  366   HH22  ARG  42          2HH2      ARG  42 -13.160   1.415  -9.019
  367    H    GLN  43           H        GLN  43  -6.240  -0.452  -3.607
  368    HA   GLN  43           HA       GLN  43  -7.913   1.509  -2.532
  369    HB2  GLN  43           1HB      GLN  43  -7.879  -0.782  -1.722
  370    HB3  GLN  43           2HB      GLN  43  -6.233  -0.584  -1.143
  371    HG2  GLN  43           1HG      GLN  43  -6.967   1.001   0.519
  372    HG3  GLN  43           2HG      GLN  43  -8.612   0.938  -0.111
  373   HE21  GLN  43          1HE2      GLN  43  -9.438   0.279   1.855
  374   HE22  GLN  43          2HE2      GLN  43  -9.204  -1.328   2.458
  375    H    PHE  44           H        PHE  44  -4.427   0.992  -2.069
  376    HA   PHE  44           HA       PHE  44  -4.056   3.007  -0.145
  377    HB2  PHE  44           1HB      PHE  44  -2.358   1.375  -1.914
  378    HB3  PHE  44           2HB      PHE  44  -1.642   2.848  -1.284
  379    HD1  PHE  44           HD1      PHE  44  -2.010   3.221   1.301
  380    HD2  PHE  44           HD2      PHE  44  -2.144  -0.556  -0.656
  381    HE1  PHE  44           HE1      PHE  44  -1.522   2.102   3.434
  382    HE2  PHE  44           HE2      PHE  44  -1.657  -1.679   1.481
  383    HZ   PHE  44           HZ       PHE  44  -1.341  -0.346   3.526
  384    H    PHE  45           H        PHE  45  -4.361   3.148  -3.583
  385    HA   PHE  45           HA       PHE  45  -3.274   5.835  -3.681
  386    HB2  PHE  45           1HB      PHE  45  -4.444   4.018  -5.778
  387    HB3  PHE  45           2HB      PHE  45  -4.095   5.707  -6.116
  388    HD1  PHE  45           HD1      PHE  45  -1.628   6.417  -5.267
  389    HD2  PHE  45           HD2      PHE  45  -2.850   2.508  -6.423
  390    HE1  PHE  45           HE1      PHE  45   0.709   5.840  -5.772
  391    HE2  PHE  45           HE2      PHE  45  -0.513   1.926  -6.931
  392    HZ   PHE  45           HZ       PHE  45   1.268   3.593  -6.601
  393    H    GLU  46           H        GLU  46  -6.482   4.421  -4.504
  394    HA   GLU  46           HA       GLU  46  -7.513   7.098  -4.772
  395    HB2  GLU  46           1HB      GLU  46  -9.512   6.107  -5.613
  396    HB3  GLU  46           2HB      GLU  46  -8.140   5.280  -6.313
  397    HG2  GLU  46           1HG      GLU  46  -8.485   3.361  -5.020
  398    HG3  GLU  46           2HG      GLU  46  -9.619   4.189  -3.954
  399    H    GLU  47           H        GLU  47  -8.248   4.336  -2.666
  400    HA   GLU  47           HA       GLU  47 -10.306   5.682  -1.250
  401    HB2  GLU  47           1HB      GLU  47 -10.037   3.196  -1.379
  402    HB3  GLU  47           2HB      GLU  47  -8.665   3.333  -0.288
  403    HG2  GLU  47           1HG      GLU  47 -10.161   4.331   1.406
  404    HG3  GLU  47           2HG      GLU  47 -11.523   4.066   0.319
  405    H    PHE  48           H        PHE  48  -6.914   5.718  -1.044
  406    HA   PHE  48           HA       PHE  48  -6.289   6.360   1.549
  407    HB2  PHE  48           1HB      PHE  48  -4.857   6.133  -0.607
  408    HB3  PHE  48           2HB      PHE  48  -5.102   7.864  -0.755
  409    HD1  PHE  48           HD1      PHE  48  -3.701   5.236   1.408
  410    HD2  PHE  48           HD2      PHE  48  -3.865   9.389   0.526
  411    HE1  PHE  48           HE1      PHE  48  -1.794   5.620   2.906
  412    HE2  PHE  48           HE2      PHE  48  -1.953   9.788   2.022
  413    HZ   PHE  48           HZ       PHE  48  -0.915   7.901   3.221
  414    H    GLU  49           H        GLU  49  -6.943   8.666  -1.038
  415    HA   GLU  49           HA       GLU  49  -7.001  10.942   0.655
  416    HB2  GLU  49           1HB      GLU  49  -7.661  12.125  -1.400
  417    HB3  GLU  49           2HB      GLU  49  -6.294  11.048  -1.671
  418    HG2  GLU  49           1HG      GLU  49  -7.889   9.350  -2.553
  419    HG3  GLU  49           2HG      GLU  49  -9.164  10.555  -2.421
  420    H    GLN  50           H        GLN  50  -9.314   8.570   0.141
  421    HA   GLN  50           HA       GLN  50 -11.613  10.356   0.221
  422    HB2  GLN  50           1HB      GLN  50 -11.551   7.334   0.257
  423    HB3  GLN  50           2HB      GLN  50 -12.952   8.354  -0.044
  424    HG2  GLN  50           1HG      GLN  50 -11.889   9.189  -2.090
  425    HG3  GLN  50           2HG      GLN  50 -10.507   8.131  -1.788
  426   HE21  GLN  50          1HE2      GLN  50 -12.227   5.979  -0.779
  427   HE22  GLN  50          2HE2      GLN  50 -12.932   5.256  -2.188
  428    H    ARG  51           H        ARG  51  -9.526   9.097   2.417
  429    HA   ARG  51           HA       ARG  51 -11.496   8.474   4.466
  430    HB2  ARG  51           1HB      ARG  51  -8.486   8.308   4.423
  431    HB3  ARG  51           2HB      ARG  51  -9.473   7.865   5.809
  432    HG2  ARG  51           1HG      ARG  51 -10.399   6.032   4.702
  433    HG3  ARG  51           2HG      ARG  51  -9.892   6.632   3.121
  434    HD2  ARG  51           1HD      ARG  51  -7.598   6.194   3.617
  435    HD3  ARG  51           2HD      ARG  51  -7.986   5.771   5.285
  436    HE   ARG  51           HE       ARG  51  -9.032   4.175   3.044
  437   HH11  ARG  51          1HH1      ARG  51  -7.217   4.420   6.032
  438   HH12  ARG  51          2HH1      ARG  51  -6.991   2.700   6.182
  439   HH21  ARG  51          1HH2      ARG  51  -8.752   1.913   3.256
  440   HH22  ARG  51          2HH2      ARG  51  -7.850   1.290   4.613
  441    H    LYS  52           H        LYS  52 -12.402  10.299   5.215
  442    HA   LYS  52           HA       LYS  52 -10.599  12.314   6.387
  443    HB2  LYS  52           1HB      LYS  52 -13.370  12.892   5.323
  444    HB3  LYS  52           2HB      LYS  52 -12.172  14.054   5.862
  445    HG2  LYS  52           1HG      LYS  52 -11.925  12.322   3.414
  446    HG3  LYS  52           2HG      LYS  52 -12.446  14.006   3.421
  447    HD2  LYS  52           1HD      LYS  52 -10.242  14.604   4.435
  448    HD3  LYS  52           2HD      LYS  52  -9.745  12.925   4.212
  449    HE2  LYS  52           1HE      LYS  52 -10.300  13.202   1.777
  450    HE3  LYS  52           2HE      LYS  52 -10.456  14.931   2.093
  451    HZ1  LYS  52           3HZ      LYS  52  -8.239  14.291   1.277
  452    HZ2  LYS  52           1HZ      LYS  52  -8.022  13.325   2.655
  453    HZ3  LYS  52           2HZ      LYS  52  -8.182  15.007   2.812
  Start of MODEL   25
    1    H1   MET   1           1H       MET   1 -12.273 -10.408   3.023
    2    H2   MET   1           2H       MET   1 -13.050  -8.934   3.332
    3    H3   MET   1           3H       MET   1 -13.835 -10.396   3.678
    4    HA   MET   1           HA       MET   1 -12.986  -9.289   5.669
    5    HB2  MET   1           1HB      MET   1 -11.668 -11.914   4.949
    6    HB3  MET   1           2HB      MET   1 -11.752 -11.261   6.576
    7    HG2  MET   1           1HG      MET   1 -14.152 -11.948   4.894
    8    HG3  MET   1           2HG      MET   1 -13.428 -13.022   6.085
    9    HE1  MET   1           3HE      MET   1 -15.811 -10.067   5.417
   10    HE2  MET   1           1HE      MET   1 -14.426  -9.137   5.993
   11    HE3  MET   1           2HE      MET   1 -15.896  -9.227   6.966
   12    H    LYS   2           H        LYS   2 -10.184 -10.902   4.204
   13    HA   LYS   2           HA       LYS   2  -8.682  -8.406   4.543
   14    HB2  LYS   2           1HB      LYS   2  -6.657  -9.938   4.966
   15    HB3  LYS   2           2HB      LYS   2  -7.793  -9.681   6.278
   16    HG2  LYS   2           1HG      LYS   2  -8.820 -11.839   5.842
   17    HG3  LYS   2           2HG      LYS   2  -7.724 -12.098   4.481
   18    HD2  LYS   2           1HD      LYS   2  -5.828 -12.176   5.923
   19    HD3  LYS   2           2HD      LYS   2  -6.775 -11.609   7.298
   20    HE2  LYS   2           1HE      LYS   2  -6.304 -14.012   7.421
   21    HE3  LYS   2           2HE      LYS   2  -8.031 -13.676   7.328
   22    HZ1  LYS   2           3HZ      LYS   2  -7.127 -15.546   5.907
   23    HZ2  LYS   2           1HZ      LYS   2  -6.439 -14.350   4.920
   24    HZ3  LYS   2           2HZ      LYS   2  -8.124 -14.417   5.129
   25    H    GLN   3           H        GLN   3  -7.778  -7.693   2.762
   26    HA   GLN   3           HA       GLN   3  -7.947  -9.432   0.388
   27    HB2  GLN   3           1HB      GLN   3  -7.975  -6.417   0.632
   28    HB3  GLN   3           2HB      GLN   3  -7.892  -7.269  -0.901
   29    HG2  GLN   3           1HG      GLN   3 -10.130  -6.688  -0.677
   30    HG3  GLN   3           2HG      GLN   3 -10.073  -8.386  -0.210
   31   HE21  GLN   3          1HE2      GLN   3 -10.457  -5.113   0.920
   32   HE22  GLN   3          2HE2      GLN   3 -11.123  -5.516   2.463
   33    H    TRP   4           H        TRP   4  -5.787  -8.810   2.509
   34    HA   TRP   4           HA       TRP   4  -3.522  -8.916   0.777
   35    HB2  TRP   4           1HB      TRP   4  -2.513  -6.821   1.997
   36    HB3  TRP   4           2HB      TRP   4  -3.526  -6.611   0.590
   37    HD1  TRP   4           HD1      TRP   4  -4.415  -4.232   1.112
   38    HE1  TRP   4           HE1      TRP   4  -5.929  -3.230   2.938
   39    HE3  TRP   4           HE3      TRP   4  -4.531  -8.174   4.319
   40    HZ2  TRP   4           HZ2      TRP   4  -7.037  -4.018   5.394
   41    HZ3  TRP   4           HZ3      TRP   4  -5.841  -7.982   6.393
   42    HH2  TRP   4           HH2      TRP   4  -7.068  -5.939   6.916
   43    H    SER   5           H        SER   5  -1.528  -8.309   2.543
   44    HA   SER   5           HA       SER   5  -2.126  -9.923   4.887
   45    HB2  SER   5           1HB      SER   5  -0.028 -10.432   3.762
   46    HB3  SER   5           2HB      SER   5   0.480  -8.751   3.899
   47    HG   SER   5           HG       SER   5   0.321 -10.740   5.862
   48    H    GLU   6           H        GLU   6  -3.019  -8.861   6.548
   49    HA   GLU   6           HA       GLU   6  -3.240  -6.196   7.089
   50    HB2  GLU   6           1HB      GLU   6  -4.336  -7.920   8.410
   51    HB3  GLU   6           2HB      GLU   6  -2.791  -8.434   9.071
   52    HG2  GLU   6           1HG      GLU   6  -2.554  -6.270  10.184
   53    HG3  GLU   6           2HG      GLU   6  -4.113  -5.772   9.527
   54    H    ASN   7           H        ASN   7  -0.527  -8.247   8.017
   55    HA   ASN   7           HA       ASN   7   1.040  -6.387   9.378
   56    HB2  ASN   7           1HB      ASN   7   1.895  -8.626   7.548
   57    HB3  ASN   7           2HB      ASN   7   2.954  -7.806   8.694
   58   HD21  ASN   7          1HD2      ASN   7   2.726  -8.198  10.883
   59   HD22  ASN   7          2HD2      ASN   7   1.820  -9.546  11.494
   60    H    VAL   8           H        VAL   8   0.864  -7.180   5.955
   61    HA   VAL   8           HA       VAL   8   2.892  -5.446   5.072
   62    HB   VAL   8           HB       VAL   8   0.537  -6.646   3.621
   63   HG11  VAL   8          1HG1      VAL   8   1.766  -5.999   1.558
   64   HG12  VAL   8          2HG1      VAL   8   2.809  -4.983   2.551
   65   HG13  VAL   8          3HG1      VAL   8   1.080  -4.645   2.451
   66   HG21  VAL   8          3HG2      VAL   8   3.489  -7.284   3.603
   67   HG22  VAL   8          1HG2      VAL   8   2.256  -8.086   2.631
   68   HG23  VAL   8          2HG2      VAL   8   2.225  -8.231   4.389
   69    H    GLU   9           H        GLU   9  -0.658  -5.026   5.212
   70    HA   GLU   9           HA       GLU   9  -0.761  -2.507   4.014
   71    HB2  GLU   9           1HB      GLU   9  -2.766  -3.853   4.532
   72    HB3  GLU   9           2HB      GLU   9  -2.521  -3.541   6.250
   73    HG2  GLU   9           1HG      GLU   9  -2.726  -1.094   5.747
   74    HG3  GLU   9           2HG      GLU   9  -3.169  -1.529   4.102
   75    H    GLU  10           H        GLU  10  -0.281  -3.411   7.383
   76    HA   GLU  10           HA       GLU  10  -0.078  -0.899   8.553
   77    HB2  GLU  10           1HB      GLU  10  -0.122  -2.637  10.073
   78    HB3  GLU  10           2HB      GLU  10   0.996  -3.618   9.140
   79    HG2  GLU  10           1HG      GLU  10   2.827  -2.126   9.819
   80    HG3  GLU  10           2HG      GLU  10   1.689  -1.224  10.822
   81    H    LYS  11           H        LYS  11   2.549  -2.967   7.355
   82    HA   LYS  11           HA       LYS  11   4.581  -1.061   7.824
   83    HB2  LYS  11           1HB      LYS  11   4.933  -3.499   7.705
   84    HB3  LYS  11           2HB      LYS  11   4.593  -3.456   5.980
   85    HG2  LYS  11           1HG      LYS  11   6.559  -2.137   5.572
   86    HG3  LYS  11           2HG      LYS  11   6.862  -1.982   7.304
   87    HD2  LYS  11           1HD      LYS  11   6.884  -4.557   5.728
   88    HD3  LYS  11           2HD      LYS  11   8.309  -3.677   6.286
   89    HE2  LYS  11           1HE      LYS  11   7.543  -3.985   8.614
   90    HE3  LYS  11           2HE      LYS  11   6.176  -4.926   8.022
   91    HZ1  LYS  11           3HZ      LYS  11   9.052  -5.610   7.818
   92    HZ2  LYS  11           1HZ      LYS  11   7.828  -6.468   7.018
   93    HZ3  LYS  11           2HZ      LYS  11   7.867  -6.423   8.712
   94    H    LEU  12           H        LEU  12   2.615  -1.825   5.025
   95    HA   LEU  12           HA       LEU  12   3.987  -0.359   3.067
   96    HB2  LEU  12           1HB      LEU  12   2.040  -1.977   2.777
   97    HB3  LEU  12           2HB      LEU  12   0.992  -0.659   3.261
   98    HG   LEU  12           HG       LEU  12   2.127   0.624   1.304
   99   HD11  LEU  12          1HD1      LEU  12   3.870  -0.964   0.816
  100   HD12  LEU  12          2HD1      LEU  12   2.757  -0.889  -0.552
  101   HD13  LEU  12          3HD1      LEU  12   2.682  -2.244   0.569
  102   HD21  LEU  12          3HD2      LEU  12   0.435  -0.256  -0.248
  103   HD22  LEU  12          1HD2      LEU  12  -0.227   0.034   1.361
  104   HD23  LEU  12          2HD2      LEU  12   0.153  -1.608   0.848
  105    H    LYS  13           H        LYS  13   1.264   0.527   5.137
  106    HA   LYS  13           HA       LYS  13   0.872   3.161   4.461
  107    HB2  LYS  13           1HB      LYS  13  -0.673   2.238   5.940
  108    HB3  LYS  13           2HB      LYS  13   0.574   1.567   6.976
  109    HG2  LYS  13           1HG      LYS  13   1.096   3.996   7.596
  110    HG3  LYS  13           2HG      LYS  13  -0.474   4.369   6.872
  111    HD2  LYS  13           1HD      LYS  13  -1.563   2.777   8.353
  112    HD3  LYS  13           2HD      LYS  13  -0.007   2.334   9.050
  113    HE2  LYS  13           1HE      LYS  13   0.233   4.689   9.835
  114    HE3  LYS  13           2HE      LYS  13  -1.408   4.997   9.259
  115    HZ1  LYS  13           3HZ      LYS  13  -0.603   3.049  11.353
  116    HZ2  LYS  13           1HZ      LYS  13  -2.180   3.216  10.751
  117    HZ3  LYS  13           2HZ      LYS  13  -1.455   4.496  11.594
  118    H    GLU  14           H        GLU  14   3.187   1.820   6.767
  119    HA   GLU  14           HA       GLU  14   4.205   4.428   7.441
  120    HB2  GLU  14           1HB      GLU  14   5.185   1.689   8.238
  121    HB3  GLU  14           2HB      GLU  14   5.708   3.217   8.940
  122    HG2  GLU  14           1HG      GLU  14   3.248   3.601   9.500
  123    HG3  GLU  14           2HG      GLU  14   3.029   1.889   9.147
  124    H    PHE  15           H        PHE  15   4.808   2.204   4.981
  125    HA   PHE  15           HA       PHE  15   7.547   3.096   4.570
  126    HB2  PHE  15           1HB      PHE  15   6.955   0.739   4.145
  127    HB3  PHE  15           2HB      PHE  15   5.797   1.251   2.924
  128    HD1  PHE  15           HD1      PHE  15   9.412   1.323   3.774
  129    HD2  PHE  15           HD2      PHE  15   6.468   1.509   0.706
  130    HE1  PHE  15           HE1      PHE  15  11.185   1.209   2.072
  131    HE2  PHE  15           HE2      PHE  15   8.237   1.404  -1.000
  132    HZ   PHE  15           HZ       PHE  15  10.597   1.250  -0.319
  133    H    VAL  16           H        VAL  16   4.330   3.781   3.503
  134    HA   VAL  16           HA       VAL  16   5.025   5.104   1.092
  135    HB   VAL  16           HB       VAL  16   2.512   5.302   2.758
  136   HG11  VAL  16          1HG1      VAL  16   2.772   7.318   1.428
  137   HG12  VAL  16          2HG1      VAL  16   1.481   6.313   0.767
  138   HG13  VAL  16          3HG1      VAL  16   3.061   6.351  -0.018
  139   HG21  VAL  16          3HG2      VAL  16   2.914   3.088   1.807
  140   HG22  VAL  16          1HG2      VAL  16   3.096   3.801   0.206
  141   HG23  VAL  16          2HG2      VAL  16   1.538   3.871   1.030
  142    H    LYS  17           H        LYS  17   3.759   6.514   4.139
  143    HA   LYS  17           HA       LYS  17   5.038   9.000   3.276
  144    HB2  LYS  17           1HB      LYS  17   3.534  10.011   5.090
  145    HB3  LYS  17           2HB      LYS  17   2.851   9.550   3.540
  146    HG2  LYS  17           1HG      LYS  17   2.066   7.442   4.582
  147    HG3  LYS  17           2HG      LYS  17   2.655   8.048   6.138
  148    HD2  LYS  17           1HD      LYS  17   1.223  10.000   5.929
  149    HD3  LYS  17           2HD      LYS  17   0.661   9.434   4.361
  150    HE2  LYS  17           1HE      LYS  17  -0.459   7.565   5.358
  151    HE3  LYS  17           2HE      LYS  17   0.272   7.899   6.929
  152    HZ1  LYS  17           3HZ      LYS  17  -1.689   9.628   5.510
  153    HZ2  LYS  17           1HZ      LYS  17  -0.945  10.004   6.985
  154    HZ3  LYS  17           2HZ      LYS  17  -1.998   8.681   6.881
  155    H    ARG  18           H        ARG  18   5.042   6.692   5.867
  156    HA   ARG  18           HA       ARG  18   6.590   8.408   7.598
  157    HB2  ARG  18           1HB      ARG  18   5.765   5.516   7.836
  158    HB3  ARG  18           2HB      ARG  18   6.789   6.312   9.019
  159    HG2  ARG  18           1HG      ARG  18   4.989   7.941   9.447
  160    HG3  ARG  18           2HG      ARG  18   3.964   7.076   8.301
  161    HD2  ARG  18           1HD      ARG  18   4.002   5.092   9.685
  162    HD3  ARG  18           2HD      ARG  18   5.165   5.841  10.781
  163    HE   ARG  18           HE       ARG  18   2.869   7.461  10.624
  164   HH11  ARG  18          1HH1      ARG  18   3.900   4.364  11.936
  165   HH12  ARG  18          2HH1      ARG  18   2.701   4.376  13.203
  166   HH21  ARG  18          1HH2      ARG  18   1.320   7.461  12.311
  167   HH22  ARG  18          2HH2      ARG  18   1.253   6.123  13.419
  168    H    HIS  19           H        HIS  19   7.384   6.804   4.850
  169    HA   HIS  19           HA       HIS  19  10.184   6.649   5.699
  170    HB2  HIS  19           1HB      HIS  19   8.563   4.458   4.530
  171    HB3  HIS  19           2HB      HIS  19  10.204   4.640   3.919
  172    HD1  HIS  19           HD1      HIS  19   8.311   3.720   7.049
  173    HD2  HIS  19           HD2      HIS  19  12.218   3.950   5.654
  174    HE1  HIS  19           HE1      HIS  19   9.751   2.527   8.759
  175    H    GLN  20           H        GLN  20  10.095   8.775   4.642
  176    HA   GLN  20           HA       GLN  20  11.001  10.113   3.076
  177    HB2  GLN  20           1HB      GLN  20  12.772   9.322   1.810
  178    HB3  GLN  20           2HB      GLN  20  12.681   8.165   3.132
  179    HG2  GLN  20           1HG      GLN  20  11.433   6.647   1.705
  180    HG3  GLN  20           2HG      GLN  20  11.544   7.791   0.376
  181   HE21  GLN  20          1HE2      GLN  20  12.445   5.075   0.491
  182   HE22  GLN  20          2HE2      GLN  20  14.152   5.108   0.177
  183    H    ARG  21           H        ARG  21   8.351   8.483   2.358
  184    HA   ARG  21           HA       ARG  21   6.817   8.465   0.681
  185    HB2  ARG  21           1HB      ARG  21   8.712  10.468  -0.536
  186    HB3  ARG  21           2HB      ARG  21   7.308   9.883  -1.414
  187    HG2  ARG  21           1HG      ARG  21   5.818  10.844   0.137
  188    HG3  ARG  21           2HG      ARG  21   7.112  11.158   1.296
  189    HD2  ARG  21           1HD      ARG  21   6.341  13.169   0.015
  190    HD3  ARG  21           2HD      ARG  21   8.067  12.834  -0.098
  191    HE   ARG  21           HE       ARG  21   6.099  12.261  -2.227
  192   HH11  ARG  21          1HH1      ARG  21   9.364  12.975  -1.174
  193   HH12  ARG  21          2HH1      ARG  21   9.982  13.166  -2.789
  194   HH21  ARG  21          1HH2      ARG  21   6.906  12.525  -4.354
  195   HH22  ARG  21          2HH2      ARG  21   8.588  12.915  -4.596
  196    H    ILE  22           H        ILE  22   6.580   7.732  -1.675
  197    HA   ILE  22           HA       ILE  22   8.857   6.262  -2.688
  198    HB   ILE  22           HB       ILE  22   7.876   4.744  -0.967
  199   HG12  ILE  22          1HG1      ILE  22   7.496   2.757  -2.537
  200   HG13  ILE  22          2HG1      ILE  22   7.707   3.889  -3.862
  201   HG21  ILE  22          1HG2      ILE  22   5.458   4.684  -2.757
  202   HG22  ILE  22          2HG2      ILE  22   5.551   5.529  -1.217
  203   HG23  ILE  22          3HG2      ILE  22   5.697   3.771  -1.268
  204   HD11  ILE  22          3HD1      ILE  22   9.788   3.495  -1.730
  205   HD12  ILE  22          1HD1      ILE  22   9.971   4.271  -3.302
  206   HD13  ILE  22          2HD1      ILE  22   9.727   2.529  -3.201
  207    H    THR  23           H        THR  23   8.718   5.892  -4.853
  208    HA   THR  23           HA       THR  23   6.527   7.013  -6.323
  209    HB   THR  23           HB       THR  23   7.852   5.969  -8.283
  210    HG1  THR  23           HG1      THR  23  10.057   5.490  -7.680
  211   HG21  THR  23          3HG2      THR  23   9.123   8.044  -6.486
  212   HG22  THR  23          1HG2      THR  23   7.941   8.344  -7.760
  213   HG23  THR  23          2HG2      THR  23   9.554   7.761  -8.173
  214    H    GLN  24           H        GLN  24   5.106   5.855  -7.721
  215    HA   GLN  24           HA       GLN  24   4.012   3.572  -6.492
  216    HB2  GLN  24           1HB      GLN  24   2.673   5.154  -7.818
  217    HB3  GLN  24           2HB      GLN  24   3.496   4.622  -9.278
  218    HG2  GLN  24           1HG      GLN  24   2.572   2.401  -9.032
  219    HG3  GLN  24           2HG      GLN  24   1.814   2.862  -7.510
  220   HE21  GLN  24          1HE2      GLN  24   0.010   4.185  -7.536
  221   HE22  GLN  24          2HE2      GLN  24  -0.921   4.448  -8.971
  222    H    GLU  25           H        GLU  25   6.248   3.907  -9.166
  223    HA   GLU  25           HA       GLU  25   6.105   1.337 -10.240
  224    HB2  GLU  25           1HB      GLU  25   7.359   3.190 -11.260
  225    HB3  GLU  25           2HB      GLU  25   8.522   3.123  -9.943
  226    HG2  GLU  25           1HG      GLU  25   9.188   0.886 -10.626
  227    HG3  GLU  25           2HG      GLU  25   8.002   0.925 -11.931
  228    H    GLU  26           H        GLU  26   8.375   2.572  -7.794
  229    HA   GLU  26           HA       GLU  26   9.507   0.090  -7.102
  230    HB2  GLU  26           1HB      GLU  26   9.237   2.654  -5.527
  231    HB3  GLU  26           2HB      GLU  26  10.227   1.293  -5.024
  232    HG2  GLU  26           1HG      GLU  26  10.603   2.833  -7.579
  233    HG3  GLU  26           2HG      GLU  26  11.502   3.116  -6.090
  234    H    LEU  27           H        LEU  27   6.787   1.919  -5.840
  235    HA   LEU  27           HA       LEU  27   6.279   0.398  -3.555
  236    HB2  LEU  27           1HB      LEU  27   5.412   2.672  -4.060
  237    HB3  LEU  27           2HB      LEU  27   4.327   1.963  -5.236
  238    HG   LEU  27           HG       LEU  27   3.187   0.718  -3.442
  239   HD11  LEU  27          1HD1      LEU  27   3.645   1.456  -1.091
  240   HD12  LEU  27          2HD1      LEU  27   5.144   2.176  -1.679
  241   HD13  LEU  27          3HD1      LEU  27   4.888   0.434  -1.809
  242   HD21  LEU  27          3HD2      LEU  27   2.097   2.653  -2.408
  243   HD22  LEU  27          1HD2      LEU  27   2.349   2.901  -4.137
  244   HD23  LEU  27          2HD2      LEU  27   3.410   3.689  -2.969
  245    H    HIS  28           H        HIS  28   5.117   0.031  -6.889
  246    HA   HIS  28           HA       HIS  28   3.163  -1.923  -6.237
  247    HB2  HIS  28           1HB      HIS  28   3.170  -0.557  -8.347
  248    HB3  HIS  28           2HB      HIS  28   4.495  -1.564  -8.928
  249    HD1  HIS  28           HD1      HIS  28   3.854  -4.251  -8.979
  250    HD2  HIS  28           HD2      HIS  28   0.723  -1.524  -8.933
  251    HE1  HIS  28           HE1      HIS  28   1.788  -5.545  -9.602
  252    H    GLN  29           H        GLN  29   6.515  -2.174  -7.421
  253    HA   GLN  29           HA       GLN  29   6.603  -4.987  -7.530
  254    HB2  GLN  29           1HB      GLN  29   8.677  -2.851  -7.263
  255    HB3  GLN  29           2HB      GLN  29   9.144  -4.521  -6.971
  256    HG2  GLN  29           1HG      GLN  29   7.918  -3.430  -9.495
  257    HG3  GLN  29           2HG      GLN  29   9.605  -3.890  -9.262
  258   HE21  GLN  29          1HE2      GLN  29   6.375  -5.002  -9.769
  259   HE22  GLN  29          2HE2      GLN  29   6.764  -6.673 -10.028
  260    H    TYR  30           H        TYR  30   7.008  -2.705  -4.930
  261    HA   TYR  30           HA       TYR  30   7.876  -4.562  -2.967
  262    HB2  TYR  30           1HB      TYR  30   8.011  -1.975  -2.981
  263    HB3  TYR  30           2HB      TYR  30   6.358  -2.028  -2.382
  264    HD1  TYR  30           HD1      TYR  30   9.436  -3.993  -1.594
  265    HD2  TYR  30           HD2      TYR  30   6.307  -1.511  -0.135
  266    HE1  TYR  30           HE1      TYR  30  10.313  -4.239   0.686
  267    HE2  TYR  30           HE2      TYR  30   7.172  -1.759   2.154
  268    HH   TYR  30           HH       TYR  30  10.257  -3.165   2.806
  269    H    ALA  31           H        ALA  31   4.794  -3.737  -4.327
  270    HA   ALA  31           HA       ALA  31   3.161  -4.575  -2.143
  271    HB1  ALA  31           3HB      ALA  31   1.323  -4.473  -3.772
  272    HB2  ALA  31           1HB      ALA  31   2.494  -4.278  -5.074
  273    HB3  ALA  31           2HB      ALA  31   2.333  -3.029  -3.838
  274    H    GLN  32           H        GLN  32   3.944  -6.037  -5.276
  275    HA   GLN  32           HA       GLN  32   2.633  -8.481  -4.821
  276    HB2  GLN  32           1HB      GLN  32   3.264  -7.625  -7.038
  277    HB3  GLN  32           2HB      GLN  32   4.958  -7.837  -6.645
  278    HG2  GLN  32           1HG      GLN  32   3.225 -10.225  -6.474
  279    HG3  GLN  32           2HG      GLN  32   3.568  -9.584  -8.079
  280   HE21  GLN  32          1HE2      GLN  32   5.718  -9.538  -8.815
  281   HE22  GLN  32          2HE2      GLN  32   6.931 -10.564  -8.109
  282    H    ARG  33           H        ARG  33   5.919  -7.410  -4.130
  283    HA   ARG  33           HA       ARG  33   6.964  -9.946  -3.456
  284    HB2  ARG  33           1HB      ARG  33   8.313  -7.911  -3.967
  285    HB3  ARG  33           2HB      ARG  33   7.872  -7.284  -2.385
  286    HG2  ARG  33           1HG      ARG  33  10.027  -8.243  -2.174
  287    HG3  ARG  33           2HG      ARG  33   8.888  -9.341  -1.394
  288    HD2  ARG  33           1HD      ARG  33   9.777  -9.714  -4.240
  289    HD3  ARG  33           2HD      ARG  33  10.671 -10.393  -2.883
  290    HE   ARG  33           HE       ARG  33   8.476 -11.537  -2.319
  291   HH11  ARG  33          1HH1      ARG  33   9.388 -10.688  -5.596
  292   HH12  ARG  33          2HH1      ARG  33   8.450 -11.957  -6.324
  293   HH21  ARG  33          1HH2      ARG  33   7.242 -13.215  -3.268
  294   HH22  ARG  33          2HH2      ARG  33   7.254 -13.419  -4.995
  295    H    LEU  34           H        LEU  34   5.367  -7.452  -1.498
  296    HA   LEU  34           HA       LEU  34   5.788  -8.934   0.933
  297    HB2  LEU  34           1HB      LEU  34   4.032  -6.558   0.352
  298    HB3  LEU  34           2HB      LEU  34   4.297  -7.244   1.939
  299    HG   LEU  34           HG       LEU  34   6.385  -5.921   0.212
  300   HD11  LEU  34          1HD1      LEU  34   6.399  -4.224   1.964
  301   HD12  LEU  34          2HD1      LEU  34   5.119  -5.084   2.819
  302   HD13  LEU  34          3HD1      LEU  34   4.796  -4.370   1.239
  303   HD21  LEU  34          3HD2      LEU  34   7.343  -7.764   1.489
  304   HD22  LEU  34          1HD2      LEU  34   6.624  -7.123   2.966
  305   HD23  LEU  34          2HD2      LEU  34   7.873  -6.206   2.125
  306    H    GLY  35           H        GLY  35   3.245  -8.665  -1.455
  307    HA2  GLY  35           1HA      GLY  35   1.911 -10.754  -1.608
  308    HA3  GLY  35           2HA      GLY  35   1.707 -10.636   0.138
  309    H    LEU  36           H        LEU  36   1.479  -7.987  -2.208
  310    HA   LEU  36           HA       LEU  36  -1.341  -7.697  -1.444
  311    HB2  LEU  36           1HB      LEU  36   0.388  -5.752  -2.975
  312    HB3  LEU  36           2HB      LEU  36  -1.248  -5.480  -2.404
  313    HG   LEU  36           HG       LEU  36   1.187  -5.844  -0.667
  314   HD11  LEU  36          1HD1      LEU  36  -0.509  -3.411  -1.198
  315   HD12  LEU  36          2HD1      LEU  36   1.119  -3.691  -1.815
  316   HD13  LEU  36          3HD1      LEU  36   0.852  -3.508  -0.083
  317   HD21  LEU  36          3HD2      LEU  36  -1.686  -5.293   0.072
  318   HD22  LEU  36          1HD2      LEU  36  -0.320  -5.285   1.187
  319   HD23  LEU  36          2HD2      LEU  36  -0.795  -6.781   0.385
  320    H    ASN  37           H        ASN  37  -2.893  -8.182  -2.819
  321    HA   ASN  37           HA       ASN  37  -2.264  -8.716  -5.596
  322    HB2  ASN  37           1HB      ASN  37  -4.526  -9.480  -5.839
  323    HB3  ASN  37           2HB      ASN  37  -3.908 -10.137  -4.334
  324   HD21  ASN  37          1HD2      ASN  37  -4.274  -7.389  -3.070
  325   HD22  ASN  37          2HD2      ASN  37  -5.963  -7.362  -2.696
  326    H    GLU  38           H        GLU  38  -3.830  -7.672  -7.249
  327    HA   GLU  38           HA       GLU  38  -3.104  -4.966  -7.326
  328    HB2  GLU  38           1HB      GLU  38  -5.156  -6.483  -8.944
  329    HB3  GLU  38           2HB      GLU  38  -4.539  -4.885  -9.349
  330    HG2  GLU  38           1HG      GLU  38  -2.484  -5.676  -9.963
  331    HG3  GLU  38           2HG      GLU  38  -2.592  -7.095  -8.925
  332    H    GLU  39           H        GLU  39  -6.041  -6.539  -6.261
  333    HA   GLU  39           HA       GLU  39  -7.732  -4.316  -6.074
  334    HB2  GLU  39           1HB      GLU  39  -8.529  -6.603  -5.812
  335    HB3  GLU  39           2HB      GLU  39  -7.595  -6.765  -4.327
  336    HG2  GLU  39           1HG      GLU  39  -9.927  -6.381  -3.815
  337    HG3  GLU  39           2HG      GLU  39  -8.953  -5.005  -3.292
  338    H    ALA  40           H        ALA  40  -5.573  -5.749  -3.633
  339    HA   ALA  40           HA       ALA  40  -6.254  -3.992  -1.539
  340    HB1  ALA  40           3HB      ALA  40  -3.682  -5.518  -1.939
  341    HB2  ALA  40           1HB      ALA  40  -5.132  -6.124  -1.138
  342    HB3  ALA  40           2HB      ALA  40  -4.228  -4.787  -0.430
  343    H    ILE  41           H        ILE  41  -4.109  -3.722  -4.222
  344    HA   ILE  41           HA       ILE  41  -2.560  -1.548  -3.239
  345    HB   ILE  41           HB       ILE  41  -3.059  -2.288  -6.127
  346   HG12  ILE  41          1HG1      ILE  41  -0.978  -3.333  -4.188
  347   HG13  ILE  41          2HG1      ILE  41  -2.324  -4.254  -4.861
  348   HG21  ILE  41          1HG2      ILE  41  -2.002  -0.113  -5.814
  349   HG22  ILE  41          2HG2      ILE  41  -0.859  -1.267  -6.503
  350   HG23  ILE  41          3HG2      ILE  41  -0.766  -0.847  -4.792
  351   HD11  ILE  41          3HD1      ILE  41  -0.029  -3.098  -6.436
  352   HD12  ILE  41          1HD1      ILE  41  -1.355  -4.069  -7.080
  353   HD13  ILE  41          2HD1      ILE  41  -0.207  -4.782  -5.947
  354    H    ARG  42           H        ARG  42  -5.222  -1.784  -5.599
  355    HA   ARG  42           HA       ARG  42  -5.779   0.940  -5.878
  356    HB2  ARG  42           1HB      ARG  42  -6.821  -0.691  -7.339
  357    HB3  ARG  42           2HB      ARG  42  -7.619  -1.460  -5.979
  358    HG2  ARG  42           1HG      ARG  42  -8.433   1.211  -5.906
  359    HG3  ARG  42           2HG      ARG  42  -8.490   0.735  -7.606
  360    HD2  ARG  42           1HD      ARG  42 -10.214  -0.663  -7.276
  361    HD3  ARG  42           2HD      ARG  42  -9.537  -1.279  -5.769
  362    HE   ARG  42           HE       ARG  42 -11.035   1.266  -5.981
  363   HH11  ARG  42          1HH1      ARG  42 -10.326  -1.764  -4.339
  364   HH12  ARG  42          2HH1      ARG  42 -11.239  -1.341  -2.922
  365   HH21  ARG  42          1HH2      ARG  42 -12.249   1.801  -4.104
  366   HH22  ARG  42          2HH2      ARG  42 -12.297   0.683  -2.762
  367    H    GLN  43           H        GLN  43  -6.891  -1.421  -3.535
  368    HA   GLN  43           HA       GLN  43  -8.843  -0.028  -2.185
  369    HB2  GLN  43           1HB      GLN  43  -8.299  -2.411  -1.897
  370    HB3  GLN  43           2HB      GLN  43  -6.812  -1.977  -1.075
  371    HG2  GLN  43           1HG      GLN  43  -9.411  -1.019   0.017
  372    HG3  GLN  43           2HG      GLN  43  -8.933  -2.698   0.256
  373   HE21  GLN  43          1HE2      GLN  43  -6.061  -1.932   0.335
  374   HE22  GLN  43          2HE2      GLN  43  -5.826  -1.247   1.906
  375    H    PHE  44           H        PHE  44  -5.339   0.224  -1.818
  376    HA   PHE  44           HA       PHE  44  -5.610   1.840   0.562
  377    HB2  PHE  44           1HB      PHE  44  -3.746   0.159   0.173
  378    HB3  PHE  44           2HB      PHE  44  -3.071   1.304  -0.982
  379    HD1  PHE  44           HD1      PHE  44  -4.019   0.853   2.557
  380    HD2  PHE  44           HD2      PHE  44  -1.790   3.141  -0.257
  381    HE1  PHE  44           HE1      PHE  44  -2.908   2.035   4.405
  382    HE2  PHE  44           HE2      PHE  44  -0.676   4.326   1.586
  383    HZ   PHE  44           HZ       PHE  44  -1.241   3.780   3.920
  384    H    PHE  45           H        PHE  45  -4.977   2.321  -2.857
  385    HA   PHE  45           HA       PHE  45  -4.158   5.060  -2.516
  386    HB2  PHE  45           1HB      PHE  45  -4.636   3.295  -4.884
  387    HB3  PHE  45           2HB      PHE  45  -4.473   5.033  -5.097
  388    HD1  PHE  45           HD1      PHE  45  -2.354   6.148  -4.624
  389    HD2  PHE  45           HD2      PHE  45  -2.743   1.920  -4.328
  390    HE1  PHE  45           HE1      PHE  45   0.091   5.924  -4.676
  391    HE2  PHE  45           HE2      PHE  45  -0.296   1.692  -4.374
  392    HZ   PHE  45           HZ       PHE  45   1.127   3.689  -4.551
  393    H    GLU  46           H        GLU  46  -7.087   3.404  -3.569
  394    HA   GLU  46           HA       GLU  46  -8.328   5.771  -4.557
  395    HB2  GLU  46           1HB      GLU  46  -8.828   3.421  -5.292
  396    HB3  GLU  46           2HB      GLU  46  -9.680   3.197  -3.769
  397    HG2  GLU  46           1HG      GLU  46 -11.143   5.103  -4.374
  398    HG3  GLU  46           2HG      GLU  46 -10.342   5.153  -5.945
  399    H    GLU  47           H        GLU  47  -9.025   3.755  -1.708
  400    HA   GLU  47           HA       GLU  47 -10.922   5.717  -0.743
  401    HB2  GLU  47           1HB      GLU  47 -10.038   3.048   0.364
  402    HB3  GLU  47           2HB      GLU  47 -11.300   4.046   1.071
  403    HG2  GLU  47           1HG      GLU  47 -12.657   3.828  -0.895
  404    HG3  GLU  47           2HG      GLU  47 -11.366   2.978  -1.739
  405    H    PHE  48           H        PHE  48  -7.992   6.300  -0.842
  406    HA   PHE  48           HA       PHE  48  -7.124   6.361   1.914
  407    HB2  PHE  48           1HB      PHE  48  -5.661   5.996  -0.129
  408    HB3  PHE  48           2HB      PHE  48  -5.824   7.718  -0.442
  409    HD1  PHE  48           HD1      PHE  48  -4.670   5.270   2.089
  410    HD2  PHE  48           HD2      PHE  48  -4.430   9.256   0.614
  411    HE1  PHE  48           HE1      PHE  48  -2.788   5.718   3.609
  412    HE2  PHE  48           HE2      PHE  48  -2.546   9.709   2.131
  413    HZ   PHE  48           HZ       PHE  48  -1.724   7.939   3.630
  414    H    GLU  49           H        GLU  49  -8.518   8.542  -0.419
  415    HA   GLU  49           HA       GLU  49  -7.984  11.020   0.688
  416    HB2  GLU  49           1HB      GLU  49 -10.078  11.755  -0.422
  417    HB3  GLU  49           2HB      GLU  49  -9.050  10.782  -1.468
  418    HG2  GLU  49           1HG      GLU  49 -10.470   8.854  -1.156
  419    HG3  GLU  49           2HG      GLU  49 -11.436   9.715   0.042
  420    H    GLN  50           H        GLN  50 -10.155   8.568   1.759
  421    HA   GLN  50           HA       GLN  50 -11.483  10.384   3.623
  422    HB2  GLN  50           1HB      GLN  50 -13.164   8.537   3.789
  423    HB3  GLN  50           2HB      GLN  50 -12.997   9.245   2.187
  424    HG2  GLN  50           1HG      GLN  50 -12.661   7.249   1.337
  425    HG3  GLN  50           2HG      GLN  50 -11.197   7.072   2.306
  426   HE21  GLN  50          1HE2      GLN  50 -12.640   7.127   4.842
  427   HE22  GLN  50          2HE2      GLN  50 -13.415   5.581   4.974
  428    H    ARG  51           H        ARG  51  -8.790   8.916   3.860
  429    HA   ARG  51           HA       ARG  51  -9.384   7.648   6.447
  430    HB2  ARG  51           1HB      ARG  51  -7.357   6.816   4.375
  431    HB3  ARG  51           2HB      ARG  51  -7.371   6.201   6.025
  432    HG2  ARG  51           1HG      ARG  51  -9.619   5.330   5.687
  433    HG3  ARG  51           2HG      ARG  51  -9.612   5.958   4.040
  434    HD2  ARG  51           1HD      ARG  51  -7.723   4.500   3.497
  435    HD3  ARG  51           2HD      ARG  51  -7.747   3.862   5.143
  436    HE   ARG  51           HE       ARG  51 -10.297   3.533   4.109
  437   HH11  ARG  51          1HH1      ARG  51  -7.073   2.370   3.440
  438   HH12  ARG  51          2HH1      ARG  51  -7.621   0.863   2.776
  439   HH21  ARG  51          1HH2      ARG  51 -11.028   1.569   3.237
  440   HH22  ARG  51          2HH2      ARG  51  -9.868   0.415   2.643
  441    H    LYS  52           H        LYS  52  -8.893  10.348   6.154
  442    HA   LYS  52           HA       LYS  52  -7.785  12.009   7.225
  443    HB2  LYS  52           1HB      LYS  52  -6.146   9.932   8.673
  444    HB3  LYS  52           2HB      LYS  52  -6.648  11.514   9.246
  445    HG2  LYS  52           1HG      LYS  52  -8.607   9.299   8.706
  446    HG3  LYS  52           2HG      LYS  52  -7.804   9.499  10.259
  447    HD2  LYS  52           1HD      LYS  52  -9.444  11.667   8.953
  448    HD3  LYS  52           2HD      LYS  52 -10.103  10.500  10.094
  449    HE2  LYS  52           1HE      LYS  52  -7.814  12.371  10.667
  450    HE3  LYS  52           2HE      LYS  52  -9.486  12.636  11.158
  451    HZ1  LYS  52           3HZ      LYS  52  -8.205  11.692  12.962
  452    HZ2  LYS  52           1HZ      LYS  52  -7.762  10.365  12.004
  453    HZ3  LYS  52           2HZ      LYS  52  -9.378  10.585  12.453
  Start of MODEL   26
    1    H1   MET   1           1H       MET   1  -6.847  -8.959   5.528
    2    H2   MET   1           2H       MET   1  -7.117 -10.405   4.683
    3    H3   MET   1           3H       MET   1  -6.503 -10.447   6.260
    4    HA   MET   1           HA       MET   1  -8.739 -11.025   6.468
    5    HB2  MET   1           1HB      MET   1  -8.027  -9.409   8.154
    6    HB3  MET   1           2HB      MET   1  -8.393  -8.075   7.069
    7    HG2  MET   1           1HG      MET   1 -10.776  -8.784   7.103
    8    HG3  MET   1           2HG      MET   1 -10.353  -9.975   8.330
    9    HE1  MET   1           3HE      MET   1  -8.941  -6.322   7.865
   10    HE2  MET   1           1HE      MET   1 -10.008  -5.409   8.933
   11    HE3  MET   1           2HE      MET   1 -10.651  -6.156   7.470
   12    H    LYS   2           H        LYS   2  -8.605  -7.871   4.740
   13    HA   LYS   2           HA       LYS   2 -11.253  -8.515   3.722
   14    HB2  LYS   2           1HB      LYS   2 -11.038  -6.410   4.986
   15    HB3  LYS   2           2HB      LYS   2  -9.904  -5.833   3.770
   16    HG2  LYS   2           1HG      LYS   2 -11.614  -5.853   2.087
   17    HG3  LYS   2           2HG      LYS   2 -12.758  -6.605   3.200
   18    HD2  LYS   2           1HD      LYS   2 -11.514  -3.882   3.574
   19    HD3  LYS   2           2HD      LYS   2 -13.132  -4.179   2.935
   20    HE2  LYS   2           1HE      LYS   2 -12.179  -5.058   5.659
   21    HE3  LYS   2           2HE      LYS   2 -13.099  -3.585   5.353
   22    HZ1  LYS   2           3HZ      LYS   2 -14.573  -5.311   6.067
   23    HZ2  LYS   2           1HZ      LYS   2 -14.008  -6.375   4.872
   24    HZ3  LYS   2           2HZ      LYS   2 -14.887  -4.986   4.438
   25    H    GLN   3           H        GLN   3  -8.084  -7.808   2.702
   26    HA   GLN   3           HA       GLN   3  -8.582  -8.658   0.024
   27    HB2  GLN   3           1HB      GLN   3  -8.618  -5.769   0.627
   28    HB3  GLN   3           2HB      GLN   3  -7.595  -6.237  -0.725
   29    HG2  GLN   3           1HG      GLN   3  -9.477  -7.297  -1.816
   30    HG3  GLN   3           2HG      GLN   3 -10.512  -6.926  -0.439
   31   HE21  GLN   3          1HE2      GLN   3 -11.259  -4.857  -0.151
   32   HE22  GLN   3          2HE2      GLN   3 -11.141  -3.642  -1.376
   33    H    TRP   4           H        TRP   4  -6.365  -6.500   1.802
   34    HA   TRP   4           HA       TRP   4  -4.140  -7.959   0.597
   35    HB2  TRP   4           1HB      TRP   4  -2.889  -6.020   1.975
   36    HB3  TRP   4           2HB      TRP   4  -3.459  -5.823   0.329
   37    HD1  TRP   4           HD1      TRP   4  -4.774  -3.687  -0.039
   38    HE1  TRP   4           HE1      TRP   4  -6.156  -2.068   1.393
   39    HE3  TRP   4           HE3      TRP   4  -4.502  -6.134   4.436
   40    HZ2  TRP   4           HZ2      TRP   4  -7.011  -1.844   4.061
   41    HZ3  TRP   4           HZ3      TRP   4  -5.631  -5.142   6.385
   42    HH2  TRP   4           HH2      TRP   4  -6.857  -3.037   6.193
   43    H    SER   5           H        SER   5  -2.199  -8.172   2.029
   44    HA   SER   5           HA       SER   5  -2.843  -9.491   4.480
   45    HB2  SER   5           1HB      SER   5  -0.939 -10.254   3.154
   46    HB3  SER   5           2HB      SER   5  -0.183  -8.671   3.293
   47    HG   SER   5           HG       SER   5   0.757  -9.937   4.833
   48    H    GLU   6           H        GLU   6  -3.243  -8.448   6.338
   49    HA   GLU   6           HA       GLU   6  -3.095  -5.728   6.731
   50    HB2  GLU   6           1HB      GLU   6  -3.046  -7.943   8.695
   51    HB3  GLU   6           2HB      GLU   6  -3.115  -6.271   9.196
   52    HG2  GLU   6           1HG      GLU   6  -5.321  -7.261   9.219
   53    HG3  GLU   6           2HG      GLU   6  -5.224  -6.012   7.980
   54    H    ASN   7           H        ASN   7  -0.571  -8.064   6.965
   55    HA   ASN   7           HA       ASN   7   1.261  -6.546   8.522
   56    HB2  ASN   7           1HB      ASN   7   1.643  -8.807   6.560
   57    HB3  ASN   7           2HB      ASN   7   2.987  -8.064   7.412
   58   HD21  ASN   7          1HD2      ASN   7  -0.148  -8.499   8.896
   59   HD22  ASN   7          2HD2      ASN   7   0.335  -9.736  10.002
   60    H    VAL   8           H        VAL   8   0.305  -6.508   5.198
   61    HA   VAL   8           HA       VAL   8   2.609  -4.995   4.325
   62    HB   VAL   8           HB       VAL   8   0.059  -5.447   2.783
   63   HG11  VAL   8          1HG1      VAL   8   1.753  -5.258   0.867
   64   HG12  VAL   8          2HG1      VAL   8   2.832  -4.559   2.073
   65   HG13  VAL   8          3HG1      VAL   8   1.289  -3.785   1.715
   66   HG21  VAL   8          3HG2      VAL   8   2.518  -7.187   2.914
   67   HG22  VAL   8          1HG2      VAL   8   1.214  -7.362   1.739
   68   HG23  VAL   8          2HG2      VAL   8   0.896  -7.609   3.453
   69    H    GLU   9           H        GLU   9  -0.900  -4.404   4.644
   70    HA   GLU   9           HA       GLU   9  -1.074  -1.729   4.182
   71    HB2  GLU   9           1HB      GLU   9  -2.981  -3.145   4.813
   72    HB3  GLU   9           2HB      GLU   9  -2.372  -3.248   6.457
   73    HG2  GLU   9           1HG      GLU   9  -2.964  -0.566   5.308
   74    HG3  GLU   9           2HG      GLU   9  -4.302  -1.594   5.811
   75    H    GLU  10           H        GLU  10   0.010  -3.264   7.168
   76    HA   GLU  10           HA       GLU  10   0.570  -1.030   8.708
   77    HB2  GLU  10           1HB      GLU  10   0.683  -3.189   9.700
   78    HB3  GLU  10           2HB      GLU  10   1.876  -3.744   8.537
   79    HG2  GLU  10           1HG      GLU  10   3.404  -1.947   9.541
   80    HG3  GLU  10           2HG      GLU  10   2.242  -1.899  10.867
   81    H    LYS  11           H        LYS  11   2.956  -2.865   6.782
   82    HA   LYS  11           HA       LYS  11   4.970  -0.940   7.452
   83    HB2  LYS  11           1HB      LYS  11   5.308  -3.420   7.296
   84    HB3  LYS  11           2HB      LYS  11   5.197  -3.266   5.548
   85    HG2  LYS  11           1HG      LYS  11   7.165  -1.916   5.474
   86    HG3  LYS  11           2HG      LYS  11   7.219  -1.806   7.232
   87    HD2  LYS  11           1HD      LYS  11   7.419  -4.423   5.753
   88    HD3  LYS  11           2HD      LYS  11   8.828  -3.440   6.148
   89    HE2  LYS  11           1HE      LYS  11   8.676  -5.021   7.879
   90    HE3  LYS  11           2HE      LYS  11   8.037  -3.528   8.557
   91    HZ1  LYS  11           3HZ      LYS  11   6.448  -5.835   7.561
   92    HZ2  LYS  11           1HZ      LYS  11   5.788  -4.376   8.127
   93    HZ3  LYS  11           2HZ      LYS  11   6.658  -5.372   9.181
   94    H    LEU  12           H        LEU  12   2.963  -1.533   4.657
   95    HA   LEU  12           HA       LEU  12   4.573   0.011   2.856
   96    HB2  LEU  12           1HB      LEU  12   2.991  -1.710   2.078
   97    HB3  LEU  12           2HB      LEU  12   1.655  -0.740   2.667
   98    HG   LEU  12           HG       LEU  12   2.299   1.039   1.046
   99   HD11  LEU  12          1HD1      LEU  12   3.840   0.445  -0.768
  100   HD12  LEU  12          2HD1      LEU  12   4.219  -1.064   0.060
  101   HD13  LEU  12          3HD1      LEU  12   4.649   0.478   0.797
  102   HD21  LEU  12          3HD2      LEU  12   0.564  -0.659   0.571
  103   HD22  LEU  12          1HD2      LEU  12   1.792  -1.655  -0.206
  104   HD23  LEU  12          2HD2      LEU  12   1.377  -0.077  -0.878
  105    H    LYS  13           H        LYS  13   1.783   0.626   4.912
  106    HA   LYS  13           HA       LYS  13   1.307   3.301   4.192
  107    HB2  LYS  13           1HB      LYS  13  -0.278   2.093   5.529
  108    HB3  LYS  13           2HB      LYS  13   0.919   1.797   6.776
  109    HG2  LYS  13           1HG      LYS  13   0.962   4.226   7.250
  110    HG3  LYS  13           2HG      LYS  13  -0.342   4.436   6.074
  111    HD2  LYS  13           1HD      LYS  13  -1.159   4.261   8.409
  112    HD3  LYS  13           2HD      LYS  13  -1.794   2.996   7.355
  113    HE2  LYS  13           1HE      LYS  13   0.133   1.557   8.189
  114    HE3  LYS  13           2HE      LYS  13   0.370   2.781   9.435
  115    HZ1  LYS  13           3HZ      LYS  13  -0.995   1.015  10.272
  116    HZ2  LYS  13           1HZ      LYS  13  -2.084   1.169   8.980
  117    HZ3  LYS  13           2HZ      LYS  13  -1.937   2.413  10.133
  118    H    GLU  14           H        GLU  14   3.476   1.822   6.545
  119    HA   GLU  14           HA       GLU  14   4.629   4.076   7.657
  120    HB2  GLU  14           1HB      GLU  14   6.067   1.539   6.857
  121    HB3  GLU  14           2HB      GLU  14   6.618   2.710   8.045
  122    HG2  GLU  14           1HG      GLU  14   4.133   1.028   8.262
  123    HG3  GLU  14           2HG      GLU  14   5.663   0.714   9.077
  124    H    PHE  15           H        PHE  15   5.536   2.367   4.673
  125    HA   PHE  15           HA       PHE  15   7.607   4.071   3.903
  126    HB2  PHE  15           1HB      PHE  15   5.876   2.097   2.534
  127    HB3  PHE  15           2HB      PHE  15   6.632   3.299   1.497
  128    HD1  PHE  15           HD1      PHE  15   8.409   2.339   4.498
  129    HD2  PHE  15           HD2      PHE  15   7.822   1.437   0.372
  130    HE1  PHE  15           HE1      PHE  15  10.495   1.037   4.489
  131    HE2  PHE  15           HE2      PHE  15   9.914   0.141   0.362
  132    HZ   PHE  15           HZ       PHE  15  11.251  -0.063   2.421
  133    H    VAL  16           H        VAL  16   4.217   4.113   2.810
  134    HA   VAL  16           HA       VAL  16   4.574   6.231   1.006
  135    HB   VAL  16           HB       VAL  16   1.990   5.363   2.304
  136   HG11  VAL  16          1HG1      VAL  16   1.819   7.512   1.163
  137   HG12  VAL  16          2HG1      VAL  16   0.937   6.260   0.287
  138   HG13  VAL  16          3HG1      VAL  16   2.514   6.800  -0.294
  139   HG21  VAL  16          3HG2      VAL  16   1.712   3.915   0.353
  140   HG22  VAL  16          1HG2      VAL  16   3.152   3.480   1.279
  141   HG23  VAL  16          2HG2      VAL  16   3.310   4.388  -0.227
  142    H    LYS  17           H        LYS  17   3.593   6.288   4.415
  143    HA   LYS  17           HA       LYS  17   3.104   9.177   4.136
  144    HB2  LYS  17           1HB      LYS  17   2.118   7.181   6.164
  145    HB3  LYS  17           2HB      LYS  17   1.906   8.916   6.343
  146    HG2  LYS  17           1HG      LYS  17   0.885   7.332   4.002
  147    HG3  LYS  17           2HG      LYS  17  -0.069   7.708   5.438
  148    HD2  LYS  17           1HD      LYS  17   1.184   9.728   3.576
  149    HD3  LYS  17           2HD      LYS  17  -0.520   9.283   3.610
  150    HE2  LYS  17           1HE      LYS  17   1.000  10.512   5.910
  151    HE3  LYS  17           2HE      LYS  17  -0.047  11.398   4.802
  152    HZ1  LYS  17           3HZ      LYS  17  -1.217  10.866   6.835
  153    HZ2  LYS  17           1HZ      LYS  17  -0.896   9.212   6.634
  154    HZ3  LYS  17           2HZ      LYS  17  -1.906  10.023   5.536
  155    H    ARG  18           H        ARG  18   5.361   6.996   5.466
  156    HA   ARG  18           HA       ARG  18   6.182   9.015   7.458
  157    HB2  ARG  18           1HB      ARG  18   6.509   6.069   7.944
  158    HB3  ARG  18           2HB      ARG  18   6.460   7.387   9.116
  159    HG2  ARG  18           1HG      ARG  18   4.077   7.707   8.649
  160    HG3  ARG  18           2HG      ARG  18   4.131   6.374   7.495
  161    HD2  ARG  18           1HD      ARG  18   3.305   5.348   9.396
  162    HD3  ARG  18           2HD      ARG  18   5.033   5.008   9.505
  163    HE   ARG  18           HE       ARG  18   4.771   7.320  10.894
  164   HH11  ARG  18          1HH1      ARG  18   3.252   4.157  11.093
  165   HH12  ARG  18          2HH1      ARG  18   2.831   4.338  12.777
  166   HH21  ARG  18          1HH2      ARG  18   4.249   7.549  13.067
  167   HH22  ARG  18          2HH2      ARG  18   3.416   6.277  13.913
  168    H    HIS  19           H        HIS  19   7.169   6.643   5.101
  169    HA   HIS  19           HA       HIS  19   9.981   7.167   5.763
  170    HB2  HIS  19           1HB      HIS  19   8.656   4.832   4.399
  171    HB3  HIS  19           2HB      HIS  19  10.395   5.088   4.322
  172    HD1  HIS  19           HD1      HIS  19  11.641   3.824   6.105
  173    HD2  HIS  19           HD2      HIS  19   7.763   4.773   7.260
  174    HE1  HIS  19           HE1      HIS  19  11.300   2.779   8.382
  175    H    GLN  20           H        GLN  20   9.355   9.247   4.583
  176    HA   GLN  20           HA       GLN  20   9.670  10.666   2.872
  177    HB2  GLN  20           1HB      GLN  20  11.652  10.395   1.566
  178    HB3  GLN  20           2HB      GLN  20  11.958   9.800   3.188
  179    HG2  GLN  20           1HG      GLN  20  11.428   7.493   2.221
  180    HG3  GLN  20           2HG      GLN  20  11.643   8.255   0.648
  181   HE21  GLN  20          1HE2      GLN  20  13.680   9.018   0.057
  182   HE22  GLN  20          2HE2      GLN  20  15.118   8.508   0.872
  183    H    ARG  21           H        ARG  21   7.782   8.294   2.396
  184    HA   ARG  21           HA       ARG  21   6.242   7.741   0.843
  185    HB2  ARG  21           1HB      ARG  21   7.336  10.125  -0.646
  186    HB3  ARG  21           2HB      ARG  21   5.881   9.252  -1.096
  187    HG2  ARG  21           1HG      ARG  21   5.018   9.797   1.193
  188    HG3  ARG  21           2HG      ARG  21   6.385  10.892   1.361
  189    HD2  ARG  21           1HD      ARG  21   5.637  12.212  -0.483
  190    HD3  ARG  21           2HD      ARG  21   4.387  11.032  -0.888
  191    HE   ARG  21           HE       ARG  21   4.385  12.734   1.525
  192   HH11  ARG  21          1HH1      ARG  21   2.700  10.909  -0.946
  193   HH12  ARG  21          2HH1      ARG  21   1.120  11.239  -0.290
  194   HH21  ARG  21          1HH2      ARG  21   2.328  13.178   2.383
  195   HH22  ARG  21          2HH2      ARG  21   0.907  12.541   1.601
  196    H    ILE  22           H        ILE  22   6.030   7.218  -1.652
  197    HA   ILE  22           HA       ILE  22   8.458   6.304  -2.877
  198    HB   ILE  22           HB       ILE  22   8.258   4.610  -1.145
  199   HG12  ILE  22          1HG1      ILE  22   7.421   3.423  -3.797
  200   HG13  ILE  22          2HG1      ILE  22   9.056   3.962  -3.422
  201   HG21  ILE  22          1HG2      ILE  22   6.326   3.065  -1.100
  202   HG22  ILE  22          2HG2      ILE  22   5.504   4.116  -2.253
  203   HG23  ILE  22          3HG2      ILE  22   5.916   4.719  -0.648
  204   HD11  ILE  22          3HD1      ILE  22   8.893   1.575  -3.167
  205   HD12  ILE  22          1HD1      ILE  22   7.541   1.756  -2.049
  206   HD13  ILE  22          2HD1      ILE  22   9.148   2.323  -1.590
  207    H    THR  23           H        THR  23   8.169   5.974  -5.038
  208    HA   THR  23           HA       THR  23   5.680   6.749  -6.175
  209    HB   THR  23           HB       THR  23   6.992   5.813  -8.318
  210    HG1  THR  23           HG1      THR  23   9.297   6.674  -7.403
  211   HG21  THR  23          3HG2      THR  23   6.273   8.117  -7.962
  212   HG22  THR  23          1HG2      THR  23   7.932   8.072  -8.556
  213   HG23  THR  23          2HG2      THR  23   7.615   8.374  -6.848
  214    H    GLN  24           H        GLN  24   4.399   5.526  -7.686
  215    HA   GLN  24           HA       GLN  24   3.393   3.261  -6.408
  216    HB2  GLN  24           1HB      GLN  24   2.046   4.769  -7.817
  217    HB3  GLN  24           2HB      GLN  24   2.878   4.162  -9.241
  218    HG2  GLN  24           1HG      GLN  24   2.010   1.907  -8.744
  219    HG3  GLN  24           2HG      GLN  24   1.108   2.587  -7.391
  220   HE21  GLN  24          1HE2      GLN  24  -0.857   1.982  -8.249
  221   HE22  GLN  24          2HE2      GLN  24  -1.561   2.775  -9.615
  222    H    GLU  25           H        GLU  25   5.455   3.501  -9.287
  223    HA   GLU  25           HA       GLU  25   5.219   0.807 -10.068
  224    HB2  GLU  25           1HB      GLU  25   6.170   2.637 -11.477
  225    HB3  GLU  25           2HB      GLU  25   7.622   2.589 -10.484
  226    HG2  GLU  25           1HG      GLU  25   7.989   0.262 -11.134
  227    HG3  GLU  25           2HG      GLU  25   6.544   0.320 -12.145
  228    H    GLU  26           H        GLU  26   7.763   2.396  -8.144
  229    HA   GLU  26           HA       GLU  26   9.181   0.026  -7.545
  230    HB2  GLU  26           1HB      GLU  26  10.114   2.319  -7.318
  231    HB3  GLU  26           2HB      GLU  26   9.048   2.595  -5.948
  232    HG2  GLU  26           1HG      GLU  26  10.166   0.843  -4.695
  233    HG3  GLU  26           2HG      GLU  26  11.196   0.488  -6.081
  234    H    LEU  27           H        LEU  27   6.595   1.770  -5.939
  235    HA   LEU  27           HA       LEU  27   6.383   0.291  -3.587
  236    HB2  LEU  27           1HB      LEU  27   5.217   2.376  -3.913
  237    HB3  LEU  27           2HB      LEU  27   4.310   1.715  -5.254
  238    HG   LEU  27           HG       LEU  27   3.966   0.449  -2.570
  239   HD11  LEU  27          1HD1      LEU  27   2.659   3.034  -3.408
  240   HD12  LEU  27          2HD1      LEU  27   3.854   2.858  -2.122
  241   HD13  LEU  27          3HD1      LEU  27   2.274   2.091  -1.968
  242   HD21  LEU  27          3HD2      LEU  27   2.138   1.039  -4.901
  243   HD22  LEU  27          1HD2      LEU  27   1.648   0.224  -3.419
  244   HD23  LEU  27          2HD2      LEU  27   2.835  -0.526  -4.486
  245    H    HIS  28           H        HIS  28   5.098  -0.320  -6.819
  246    HA   HIS  28           HA       HIS  28   3.330  -2.387  -6.100
  247    HB2  HIS  28           1HB      HIS  28   3.456  -1.064  -8.303
  248    HB3  HIS  28           2HB      HIS  28   4.690  -2.224  -8.780
  249    HD1  HIS  28           HD1      HIS  28   3.354  -4.824  -7.691
  250    HD2  HIS  28           HD2      HIS  28   1.367  -1.850  -9.809
  251    HE1  HIS  28           HE1      HIS  28   1.299  -5.909  -8.678
  252    H    GLN  29           H        GLN  29   6.737  -2.417  -7.039
  253    HA   GLN  29           HA       GLN  29   6.964  -5.249  -7.163
  254    HB2  GLN  29           1HB      GLN  29   9.123  -3.206  -6.600
  255    HB3  GLN  29           2HB      GLN  29   9.385  -4.877  -7.079
  256    HG2  GLN  29           1HG      GLN  29   8.075  -2.731  -8.734
  257    HG3  GLN  29           2HG      GLN  29   9.698  -3.377  -8.952
  258   HE21  GLN  29          1HE2      GLN  29   8.846  -6.129  -8.385
  259   HE22  GLN  29          2HE2      GLN  29   7.988  -6.657  -9.797
  260    H    TYR  30           H        TYR  30   7.432  -2.853  -4.650
  261    HA   TYR  30           HA       TYR  30   8.338  -4.624  -2.626
  262    HB2  TYR  30           1HB      TYR  30   8.673  -2.174  -2.585
  263    HB3  TYR  30           2HB      TYR  30   6.941  -1.943  -2.408
  264    HD1  TYR  30           HD1      TYR  30   9.543  -4.035  -0.714
  265    HD2  TYR  30           HD2      TYR  30   6.331  -1.277  -0.295
  266    HE1  TYR  30           HE1      TYR  30   9.804  -4.111   1.728
  267    HE2  TYR  30           HE2      TYR  30   6.580  -1.353   2.149
  268    HH   TYR  30           HH       TYR  30   9.284  -2.695   3.682
  269    H    ALA  31           H        ALA  31   5.209  -3.658  -3.817
  270    HA   ALA  31           HA       ALA  31   3.613  -4.514  -1.664
  271    HB1  ALA  31           3HB      ALA  31   1.772  -4.455  -3.283
  272    HB2  ALA  31           1HB      ALA  31   2.939  -4.324  -4.600
  273    HB3  ALA  31           2HB      ALA  31   2.798  -3.027  -3.413
  274    H    GLN  32           H        GLN  32   4.585  -6.146  -4.657
  275    HA   GLN  32           HA       GLN  32   3.102  -8.515  -4.104
  276    HB2  GLN  32           1HB      GLN  32   5.460  -8.266  -5.976
  277    HB3  GLN  32           2HB      GLN  32   4.189  -9.474  -6.030
  278    HG2  GLN  32           1HG      GLN  32   4.069  -6.585  -6.819
  279    HG3  GLN  32           2HG      GLN  32   3.705  -8.014  -7.771
  280   HE21  GLN  32          1HE2      GLN  32   1.706  -8.936  -7.662
  281   HE22  GLN  32          2HE2      GLN  32   0.378  -8.211  -6.822
  282    H    ARG  33           H        ARG  33   6.258  -7.346  -3.330
  283    HA   ARG  33           HA       ARG  33   7.510  -9.756  -2.592
  284    HB2  ARG  33           1HB      ARG  33   8.498  -7.384  -2.891
  285    HB3  ARG  33           2HB      ARG  33   7.972  -7.098  -1.243
  286    HG2  ARG  33           1HG      ARG  33   9.828  -9.330  -2.017
  287    HG3  ARG  33           2HG      ARG  33  10.376  -7.726  -1.542
  288    HD2  ARG  33           1HD      ARG  33   9.201  -8.013   0.617
  289    HD3  ARG  33           2HD      ARG  33   8.786  -9.657   0.135
  290    HE   ARG  33           HE       ARG  33  11.527  -9.460  -0.129
  291   HH11  ARG  33          1HH1      ARG  33   9.173  -9.218   2.464
  292   HH12  ARG  33          2HH1      ARG  33  10.295  -9.689   3.703
  293   HH21  ARG  33          1HH2      ARG  33  13.002 -10.083   1.491
  294   HH22  ARG  33          2HH2      ARG  33  12.479 -10.175   3.152
  295    H    LEU  34           H        LEU  34   5.522  -7.435  -0.789
  296    HA   LEU  34           HA       LEU  34   5.798  -8.899   1.665
  297    HB2  LEU  34           1HB      LEU  34   4.082  -6.543   0.926
  298    HB3  LEU  34           2HB      LEU  34   4.243  -7.194   2.539
  299    HG   LEU  34           HG       LEU  34   6.340  -5.792   0.906
  300   HD11  LEU  34          1HD1      LEU  34   4.761  -4.361   2.052
  301   HD12  LEU  34          2HD1      LEU  34   6.348  -4.253   2.814
  302   HD13  LEU  34          3HD1      LEU  34   5.066  -5.199   3.571
  303   HD21  LEU  34          3HD2      LEU  34   7.873  -6.182   2.789
  304   HD22  LEU  34          1HD2      LEU  34   7.410  -7.680   1.983
  305   HD23  LEU  34          2HD2      LEU  34   6.677  -7.249   3.528
  306    H    GLY  35           H        GLY  35   3.485  -8.784  -0.944
  307    HA2  GLY  35           1HA      GLY  35   2.162 -10.892  -1.096
  308    HA3  GLY  35           2HA      GLY  35   1.782 -10.652   0.607
  309    H    LEU  36           H        LEU  36   1.789  -8.180  -1.927
  310    HA   LEU  36           HA       LEU  36  -1.046  -7.725  -1.392
  311    HB2  LEU  36           1HB      LEU  36   1.220  -6.077  -2.154
  312    HB3  LEU  36           2HB      LEU  36  -0.170  -5.802  -3.183
  313    HG   LEU  36           HG       LEU  36  -0.284  -5.656  -0.175
  314   HD11  LEU  36          1HD1      LEU  36   1.248  -3.953  -1.015
  315   HD12  LEU  36          2HD1      LEU  36  -0.253  -3.228  -0.442
  316   HD13  LEU  36          3HD1      LEU  36   0.026  -3.420  -2.171
  317   HD21  LEU  36          3HD2      LEU  36  -2.442  -6.030  -1.107
  318   HD22  LEU  36          1HD2      LEU  36  -2.170  -4.821  -2.364
  319   HD23  LEU  36          2HD2      LEU  36  -2.333  -4.324  -0.681
  320    H    ASN  37           H        ASN  37  -2.582  -7.796  -2.954
  321    HA   ASN  37           HA       ASN  37  -1.790  -8.646  -5.648
  322    HB2  ASN  37           1HB      ASN  37  -4.305  -9.163  -5.859
  323    HB3  ASN  37           2HB      ASN  37  -3.338 -10.243  -4.865
  324   HD21  ASN  37          1HD2      ASN  37  -5.509  -7.452  -4.694
  325   HD22  ASN  37          2HD2      ASN  37  -6.145  -7.831  -3.130
  326    H    GLU  38           H        GLU  38  -2.617  -7.493  -7.432
  327    HA   GLU  38           HA       GLU  38  -2.488  -4.760  -7.281
  328    HB2  GLU  38           1HB      GLU  38  -3.947  -6.446  -9.312
  329    HB3  GLU  38           2HB      GLU  38  -3.645  -4.725  -9.508
  330    HG2  GLU  38           1HG      GLU  38  -1.279  -5.082  -9.530
  331    HG3  GLU  38           2HG      GLU  38  -1.484  -6.790  -9.147
  332    H    GLU  39           H        GLU  39  -5.393  -6.729  -7.120
  333    HA   GLU  39           HA       GLU  39  -7.402  -4.860  -7.125
  334    HB2  GLU  39           1HB      GLU  39  -7.947  -7.161  -7.042
  335    HB3  GLU  39           2HB      GLU  39  -7.014  -7.402  -5.569
  336    HG2  GLU  39           1HG      GLU  39  -8.650  -5.978  -4.368
  337    HG3  GLU  39           2HG      GLU  39  -9.612  -5.913  -5.847
  338    H    ALA  40           H        ALA  40  -5.502  -5.963  -4.352
  339    HA   ALA  40           HA       ALA  40  -6.876  -4.185  -2.545
  340    HB1  ALA  40           3HB      ALA  40  -4.554  -6.049  -2.105
  341    HB2  ALA  40           1HB      ALA  40  -6.252  -6.395  -1.784
  342    HB3  ALA  40           2HB      ALA  40  -5.409  -5.166  -0.841
  343    H    ILE  41           H        ILE  41  -4.061  -4.152  -4.501
  344    HA   ILE  41           HA       ILE  41  -2.582  -2.210  -3.104
  345    HB   ILE  41           HB       ILE  41  -2.669  -2.678  -6.089
  346   HG12  ILE  41          1HG1      ILE  41  -0.896  -3.834  -3.928
  347   HG13  ILE  41          2HG1      ILE  41  -2.071  -4.707  -4.913
  348   HG21  ILE  41          1HG2      ILE  41  -1.698  -0.512  -5.500
  349   HG22  ILE  41          2HG2      ILE  41  -0.478  -1.613  -6.143
  350   HG23  ILE  41          3HG2      ILE  41  -0.570  -1.313  -4.407
  351   HD11  ILE  41          3HD1      ILE  41  -0.718  -4.240  -6.901
  352   HD12  ILE  41          1HD1      ILE  41   0.183  -5.134  -5.677
  353   HD13  ILE  41          2HD1      ILE  41   0.461  -3.405  -5.893
  354    H    ARG  42           H        ARG  42  -4.867  -1.976  -5.789
  355    HA   ARG  42           HA       ARG  42  -5.197   0.788  -5.897
  356    HB2  ARG  42           1HB      ARG  42  -6.152  -0.501  -7.624
  357    HB3  ARG  42           2HB      ARG  42  -7.012  -1.537  -6.497
  358    HG2  ARG  42           1HG      ARG  42  -8.432   0.431  -5.909
  359    HG3  ARG  42           2HG      ARG  42  -7.629   1.308  -7.213
  360    HD2  ARG  42           1HD      ARG  42  -8.451  -0.191  -8.852
  361    HD3  ARG  42           2HD      ARG  42  -9.010  -1.326  -7.627
  362    HE   ARG  42           HE       ARG  42 -10.395   0.984  -7.125
  363   HH11  ARG  42          1HH1      ARG  42 -10.015  -1.200  -9.850
  364   HH12  ARG  42          2HH1      ARG  42 -11.598  -0.864 -10.499
  365   HH21  ARG  42          1HH2      ARG  42 -12.484   1.413  -7.982
  366   HH22  ARG  42          2HH2      ARG  42 -12.979   0.634  -9.458
  367    H    GLN  43           H        GLN  43  -6.855  -1.640  -3.916
  368    HA   GLN  43           HA       GLN  43  -8.710   0.018  -2.663
  369    HB2  GLN  43           1HB      GLN  43  -8.687  -2.471  -2.536
  370    HB3  GLN  43           2HB      GLN  43  -7.326  -2.369  -1.425
  371    HG2  GLN  43           1HG      GLN  43  -9.410  -2.723  -0.231
  372    HG3  GLN  43           2HG      GLN  43  -8.710  -1.155   0.172
  373   HE21  GLN  43          1HE2      GLN  43 -10.716  -0.342   0.840
  374   HE22  GLN  43          2HE2      GLN  43 -11.945   0.089  -0.310
  375    H    PHE  44           H        PHE  44  -5.396  -0.792  -1.708
  376    HA   PHE  44           HA       PHE  44  -5.401   0.524   0.774
  377    HB2  PHE  44           1HB      PHE  44  -3.686  -1.127   0.042
  378    HB3  PHE  44           2HB      PHE  44  -3.043   0.072  -1.075
  379    HD1  PHE  44           HD1      PHE  44  -3.788  -0.438   2.526
  380    HD2  PHE  44           HD2      PHE  44  -1.361   1.499  -0.380
  381    HE1  PHE  44           HE1      PHE  44  -2.352   0.441   4.318
  382    HE2  PHE  44           HE2      PHE  44   0.082   2.377   1.406
  383    HZ   PHE  44           HZ       PHE  44  -0.415   1.846   3.758
  384    H    PHE  45           H        PHE  45  -4.995   1.725  -2.487
  385    HA   PHE  45           HA       PHE  45  -4.005   4.297  -1.621
  386    HB2  PHE  45           1HB      PHE  45  -4.912   3.245  -4.303
  387    HB3  PHE  45           2HB      PHE  45  -4.445   4.924  -4.055
  388    HD1  PHE  45           HD1      PHE  45  -2.137   4.664  -2.279
  389    HD2  PHE  45           HD2      PHE  45  -3.278   2.341  -5.655
  390    HE1  PHE  45           HE1      PHE  45   0.220   4.093  -2.676
  391    HE2  PHE  45           HE2      PHE  45  -0.922   1.763  -6.057
  392    HZ   PHE  45           HZ       PHE  45   0.830   2.636  -4.564
  393    H    GLU  46           H        GLU  46  -7.053   3.056  -2.975
  394    HA   GLU  46           HA       GLU  46  -8.314   5.610  -2.961
  395    HB2  GLU  46           1HB      GLU  46 -10.306   4.466  -3.653
  396    HB3  GLU  46           2HB      GLU  46  -8.931   3.785  -4.489
  397    HG2  GLU  46           1HG      GLU  46  -8.953   1.839  -3.100
  398    HG3  GLU  46           2HG      GLU  46 -10.222   2.536  -2.093
  399    H    GLU  47           H        GLU  47  -8.380   2.860  -0.784
  400    HA   GLU  47           HA       GLU  47 -10.330   4.038   0.969
  401    HB2  GLU  47           1HB      GLU  47  -9.830   1.551   0.754
  402    HB3  GLU  47           2HB      GLU  47  -8.356   1.854   1.661
  403    HG2  GLU  47           1HG      GLU  47  -9.695   2.672   3.541
  404    HG3  GLU  47           2HG      GLU  47 -11.166   2.323   2.634
  405    H    PHE  48           H        PHE  48  -6.976   4.427   0.504
  406    HA   PHE  48           HA       PHE  48  -6.529   5.677   3.051
  407    HB2  PHE  48           1HB      PHE  48  -4.920   4.720   1.015
  408    HB3  PHE  48           2HB      PHE  48  -4.796   6.459   0.839
  409    HD1  PHE  48           HD1      PHE  48  -4.052   7.825   2.827
  410    HD2  PHE  48           HD2      PHE  48  -3.787   3.579   2.690
  411    HE1  PHE  48           HE1      PHE  48  -2.404   7.875   4.653
  412    HE2  PHE  48           HE2      PHE  48  -2.140   3.623   4.515
  413    HZ   PHE  48           HZ       PHE  48  -1.448   5.772   5.500
  414    H    GLU  49           H        GLU  49  -6.342   6.938  -0.264
  415    HA   GLU  49           HA       GLU  49  -6.608   9.020  -1.067
  416    HB2  GLU  49           1HB      GLU  49  -8.685   7.527  -1.272
  417    HB3  GLU  49           2HB      GLU  49  -9.394   8.609  -0.075
  418    HG2  GLU  49           1HG      GLU  49  -8.951  10.515  -1.529
  419    HG3  GLU  49           2HG      GLU  49  -8.273   9.411  -2.736
  420    H    GLN  50           H        GLN  50  -5.474   9.414   1.274
  421    HA   GLN  50           HA       GLN  50  -5.172  10.813   3.040
  422    HB2  GLN  50           1HB      GLN  50  -5.406  13.175   2.419
  423    HB3  GLN  50           2HB      GLN  50  -4.695  12.210   1.135
  424    HG2  GLN  50           1HG      GLN  50  -7.007  12.097   0.107
  425    HG3  GLN  50           2HG      GLN  50  -7.470  13.345   1.273
  426   HE21  GLN  50          1HE2      GLN  50  -4.315  13.149  -0.177
  427   HE22  GLN  50          2HE2      GLN  50  -4.448  14.573  -1.150
  428    H    ARG  51           H        ARG  51  -7.791   9.405   3.048
  429    HA   ARG  51           HA       ARG  51  -9.700  11.245   4.150
  430    HB2  ARG  51           1HB      ARG  51  -9.598   8.225   4.238
  431    HB3  ARG  51           2HB      ARG  51 -10.990   9.211   4.667
  432    HG2  ARG  51           1HG      ARG  51 -11.261   9.943   2.427
  433    HG3  ARG  51           2HG      ARG  51  -9.709   9.250   1.953
  434    HD2  ARG  51           1HD      ARG  51 -10.576   7.008   2.424
  435    HD3  ARG  51           2HD      ARG  51 -12.133   7.712   2.866
  436    HE   ARG  51           HE       ARG  51 -11.415   8.543   0.265
  437   HH11  ARG  51          1HH1      ARG  51 -12.469   5.699   2.000
  438   HH12  ARG  51          2HH1      ARG  51 -13.272   4.995   0.625
  439   HH21  ARG  51          1HH2      ARG  51 -12.446   7.646  -1.545
  440   HH22  ARG  51          2HH2      ARG  51 -13.248   6.112  -1.407
  441    H    LYS  52           H        LYS  52  -9.169  12.244   5.982
  442    HA   LYS  52           HA       LYS  52  -8.634  10.601   8.329
  443    HB2  LYS  52           1HB      LYS  52  -6.899  12.326   9.057
  444    HB3  LYS  52           2HB      LYS  52  -6.411  11.187   7.810
  445    HG2  LYS  52           1HG      LYS  52  -6.399  12.791   6.156
  446    HG3  LYS  52           2HG      LYS  52  -7.511  13.848   7.030
  447    HD2  LYS  52           1HD      LYS  52  -4.639  13.292   7.781
  448    HD3  LYS  52           2HD      LYS  52  -5.238  14.760   7.004
  449    HE2  LYS  52           1HE      LYS  52  -5.917  13.747   9.765
  450    HE3  LYS  52           2HE      LYS  52  -4.990  15.191   9.357
  451    HZ1  LYS  52           3HZ      LYS  52  -7.246  15.762   9.969
  452    HZ2  LYS  52           1HZ      LYS  52  -7.870  14.743   8.763
  453    HZ3  LYS  52           2HZ      LYS  52  -6.983  16.126   8.333
  Start of MODEL   27
    1    H1   MET   1           1H       MET   1 -11.595 -10.548   6.555
    2    H2   MET   1           2H       MET   1 -12.583  -9.291   6.002
    3    H3   MET   1           3H       MET   1 -10.919  -9.029   6.214
    4    HA   MET   1           HA       MET   1 -12.109 -10.929   4.267
    5    HB2  MET   1           1HB      MET   1 -12.626  -8.630   3.633
    6    HB3  MET   1           2HB      MET   1 -10.944  -8.163   3.861
    7    HG2  MET   1           1HG      MET   1 -11.290  -8.395   1.538
    8    HG3  MET   1           2HG      MET   1 -10.337  -9.785   2.060
    9    HE1  MET   1           3HE      MET   1 -14.174  -9.100   2.494
   10    HE2  MET   1           1HE      MET   1 -14.844  -9.935   1.091
   11    HE3  MET   1           2HE      MET   1 -13.841  -8.499   0.868
   12    H    LYS   2           H        LYS   2  -9.245  -8.932   4.933
   13    HA   LYS   2           HA       LYS   2  -7.022  -9.235   4.546
   14    HB2  LYS   2           1HB      LYS   2  -7.706 -12.152   4.946
   15    HB3  LYS   2           2HB      LYS   2  -6.072 -11.511   4.846
   16    HG2  LYS   2           1HG      LYS   2  -6.536 -10.127   6.844
   17    HG3  LYS   2           2HG      LYS   2  -8.120 -10.904   6.968
   18    HD2  LYS   2           1HD      LYS   2  -5.448 -12.302   7.067
   19    HD3  LYS   2           2HD      LYS   2  -6.501 -11.984   8.447
   20    HE2  LYS   2           1HE      LYS   2  -8.191 -13.435   7.583
   21    HE3  LYS   2           2HE      LYS   2  -7.341 -13.600   6.047
   22    HZ1  LYS   2           3HZ      LYS   2  -6.992 -15.545   7.383
   23    HZ2  LYS   2           1HZ      LYS   2  -6.426 -14.617   8.684
   24    HZ3  LYS   2           2HZ      LYS   2  -5.526 -14.701   7.253
   25    H    GLN   3           H        GLN   3  -7.766  -8.500   2.370
   26    HA   GLN   3           HA       GLN   3  -7.403 -10.525   0.292
   27    HB2  GLN   3           1HB      GLN   3  -9.142  -8.728   0.029
   28    HB3  GLN   3           2HB      GLN   3  -7.842  -7.549  -0.060
   29    HG2  GLN   3           1HG      GLN   3  -8.610  -8.098  -2.277
   30    HG3  GLN   3           2HG      GLN   3  -6.962  -8.685  -2.053
   31   HE21  GLN   3          1HE2      GLN   3  -7.086 -10.251  -3.624
   32   HE22  GLN   3          2HE2      GLN   3  -8.059 -11.670  -3.451
   33    H    TRP   4           H        TRP   4  -5.888  -7.642   1.617
   34    HA   TRP   4           HA       TRP   4  -3.379  -8.257   0.328
   35    HB2  TRP   4           1HB      TRP   4  -2.595  -6.527   2.177
   36    HB3  TRP   4           2HB      TRP   4  -3.408  -5.991   0.728
   37    HD1  TRP   4           HD1      TRP   4  -4.942  -4.053   1.300
   38    HE1  TRP   4           HE1      TRP   4  -6.571  -3.469   3.205
   39    HE3  TRP   4           HE3      TRP   4  -4.204  -8.118   4.241
   40    HZ2  TRP   4           HZ2      TRP   4  -7.439  -4.601   5.636
   41    HZ3  TRP   4           HZ3      TRP   4  -5.471  -8.313   6.354
   42    HH2  TRP   4           HH2      TRP   4  -7.056  -6.584   7.033
   43    H    SER   5           H        SER   5  -1.440  -8.488   1.930
   44    HA   SER   5           HA       SER   5  -2.114 -10.408   3.981
   45    HB2  SER   5           1HB      SER   5  -0.036 -10.687   2.657
   46    HB3  SER   5           2HB      SER   5   0.564  -9.161   3.304
   47    HG   SER   5           HG       SER   5   0.227 -11.638   4.575
   48    H    GLU   6           H        GLU   6  -2.842  -9.735   5.857
   49    HA   GLU   6           HA       GLU   6  -3.323  -7.315   6.835
   50    HB2  GLU   6           1HB      GLU   6  -3.949  -9.366   7.984
   51    HB3  GLU   6           2HB      GLU   6  -2.281  -9.626   8.477
   52    HG2  GLU   6           1HG      GLU   6  -2.382  -7.521   9.762
   53    HG3  GLU   6           2HG      GLU   6  -4.089  -7.381   9.341
   54    H    ASN   7           H        ASN   7  -0.213  -8.934   7.392
   55    HA   ASN   7           HA       ASN   7   0.976  -6.981   8.989
   56    HB2  ASN   7           1HB      ASN   7   2.130  -9.008   7.106
   57    HB3  ASN   7           2HB      ASN   7   3.141  -8.000   8.134
   58   HD21  ASN   7          1HD2      ASN   7   3.155  -8.335  10.338
   59   HD22  ASN   7          2HD2      ASN   7   2.524  -9.784  11.052
   60    H    VAL   8           H        VAL   8   0.795  -7.285   5.510
   61    HA   VAL   8           HA       VAL   8   2.811  -5.435   4.851
   62    HB   VAL   8           HB       VAL   8   0.374  -6.212   3.237
   63   HG11  VAL   8          1HG1      VAL   8   2.973  -4.929   2.402
   64   HG12  VAL   8          2HG1      VAL   8   1.384  -4.166   2.430
   65   HG13  VAL   8          3HG1      VAL   8   1.705  -5.488   1.314
   66   HG21  VAL   8          3HG2      VAL   8   3.164  -7.357   3.316
   67   HG22  VAL   8          1HG2      VAL   8   1.939  -7.774   2.119
   68   HG23  VAL   8          2HG2      VAL   8   1.676  -8.159   3.820
   69    H    GLU   9           H        GLU   9  -0.659  -5.088   5.382
   70    HA   GLU   9           HA       GLU   9  -0.997  -2.489   4.455
   71    HB2  GLU   9           1HB      GLU   9  -2.838  -3.996   5.095
   72    HB3  GLU   9           2HB      GLU   9  -2.390  -3.814   6.786
   73    HG2  GLU   9           1HG      GLU   9  -2.903  -1.433   6.682
   74    HG3  GLU   9           2HG      GLU   9  -3.309  -1.584   4.974
   75    H    GLU  10           H        GLU  10  -0.001  -3.634   7.644
   76    HA   GLU  10           HA       GLU  10   0.237  -1.198   8.974
   77    HB2  GLU  10           1HB      GLU  10   0.523  -3.124  10.298
   78    HB3  GLU  10           2HB      GLU  10   1.714  -3.813   9.199
   79    HG2  GLU  10           1HG      GLU  10   3.254  -1.952   9.847
   80    HG3  GLU  10           2HG      GLU  10   2.088  -1.504  11.093
   81    H    LYS  11           H        LYS  11   2.729  -2.998   7.198
   82    HA   LYS  11           HA       LYS  11   4.666  -0.959   7.739
   83    HB2  LYS  11           1HB      LYS  11   4.863  -3.582   7.472
   84    HB3  LYS  11           2HB      LYS  11   5.205  -3.147   5.804
   85    HG2  LYS  11           1HG      LYS  11   7.178  -2.102   6.330
   86    HG3  LYS  11           2HG      LYS  11   6.675  -1.752   7.985
   87    HD2  LYS  11           1HD      LYS  11   7.445  -4.456   6.881
   88    HD3  LYS  11           2HD      LYS  11   8.412  -3.455   7.962
   89    HE2  LYS  11           1HE      LYS  11   5.781  -4.800   8.577
   90    HE3  LYS  11           2HE      LYS  11   7.357  -5.166   9.264
   91    HZ1  LYS  11           3HZ      LYS  11   7.339  -3.272  10.557
   92    HZ2  LYS  11           1HZ      LYS  11   5.712  -3.750  10.610
   93    HZ3  LYS  11           2HZ      LYS  11   6.185  -2.473   9.598
   94    H    LEU  12           H        LEU  12   2.487  -1.639   5.169
   95    HA   LEU  12           HA       LEU  12   3.784  -0.161   3.128
   96    HB2  LEU  12           1HB      LEU  12   1.852  -1.653   2.718
   97    HB3  LEU  12           2HB      LEU  12   0.824  -0.548   3.611
   98    HG   LEU  12           HG       LEU  12   1.234   1.198   1.926
   99   HD11  LEU  12          1HD1      LEU  12   2.714  -0.951   0.412
  100   HD12  LEU  12          2HD1      LEU  12   3.465   0.423   1.222
  101   HD13  LEU  12          3HD1      LEU  12   2.380   0.689  -0.140
  102   HD21  LEU  12          3HD2      LEU  12  -0.066   0.184   0.118
  103   HD22  LEU  12          1HD2      LEU  12  -0.707  -0.265   1.698
  104   HD23  LEU  12          2HD2      LEU  12   0.261  -1.418   0.778
  105    H    LYS  13           H        LYS  13   1.395   0.694   5.602
  106    HA   LYS  13           HA       LYS  13   1.191   3.427   5.103
  107    HB2  LYS  13           1HB      LYS  13  -0.272   2.284   6.680
  108    HB3  LYS  13           2HB      LYS  13   1.096   1.918   7.718
  109    HG2  LYS  13           1HG      LYS  13   1.407   4.312   8.140
  110    HG3  LYS  13           2HG      LYS  13   0.005   4.662   7.131
  111    HD2  LYS  13           1HD      LYS  13  -0.578   4.696   9.504
  112    HD3  LYS  13           2HD      LYS  13  -1.423   3.398   8.659
  113    HE2  LYS  13           1HE      LYS  13   0.070   1.751   9.559
  114    HE3  LYS  13           2HE      LYS  13   1.132   2.998  10.217
  115    HZ1  LYS  13           3HZ      LYS  13  -1.695   2.676  11.056
  116    HZ2  LYS  13           1HZ      LYS  13  -0.485   3.601  11.804
  117    HZ3  LYS  13           2HZ      LYS  13  -0.410   1.906  11.848
  118    H    GLU  14           H        GLU  14   3.480   1.625   7.099
  119    HA   GLU  14           HA       GLU  14   4.917   3.812   8.101
  120    HB2  GLU  14           1HB      GLU  14   5.951   1.030   7.539
  121    HB3  GLU  14           2HB      GLU  14   6.669   2.209   8.630
  122    HG2  GLU  14           1HG      GLU  14   4.633   2.128  10.011
  123    HG3  GLU  14           2HG      GLU  14   3.988   0.882   8.943
  124    H    PHE  15           H        PHE  15   5.369   1.878   5.177
  125    HA   PHE  15           HA       PHE  15   7.830   3.101   4.445
  126    HB2  PHE  15           1HB      PHE  15   6.578   0.845   3.704
  127    HB3  PHE  15           2HB      PHE  15   6.101   1.878   2.366
  128    HD1  PHE  15           HD1      PHE  15   9.311   1.861   4.231
  129    HD2  PHE  15           HD2      PHE  15   7.346   0.991   0.542
  130    HE1  PHE  15           HE1      PHE  15  11.482   1.419   3.178
  131    HE2  PHE  15           HE2      PHE  15   9.523   0.557  -0.503
  132    HZ   PHE  15           HZ       PHE  15  11.588   0.768   0.810
  133    H    VAL  16           H        VAL  16   4.503   3.943   3.976
  134    HA   VAL  16           HA       VAL  16   5.090   5.812   1.849
  135    HB   VAL  16           HB       VAL  16   2.513   5.354   3.368
  136   HG11  VAL  16          1HG1      VAL  16   1.459   6.670   1.571
  137   HG12  VAL  16          2HG1      VAL  16   3.058   7.052   0.933
  138   HG13  VAL  16          3HG1      VAL  16   2.584   7.631   2.530
  139   HG21  VAL  16          3HG2      VAL  16   1.776   4.284   1.282
  140   HG22  VAL  16          1HG2      VAL  16   3.158   3.456   1.997
  141   HG23  VAL  16          2HG2      VAL  16   3.389   4.513   0.604
  142    H    LYS  17           H        LYS  17   3.614   6.280   5.114
  143    HA   LYS  17           HA       LYS  17   4.298   9.098   4.807
  144    HB2  LYS  17           1HB      LYS  17   2.803   9.418   6.810
  145    HB3  LYS  17           2HB      LYS  17   2.039   8.879   5.330
  146    HG2  LYS  17           1HG      LYS  17   1.004   7.600   6.942
  147    HG3  LYS  17           2HG      LYS  17   2.265   6.520   6.352
  148    HD2  LYS  17           1HD      LYS  17   2.107   6.479   8.791
  149    HD3  LYS  17           2HD      LYS  17   3.668   7.092   8.249
  150    HE2  LYS  17           1HE      LYS  17   2.836   8.411  10.109
  151    HE3  LYS  17           2HE      LYS  17   2.897   9.385   8.644
  152    HZ1  LYS  17           3HZ      LYS  17   0.859   9.672  10.004
  153    HZ2  LYS  17           1HZ      LYS  17   0.424   8.076   9.643
  154    HZ3  LYS  17           2HZ      LYS  17   0.550   9.225   8.400
  155    H    ARG  18           H        ARG  18   5.239   6.400   6.756
  156    HA   ARG  18           HA       ARG  18   6.615   8.093   8.670
  157    HB2  ARG  18           1HB      ARG  18   6.634   5.095   8.310
  158    HB3  ARG  18           2HB      ARG  18   7.532   5.940   9.562
  159    HG2  ARG  18           1HG      ARG  18   5.396   6.842  10.425
  160    HG3  ARG  18           2HG      ARG  18   4.541   5.862   9.234
  161    HD2  ARG  18           1HD      ARG  18   4.540   4.685  11.329
  162    HD3  ARG  18           2HD      ARG  18   5.622   3.844  10.218
  163    HE   ARG  18           HE       ARG  18   7.184   5.638  11.655
  164   HH11  ARG  18          1HH1      ARG  18   5.261   2.777  12.284
  165   HH12  ARG  18          2HH1      ARG  18   6.155   2.324  13.697
  166   HH21  ARG  18          1HH2      ARG  18   8.339   5.070  13.536
  167   HH22  ARG  18          2HH2      ARG  18   7.889   3.650  14.433
  168    H    HIS  19           H        HIS  19   7.201   7.240   5.570
  169    HA   HIS  19           HA       HIS  19  10.107   7.538   5.924
  170    HB2  HIS  19           1HB      HIS  19   8.538   5.987   3.871
  171    HB3  HIS  19           2HB      HIS  19  10.181   6.524   3.545
  172    HD1  HIS  19           HD1      HIS  19   8.380   4.465   6.226
  173    HD2  HIS  19           HD2      HIS  19  12.033   4.748   4.267
  174    HE1  HIS  19           HE1      HIS  19   9.801   2.562   7.094
  175    H    GLN  20           H        GLN  20  10.779   8.188   3.335
  176    HA   GLN  20           HA       GLN  20   9.791  10.921   3.211
  177    HB2  GLN  20           1HB      GLN  20  11.630  11.292   1.633
  178    HB3  GLN  20           2HB      GLN  20  12.204  10.546   3.120
  179    HG2  GLN  20           1HG      GLN  20  12.285   8.384   2.034
  180    HG3  GLN  20           2HG      GLN  20  11.628   9.090   0.561
  181   HE21  GLN  20          1HE2      GLN  20  13.969  10.745   2.547
  182   HE22  GLN  20          2HE2      GLN  20  15.295  10.612   1.440
  183    H    ARG  21           H        ARG  21   8.139   8.643   2.411
  184    HA   ARG  21           HA       ARG  21   6.581   8.102   0.871
  185    HB2  ARG  21           1HB      ARG  21   6.202  10.505   0.545
  186    HB3  ARG  21           2HB      ARG  21   7.537  10.576  -0.594
  187    HG2  ARG  21           1HG      ARG  21   6.318   9.034  -2.080
  188    HG3  ARG  21           2HG      ARG  21   4.960   9.063  -0.959
  189    HD2  ARG  21           1HD      ARG  21   4.663  11.433  -1.323
  190    HD3  ARG  21           2HD      ARG  21   6.111  11.491  -2.324
  191    HE   ARG  21           HE       ARG  21   3.673  10.008  -3.082
  192   HH11  ARG  21          1HH1      ARG  21   6.399  12.054  -3.869
  193   HH12  ARG  21          2HH1      ARG  21   6.024  12.127  -5.564
  194   HH21  ARG  21          1HH2      ARG  21   3.151  10.116  -5.322
  195   HH22  ARG  21          2HH2      ARG  21   4.177  11.028  -6.388
  196    H    ILE  22           H        ILE  22   6.377   6.959  -1.060
  197    HA   ILE  22           HA       ILE  22   8.823   6.570  -2.616
  198    HB   ILE  22           HB       ILE  22   8.783   4.735  -1.025
  199   HG12  ILE  22          1HG1      ILE  22   7.949   3.822  -3.786
  200   HG13  ILE  22          2HG1      ILE  22   9.578   4.274  -3.294
  201   HG21  ILE  22          1HG2      ILE  22   6.501   4.615  -0.385
  202   HG22  ILE  22          2HG2      ILE  22   6.926   3.060  -1.099
  203   HG23  ILE  22          3HG2      ILE  22   5.992   4.232  -2.030
  204   HD11  ILE  22          3HD1      ILE  22   7.986   1.954  -2.242
  205   HD12  ILE  22          1HD1      ILE  22   9.603   2.412  -1.714
  206   HD13  ILE  22          2HD1      ILE  22   9.337   1.869  -3.371
  207    H    THR  23           H        THR  23   8.473   6.080  -4.783
  208    HA   THR  23           HA       THR  23   6.035   7.077  -5.849
  209    HB   THR  23           HB       THR  23   7.205   6.019  -8.017
  210    HG1  THR  23           HG1      THR  23   9.107   5.243  -7.523
  211   HG21  THR  23          3HG2      THR  23   6.747   8.385  -7.667
  212   HG22  THR  23          1HG2      THR  23   8.388   8.160  -8.276
  213   HG23  THR  23          2HG2      THR  23   8.122   8.505  -6.565
  214    H    GLN  24           H        GLN  24   4.535   6.010  -7.176
  215    HA   GLN  24           HA       GLN  24   3.507   3.664  -6.073
  216    HB2  GLN  24           1HB      GLN  24   2.151   5.337  -7.237
  217    HB3  GLN  24           2HB      GLN  24   2.937   4.936  -8.754
  218    HG2  GLN  24           1HG      GLN  24   1.596   2.716  -7.336
  219    HG3  GLN  24           2HG      GLN  24   0.560   3.967  -8.020
  220   HE21  GLN  24          1HE2      GLN  24   0.551   4.293 -10.253
  221   HE22  GLN  24          2HE2      GLN  24   1.101   3.070 -11.350
  222    H    GLU  25           H        GLU  25   5.573   4.150  -8.882
  223    HA   GLU  25           HA       GLU  25   5.328   1.646 -10.079
  224    HB2  GLU  25           1HB      GLU  25   6.493   3.636 -11.035
  225    HB3  GLU  25           2HB      GLU  25   7.825   3.333  -9.926
  226    HG2  GLU  25           1HG      GLU  25   8.232   2.481 -12.204
  227    HG3  GLU  25           2HG      GLU  25   8.292   1.230 -10.962
  228    H    GLU  26           H        GLU  26   7.990   2.682  -7.921
  229    HA   GLU  26           HA       GLU  26   8.939   0.052  -7.512
  230    HB2  GLU  26           1HB      GLU  26   9.369   2.526  -5.826
  231    HB3  GLU  26           2HB      GLU  26  10.277   1.027  -5.677
  232    HG2  GLU  26           1HG      GLU  26  11.726   2.140  -6.995
  233    HG3  GLU  26           2HG      GLU  26  10.689   1.498  -8.267
  234    H    LEU  27           H        LEU  27   6.486   1.953  -5.935
  235    HA   LEU  27           HA       LEU  27   6.291   0.421  -3.565
  236    HB2  LEU  27           1HB      LEU  27   5.378   2.701  -3.827
  237    HB3  LEU  27           2HB      LEU  27   4.191   2.088  -4.958
  238    HG   LEU  27           HG       LEU  27   4.261   0.943  -2.195
  239   HD11  LEU  27          1HD1      LEU  27   4.335   3.330  -1.796
  240   HD12  LEU  27          2HD1      LEU  27   2.717   2.716  -1.456
  241   HD13  LEU  27          3HD1      LEU  27   3.032   3.589  -2.955
  242   HD21  LEU  27          3HD2      LEU  27   1.879   0.692  -2.584
  243   HD22  LEU  27          1HD2      LEU  27   2.773  -0.000  -3.935
  244   HD23  LEU  27          2HD2      LEU  27   2.006   1.578  -4.100
  245    H    HIS  28           H        HIS  28   4.762   0.168  -6.752
  246    HA   HIS  28           HA       HIS  28   2.927  -1.858  -6.029
  247    HB2  HIS  28           1HB      HIS  28   2.867  -0.463  -8.148
  248    HB3  HIS  28           2HB      HIS  28   4.135  -1.513  -8.775
  249    HD1  HIS  28           HD1      HIS  28   3.424  -4.182  -8.849
  250    HD2  HIS  28           HD2      HIS  28   0.366  -1.376  -8.522
  251    HE1  HIS  28           HE1      HIS  28   1.274  -5.409  -9.342
  252    H    GLN  29           H        GLN  29   6.233  -1.950  -7.275
  253    HA   GLN  29           HA       GLN  29   6.444  -4.753  -7.474
  254    HB2  GLN  29           1HB      GLN  29   8.080  -3.126  -8.439
  255    HB3  GLN  29           2HB      GLN  29   8.652  -2.790  -6.811
  256    HG2  GLN  29           1HG      GLN  29  10.116  -4.345  -7.978
  257    HG3  GLN  29           2HG      GLN  29   9.371  -5.091  -6.562
  258   HE21  GLN  29          1HE2      GLN  29   7.861  -6.714  -6.837
  259   HE22  GLN  29          2HE2      GLN  29   7.632  -7.526  -8.347
  260    H    TYR  30           H        TYR  30   6.984  -2.485  -4.856
  261    HA   TYR  30           HA       TYR  30   7.828  -4.326  -2.890
  262    HB2  TYR  30           1HB      TYR  30   8.165  -1.924  -2.661
  263    HB3  TYR  30           2HB      TYR  30   6.432  -1.647  -2.671
  264    HD1  TYR  30           HD1      TYR  30   8.968  -3.601  -0.714
  265    HD2  TYR  30           HD2      TYR  30   5.423  -1.246  -0.648
  266    HE1  TYR  30           HE1      TYR  30   8.948  -3.704   1.742
  267    HE2  TYR  30           HE2      TYR  30   5.398  -1.345   1.808
  268    HH   TYR  30           HH       TYR  30   6.257  -2.697   3.607
  269    H    ALA  31           H        ALA  31   4.694  -3.412  -4.137
  270    HA   ALA  31           HA       ALA  31   3.127  -4.579  -2.067
  271    HB1  ALA  31           3HB      ALA  31   2.204  -2.874  -3.558
  272    HB2  ALA  31           1HB      ALA  31   1.257  -4.359  -3.656
  273    HB3  ALA  31           2HB      ALA  31   2.401  -3.956  -4.937
  274    H    GLN  32           H        GLN  32   3.978  -5.629  -5.350
  275    HA   GLN  32           HA       GLN  32   2.792  -8.162  -5.224
  276    HB2  GLN  32           1HB      GLN  32   3.456  -7.166  -7.333
  277    HB3  GLN  32           2HB      GLN  32   5.145  -7.179  -6.848
  278    HG2  GLN  32           1HG      GLN  32   5.134  -9.616  -6.846
  279    HG3  GLN  32           2HG      GLN  32   3.435  -9.613  -7.311
  280   HE21  GLN  32          1HE2      GLN  32   2.869  -9.070  -9.399
  281   HE22  GLN  32          2HE2      GLN  32   4.020  -8.994 -10.687
  282    H    ARG  33           H        ARG  33   5.986  -7.054  -4.250
  283    HA   ARG  33           HA       ARG  33   7.158  -9.582  -3.840
  284    HB2  ARG  33           1HB      ARG  33   8.434  -7.466  -3.973
  285    HB3  ARG  33           2HB      ARG  33   7.783  -7.002  -2.406
  286    HG2  ARG  33           1HG      ARG  33   9.963  -7.857  -2.032
  287    HG3  ARG  33           2HG      ARG  33   8.813  -9.069  -1.464
  288    HD2  ARG  33           1HD      ARG  33  10.129  -9.146  -4.170
  289    HD3  ARG  33           2HD      ARG  33  10.745  -9.994  -2.753
  290    HE   ARG  33           HE       ARG  33   8.407 -11.069  -2.773
  291   HH11  ARG  33          1HH1      ARG  33  10.288 -10.197  -5.596
  292   HH12  ARG  33          2HH1      ARG  33   9.493 -11.347  -6.632
  293   HH21  ARG  33          1HH2      ARG  33   7.375 -12.587  -4.102
  294   HH22  ARG  33          2HH2      ARG  33   7.818 -12.709  -5.785
  295    H    LEU  34           H        LEU  34   5.189  -7.544  -1.750
  296    HA   LEU  34           HA       LEU  34   5.607  -9.341   0.488
  297    HB2  LEU  34           1HB      LEU  34   3.988  -6.817   0.220
  298    HB3  LEU  34           2HB      LEU  34   4.099  -7.758   1.694
  299    HG   LEU  34           HG       LEU  34   6.357  -6.309   0.309
  300   HD11  LEU  34          1HD1      LEU  34   5.040  -5.882   2.984
  301   HD12  LEU  34          2HD1      LEU  34   4.819  -4.877   1.552
  302   HD13  LEU  34          3HD1      LEU  34   6.398  -4.966   2.332
  303   HD21  LEU  34          3HD2      LEU  34   6.410  -7.999   2.808
  304   HD22  LEU  34          1HD2      LEU  34   7.749  -7.045   2.175
  305   HD23  LEU  34          2HD2      LEU  34   7.139  -8.422   1.261
  306    H    GLY  35           H        GLY  35   3.217  -8.742  -1.967
  307    HA2  GLY  35           1HA      GLY  35   1.876 -10.781  -2.425
  308    HA3  GLY  35           2HA      GLY  35   1.573 -10.849  -0.703
  309    H    LEU  36           H        LEU  36   1.465  -7.996  -2.821
  310    HA   LEU  36           HA       LEU  36  -1.361  -7.733  -2.050
  311    HB2  LEU  36           1HB      LEU  36   0.414  -5.541  -3.102
  312    HB3  LEU  36           2HB      LEU  36  -1.180  -5.380  -2.393
  313    HG   LEU  36           HG       LEU  36   1.347  -6.161  -0.938
  314   HD11  LEU  36          1HD1      LEU  36   1.203  -3.794  -1.501
  315   HD12  LEU  36          2HD1      LEU  36   1.005  -4.047   0.236
  316   HD13  LEU  36          3HD1      LEU  36  -0.403  -3.709  -0.772
  317   HD21  LEU  36          3HD2      LEU  36  -1.429  -5.786   0.161
  318   HD22  LEU  36          1HD2      LEU  36   0.019  -6.208   1.069
  319   HD23  LEU  36          2HD2      LEU  36  -0.657  -7.348  -0.097
  320    H    ASN  37           H        ASN  37  -2.884  -7.778  -3.515
  321    HA   ASN  37           HA       ASN  37  -2.201  -7.463  -6.347
  322    HB2  ASN  37           1HB      ASN  37  -4.629  -8.190  -6.689
  323    HB3  ASN  37           2HB      ASN  37  -3.530  -9.409  -6.067
  324   HD21  ASN  37          1HD2      ASN  37  -4.702  -6.881  -3.973
  325   HD22  ASN  37          2HD2      ASN  37  -5.765  -7.886  -3.048
  326    H    GLU  38           H        GLU  38  -3.668  -6.049  -7.643
  327    HA   GLU  38           HA       GLU  38  -3.627  -3.446  -6.790
  328    HB2  GLU  38           1HB      GLU  38  -5.448  -4.778  -8.781
  329    HB3  GLU  38           2HB      GLU  38  -5.473  -3.044  -8.507
  330    HG2  GLU  38           1HG      GLU  38  -3.099  -2.935  -9.142
  331    HG3  GLU  38           2HG      GLU  38  -3.135  -4.669  -9.480
  332    H    GLU  39           H        GLU  39  -6.255  -5.753  -6.384
  333    HA   GLU  39           HA       GLU  39  -8.360  -4.258  -5.512
  334    HB2  GLU  39           1HB      GLU  39  -8.348  -6.704  -5.725
  335    HB3  GLU  39           2HB      GLU  39  -7.317  -6.824  -4.305
  336    HG2  GLU  39           1HG      GLU  39  -9.442  -7.329  -3.515
  337    HG3  GLU  39           2HG      GLU  39  -9.213  -5.640  -3.064
  338    H    ALA  40           H        ALA  40  -5.620  -5.381  -3.607
  339    HA   ALA  40           HA       ALA  40  -6.562  -4.159  -1.176
  340    HB1  ALA  40           3HB      ALA  40  -3.935  -5.491  -1.809
  341    HB2  ALA  40           1HB      ALA  40  -5.361  -6.285  -1.140
  342    HB3  ALA  40           2HB      ALA  40  -4.515  -5.053  -0.202
  343    H    ILE  41           H        ILE  41  -4.271  -3.448  -3.696
  344    HA   ILE  41           HA       ILE  41  -2.821  -1.421  -2.345
  345    HB   ILE  41           HB       ILE  41  -3.248  -1.676  -5.330
  346   HG12  ILE  41          1HG1      ILE  41  -1.092  -2.923  -3.604
  347   HG13  ILE  41          2HG1      ILE  41  -2.444  -3.797  -4.324
  348   HG21  ILE  41          1HG2      ILE  41  -2.276   0.449  -4.672
  349   HG22  ILE  41          2HG2      ILE  41  -1.063  -0.549  -5.477
  350   HG23  ILE  41          3HG2      ILE  41  -1.047  -0.383  -3.721
  351   HD11  ILE  41          3HD1      ILE  41  -1.614  -3.284  -6.542
  352   HD12  ILE  41          1HD1      ILE  41  -0.374  -4.090  -5.583
  353   HD13  ILE  41          2HD1      ILE  41  -0.290  -2.348  -5.849
  354    H    ARG  42           H        ARG  42  -5.644  -1.419  -4.453
  355    HA   ARG  42           HA       ARG  42  -5.891   1.420  -4.545
  356    HB2  ARG  42           1HB      ARG  42  -7.808  -0.798  -5.249
  357    HB3  ARG  42           2HB      ARG  42  -8.146   0.910  -5.517
  358    HG2  ARG  42           1HG      ARG  42  -6.243   1.104  -6.968
  359    HG3  ARG  42           2HG      ARG  42  -5.808  -0.583  -6.685
  360    HD2  ARG  42           1HD      ARG  42  -8.009  -1.231  -7.672
  361    HD3  ARG  42           2HD      ARG  42  -8.271   0.469  -8.072
  362    HE   ARG  42           HE       ARG  42  -6.405  -1.359  -9.345
  363   HH11  ARG  42          1HH1      ARG  42  -7.497   1.950  -8.954
  364   HH12  ARG  42          2HH1      ARG  42  -6.752   2.498 -10.429
  365   HH21  ARG  42          1HH2      ARG  42  -5.370  -0.632 -11.245
  366   HH22  ARG  42          2HH2      ARG  42  -5.538   1.035 -11.726
  367    H    GLN  43           H        GLN  43  -7.019  -1.065  -2.399
  368    HA   GLN  43           HA       GLN  43  -8.933   0.397  -0.967
  369    HB2  GLN  43           1HB      GLN  43  -7.004  -1.739  -0.038
  370    HB3  GLN  43           2HB      GLN  43  -8.277  -1.067   0.976
  371    HG2  GLN  43           1HG      GLN  43  -8.695  -2.499  -1.635
  372    HG3  GLN  43           2HG      GLN  43  -8.931  -3.190  -0.030
  373   HE21  GLN  43          1HE2      GLN  43 -10.039  -0.772   1.078
  374   HE22  GLN  43          2HE2      GLN  43 -11.634  -0.595   0.427
  375    H    PHE  44           H        PHE  44  -5.416   0.311  -0.728
  376    HA   PHE  44           HA       PHE  44  -5.429   2.045   1.586
  377    HB2  PHE  44           1HB      PHE  44  -3.746   0.121   0.969
  378    HB3  PHE  44           2HB      PHE  44  -2.946   1.396   0.050
  379    HD1  PHE  44           HD1      PHE  44  -3.964   0.292   3.391
  380    HD2  PHE  44           HD2      PHE  44  -1.735   3.141   1.156
  381    HE1  PHE  44           HE1      PHE  44  -2.880   1.050   5.460
  382    HE2  PHE  44           HE2      PHE  44  -0.642   3.911   3.222
  383    HZ   PHE  44           HZ       PHE  44  -1.216   2.868   5.380
  384    H    PHE  45           H        PHE  45  -5.071   2.365  -1.858
  385    HA   PHE  45           HA       PHE  45  -4.119   5.115  -1.605
  386    HB2  PHE  45           1HB      PHE  45  -4.477   3.246  -3.927
  387    HB3  PHE  45           2HB      PHE  45  -4.295   4.973  -4.195
  388    HD1  PHE  45           HD1      PHE  45  -2.608   2.417  -2.035
  389    HD2  PHE  45           HD2      PHE  45  -2.214   5.570  -4.866
  390    HE1  PHE  45           HE1      PHE  45  -0.162   2.189  -1.948
  391    HE2  PHE  45           HE2      PHE  45   0.231   5.343  -4.786
  392    HZ   PHE  45           HZ       PHE  45   1.263   3.651  -3.330
  393    H    GLU  46           H        GLU  46  -6.725   3.567  -3.499
  394    HA   GLU  46           HA       GLU  46  -7.814   6.172  -4.030
  395    HB2  GLU  46           1HB      GLU  46  -8.694   3.435  -4.943
  396    HB3  GLU  46           2HB      GLU  46  -9.383   4.954  -5.511
  397    HG2  GLU  46           1HG      GLU  46  -7.130   5.602  -6.325
  398    HG3  GLU  46           2HG      GLU  46  -6.552   3.998  -5.876
  399    H    GLU  47           H        GLU  47  -8.527   3.663  -1.752
  400    HA   GLU  47           HA       GLU  47 -11.142   4.887  -1.232
  401    HB2  GLU  47           1HB      GLU  47 -10.859   2.364  -1.249
  402    HB3  GLU  47           2HB      GLU  47  -9.930   2.540   0.234
  403    HG2  GLU  47           1HG      GLU  47 -11.958   3.759   1.172
  404    HG3  GLU  47           2HG      GLU  47 -12.831   3.145  -0.227
  405    H    PHE  48           H        PHE  48  -8.016   5.395  -0.417
  406    HA   PHE  48           HA       PHE  48  -8.182   5.694   2.427
  407    HB2  PHE  48           1HB      PHE  48  -6.130   5.316   0.800
  408    HB3  PHE  48           2HB      PHE  48  -6.133   7.071   0.764
  409    HD1  PHE  48           HD1      PHE  48  -6.636   4.575   3.501
  410    HD2  PHE  48           HD2      PHE  48  -4.423   7.895   2.023
  411    HE1  PHE  48           HE1      PHE  48  -5.325   4.624   5.579
  412    HE2  PHE  48           HE2      PHE  48  -3.103   7.940   4.095
  413    HZ   PHE  48           HZ       PHE  48  -3.557   6.308   5.881
  414    H    GLU  49           H        GLU  49  -7.644   8.014  -0.178
  415    HA   GLU  49           HA       GLU  49  -9.299  10.053   0.857
  416    HB2  GLU  49           1HB      GLU  49  -7.495  11.661   1.514
  417    HB3  GLU  49           2HB      GLU  49  -7.698  10.304   2.612
  418    HG2  GLU  49           1HG      GLU  49  -5.748   9.212   1.693
  419    HG3  GLU  49           2HG      GLU  49  -5.572  10.488   0.486
  420    H    GLN  50           H        GLN  50  -6.724   9.007  -1.255
  421    HA   GLN  50           HA       GLN  50  -7.016  11.207  -3.083
  422    HB2  GLN  50           1HB      GLN  50  -5.856   8.476  -3.655
  423    HB3  GLN  50           2HB      GLN  50  -5.563   9.964  -4.543
  424    HG2  GLN  50           1HG      GLN  50  -3.730  10.203  -3.323
  425    HG3  GLN  50           2HG      GLN  50  -4.789  10.557  -1.956
  426   HE21  GLN  50          1HE2      GLN  50  -5.102   9.039  -0.385
  427   HE22  GLN  50          2HE2      GLN  50  -4.193   7.578  -0.288
  428    H    ARG  51           H        ARG  51  -9.410   9.961  -2.266
  429    HA   ARG  51           HA       ARG  51 -10.431   8.070  -4.098
  430    HB2  ARG  51           1HB      ARG  51 -11.930  10.047  -2.369
  431    HB3  ARG  51           2HB      ARG  51 -12.594   8.587  -3.086
  432    HG2  ARG  51           1HG      ARG  51 -11.304   7.201  -1.665
  433    HG3  ARG  51           2HG      ARG  51 -10.322   8.567  -1.129
  434    HD2  ARG  51           1HD      ARG  51 -12.224   9.545  -0.024
  435    HD3  ARG  51           2HD      ARG  51 -13.275   8.264  -0.620
  436    HE   ARG  51           HE       ARG  51 -11.488   6.859   0.760
  437   HH11  ARG  51          1HH1      ARG  51 -13.164   9.808   1.584
  438   HH12  ARG  51          2HH1      ARG  51 -13.189   9.479   3.287
  439   HH21  ARG  51          1HH2      ARG  51 -11.484   6.416   2.992
  440   HH22  ARG  51          2HH2      ARG  51 -12.194   7.558   4.097
  441    H    LYS  52           H        LYS  52 -10.267   8.657  -6.218
  442    HA   LYS  52           HA       LYS  52 -12.178  10.576  -7.181
  443    HB2  LYS  52           1HB      LYS  52 -10.527  11.793  -8.603
  444    HB3  LYS  52           2HB      LYS  52 -10.341  12.102  -6.884
  445    HG2  LYS  52           1HG      LYS  52  -8.436  10.606  -6.790
  446    HG3  LYS  52           2HG      LYS  52  -8.649  10.192  -8.492
  447    HD2  LYS  52           1HD      LYS  52  -8.048  12.953  -7.433
  448    HD3  LYS  52           2HD      LYS  52  -6.864  11.856  -8.144
  449    HE2  LYS  52           1HE      LYS  52  -8.116  11.884 -10.254
  450    HE3  LYS  52           2HE      LYS  52  -9.292  12.986  -9.537
  451    HZ1  LYS  52           3HZ      LYS  52  -7.658  14.158 -10.893
  452    HZ2  LYS  52           1HZ      LYS  52  -6.403  13.564  -9.921
  453    HZ3  LYS  52           2HZ      LYS  52  -7.551  14.629  -9.272
  Start of MODEL   28
    1    H1   MET   1           1H       MET   1 -12.352  -7.886   2.531
    2    H2   MET   1           2H       MET   1 -12.430  -8.465   4.119
    3    H3   MET   1           3H       MET   1 -13.732  -8.716   3.064
    4    HA   MET   1           HA       MET   1 -12.468 -10.738   3.319
    5    HB2  MET   1           1HB      MET   1 -12.113  -9.398   0.624
    6    HB3  MET   1           2HB      MET   1 -11.894 -11.116   0.915
    7    HG2  MET   1           1HG      MET   1 -14.220 -11.353   1.509
    8    HG3  MET   1           2HG      MET   1 -14.463  -9.615   1.348
    9    HE1  MET   1           3HE      MET   1 -16.533 -10.102  -0.242
   10    HE2  MET   1           1HE      MET   1 -16.262 -11.841  -0.126
   11    HE3  MET   1           2HE      MET   1 -16.442 -11.080  -1.708
   12    H    LYS   2           H        LYS   2 -10.397 -11.823   2.395
   13    HA   LYS   2           HA       LYS   2  -8.114 -10.341   3.386
   14    HB2  LYS   2           1HB      LYS   2  -8.545 -13.149   2.420
   15    HB3  LYS   2           2HB      LYS   2  -6.912 -12.503   2.500
   16    HG2  LYS   2           1HG      LYS   2  -7.345 -13.719   4.511
   17    HG3  LYS   2           2HG      LYS   2  -7.274 -12.002   4.903
   18    HD2  LYS   2           1HD      LYS   2  -9.106 -12.977   6.103
   19    HD3  LYS   2           2HD      LYS   2  -9.765 -11.950   4.830
   20    HE2  LYS   2           1HE      LYS   2 -11.008 -14.019   4.942
   21    HE3  LYS   2           2HE      LYS   2 -10.101 -13.947   3.431
   22    HZ1  LYS   2           3HZ      LYS   2  -9.233 -15.421   5.861
   23    HZ2  LYS   2           1HZ      LYS   2  -8.450 -15.410   4.358
   24    HZ3  LYS   2           2HZ      LYS   2  -9.978 -16.131   4.513
   25    H    GLN   3           H        GLN   3  -6.667  -9.275   2.180
   26    HA   GLN   3           HA       GLN   3  -6.692  -9.609  -0.704
   27    HB2  GLN   3           1HB      GLN   3  -6.991  -7.145  -1.063
   28    HB3  GLN   3           2HB      GLN   3  -8.419  -7.993  -0.501
   29    HG2  GLN   3           1HG      GLN   3  -8.083  -7.176   1.732
   30    HG3  GLN   3           2HG      GLN   3  -6.580  -6.390   1.254
   31   HE21  GLN   3          1HE2      GLN   3  -9.019  -5.251   2.396
   32   HE22  GLN   3          2HE2      GLN   3  -9.547  -4.048   1.274
   33    H    TRP   4           H        TRP   4  -5.490  -7.368   1.784
   34    HA   TRP   4           HA       TRP   4  -2.788  -7.833   0.788
   35    HB2  TRP   4           1HB      TRP   4  -2.311  -6.143   2.779
   36    HB3  TRP   4           2HB      TRP   4  -2.862  -5.578   1.222
   37    HD1  TRP   4           HD1      TRP   4  -4.499  -3.706   1.489
   38    HE1  TRP   4           HE1      TRP   4  -6.445  -3.126   3.067
   39    HE3  TRP   4           HE3      TRP   4  -4.125  -7.664   4.607
   40    HZ2  TRP   4           HZ2      TRP   4  -7.656  -4.231   5.376
   41    HZ3  TRP   4           HZ3      TRP   4  -5.697  -7.854   6.506
   42    HH2  TRP   4           HH2      TRP   4  -7.426  -6.165   6.881
   43    H    SER   5           H        SER   5  -1.117  -8.232   2.538
   44    HA   SER   5           HA       SER   5  -2.160 -10.023   4.567
   45    HB2  SER   5           1HB      SER   5   0.669  -9.266   3.802
   46    HB3  SER   5           2HB      SER   5   0.256 -10.416   5.078
   47    HG   SER   5           HG       SER   5  -0.514 -11.816   3.598
   48    H    GLU   6           H        GLU   6  -2.511  -9.359   6.620
   49    HA   GLU   6           HA       GLU   6  -2.783  -6.747   7.308
   50    HB2  GLU   6           1HB      GLU   6  -2.847  -7.415   9.665
   51    HB3  GLU   6           2HB      GLU   6  -3.799  -8.471   8.630
   52    HG2  GLU   6           1HG      GLU   6  -1.967 -10.077   8.639
   53    HG3  GLU   6           2HG      GLU   6  -1.063  -9.038   9.732
   54    H    ASN   7           H        ASN   7   0.122  -8.642   7.641
   55    HA   ASN   7           HA       ASN   7   1.535  -6.809   9.294
   56    HB2  ASN   7           1HB      ASN   7   2.653  -8.901   7.430
   57    HB3  ASN   7           2HB      ASN   7   3.482  -8.179   8.805
   58   HD21  ASN   7          1HD2      ASN   7   2.928  -8.826  10.895
   59   HD22  ASN   7          2HD2      ASN   7   1.981 -10.247  11.191
   60    H    VAL   8           H        VAL   8   1.083  -7.219   5.891
   61    HA   VAL   8           HA       VAL   8   3.162  -5.434   5.052
   62    HB   VAL   8           HB       VAL   8   0.698  -6.311   3.523
   63   HG11  VAL   8          1HG1      VAL   8   2.131  -5.830   1.560
   64   HG12  VAL   8          2HG1      VAL   8   3.331  -5.139   2.651
   65   HG13  VAL   8          3HG1      VAL   8   1.729  -4.412   2.524
   66   HG21  VAL   8          3HG2      VAL   8   2.144  -8.044   2.537
   67   HG22  VAL   8          1HG2      VAL   8   1.948  -8.265   4.276
   68   HG23  VAL   8          2HG2      VAL   8   3.443  -7.580   3.637
   69    H    GLU   9           H        GLU   9  -0.328  -5.291   5.456
   70    HA   GLU   9           HA       GLU   9  -0.868  -2.790   4.445
   71    HB2  GLU   9           1HB      GLU   9  -2.531  -4.493   5.168
   72    HB3  GLU   9           2HB      GLU   9  -2.158  -4.113   6.841
   73    HG2  GLU   9           1HG      GLU   9  -3.127  -1.977   4.983
   74    HG3  GLU   9           2HG      GLU   9  -4.264  -3.104   5.716
   75    H    GLU  10           H        GLU  10   0.182  -3.684   7.689
   76    HA   GLU  10           HA       GLU  10   0.104  -1.130   8.842
   77    HB2  GLU  10           1HB      GLU  10   0.269  -3.211  10.136
   78    HB3  GLU  10           2HB      GLU  10   1.886  -3.485   9.503
   79    HG2  GLU  10           1HG      GLU  10   2.135  -2.622  11.686
   80    HG3  GLU  10           2HG      GLU  10   2.570  -1.325  10.576
   81    H    LYS  11           H        LYS  11   2.848  -2.920   7.406
   82    HA   LYS  11           HA       LYS  11   4.649  -0.761   7.942
   83    HB2  LYS  11           1HB      LYS  11   5.423  -3.073   8.005
   84    HB3  LYS  11           2HB      LYS  11   5.055  -3.258   6.295
   85    HG2  LYS  11           1HG      LYS  11   6.801  -1.799   5.654
   86    HG3  LYS  11           2HG      LYS  11   6.992  -1.193   7.298
   87    HD2  LYS  11           1HD      LYS  11   8.805  -2.705   6.713
   88    HD3  LYS  11           2HD      LYS  11   7.822  -3.376   8.014
   89    HE2  LYS  11           1HE      LYS  11   6.652  -4.793   6.388
   90    HE3  LYS  11           2HE      LYS  11   7.650  -4.125   5.095
   91    HZ1  LYS  11           3HZ      LYS  11   9.592  -5.075   6.084
   92    HZ2  LYS  11           1HZ      LYS  11   8.424  -6.300   5.941
   93    HZ3  LYS  11           2HZ      LYS  11   8.722  -5.582   7.451
   94    H    LEU  12           H        LEU  12   2.822  -1.799   5.122
   95    HA   LEU  12           HA       LEU  12   4.184  -0.280   3.184
   96    HB2  LEU  12           1HB      LEU  12   2.449  -1.958   2.648
   97    HB3  LEU  12           2HB      LEU  12   1.225  -0.900   3.323
   98    HG   LEU  12           HG       LEU  12   1.866   0.796   1.572
   99   HD11  LEU  12          1HD1      LEU  12   3.063  -0.029  -0.399
  100   HD12  LEU  12          2HD1      LEU  12   3.368  -1.556   0.429
  101   HD13  LEU  12          3HD1      LEU  12   4.079  -0.062   1.040
  102   HD21  LEU  12          3HD2      LEU  12  -0.123  -0.595   1.378
  103   HD22  LEU  12          1HD2      LEU  12   0.830  -1.868   0.622
  104   HD23  LEU  12          2HD2      LEU  12   0.614  -0.324  -0.200
  105    H    LYS  13           H        LYS  13   1.411   0.492   5.230
  106    HA   LYS  13           HA       LYS  13   0.981   3.139   4.556
  107    HB2  LYS  13           1HB      LYS  13  -0.518   2.023   6.027
  108    HB3  LYS  13           2HB      LYS  13   0.765   1.648   7.159
  109    HG2  LYS  13           1HG      LYS  13   0.956   4.107   7.616
  110    HG3  LYS  13           2HG      LYS  13  -0.498   4.327   6.638
  111    HD2  LYS  13           1HD      LYS  13  -1.149   4.205   8.949
  112    HD3  LYS  13           2HD      LYS  13  -1.677   2.730   8.137
  113    HE2  LYS  13           1HE      LYS  13   0.500   1.691   8.976
  114    HE3  LYS  13           2HE      LYS  13   0.638   3.100  10.023
  115    HZ1  LYS  13           3HZ      LYS  13  -0.398   1.225  11.140
  116    HZ2  LYS  13           1HZ      LYS  13  -1.640   1.196   9.986
  117    HZ3  LYS  13           2HZ      LYS  13  -1.476   2.533  11.019
  118    H    GLU  14           H        GLU  14   3.257   1.772   6.899
  119    HA   GLU  14           HA       GLU  14   4.338   4.219   7.791
  120    HB2  GLU  14           1HB      GLU  14   5.697   1.520   7.699
  121    HB3  GLU  14           2HB      GLU  14   6.142   2.881   8.720
  122    HG2  GLU  14           1HG      GLU  14   4.025   2.702   9.905
  123    HG3  GLU  14           2HG      GLU  14   3.551   1.357   8.868
  124    H    PHE  15           H        PHE  15   5.230   2.033   5.171
  125    HA   PHE  15           HA       PHE  15   7.722   3.295   4.623
  126    HB2  PHE  15           1HB      PHE  15   7.215   0.914   4.183
  127    HB3  PHE  15           2HB      PHE  15   6.078   1.403   2.937
  128    HD1  PHE  15           HD1      PHE  15   9.621   2.131   3.855
  129    HD2  PHE  15           HD2      PHE  15   6.839   1.140   0.795
  130    HE1  PHE  15           HE1      PHE  15  11.456   2.069   2.217
  131    HE2  PHE  15           HE2      PHE  15   8.664   1.077  -0.850
  132    HZ   PHE  15           HZ       PHE  15  10.979   1.546  -0.143
  133    H    VAL  16           H        VAL  16   4.465   3.890   3.596
  134    HA   VAL  16           HA       VAL  16   5.363   5.435   1.288
  135    HB   VAL  16           HB       VAL  16   2.546   4.819   2.194
  136   HG11  VAL  16          1HG1      VAL  16   3.547   5.957  -0.416
  137   HG12  VAL  16          2HG1      VAL  16   2.644   6.829   0.823
  138   HG13  VAL  16          3HG1      VAL  16   1.880   5.506  -0.058
  139   HG21  VAL  16          3HG2      VAL  16   4.212   3.525   0.037
  140   HG22  VAL  16          1HG2      VAL  16   2.521   3.175   0.391
  141   HG23  VAL  16          2HG2      VAL  16   3.766   2.800   1.582
  142    H    LYS  17           H        LYS  17   4.257   5.948   4.530
  143    HA   LYS  17           HA       LYS  17   3.854   8.795   3.896
  144    HB2  LYS  17           1HB      LYS  17   2.579   7.154   6.082
  145    HB3  LYS  17           2HB      LYS  17   2.385   8.891   5.895
  146    HG2  LYS  17           1HG      LYS  17   1.512   6.792   3.917
  147    HG3  LYS  17           2HG      LYS  17   0.465   7.681   5.023
  148    HD2  LYS  17           1HD      LYS  17   2.102   8.856   2.769
  149    HD3  LYS  17           2HD      LYS  17   0.354   8.635   2.787
  150    HE2  LYS  17           1HE      LYS  17   1.899  10.385   4.694
  151    HE3  LYS  17           2HE      LYS  17   1.039  10.957   3.268
  152    HZ1  LYS  17           3HZ      LYS  17  -1.030  10.187   4.221
  153    HZ2  LYS  17           1HZ      LYS  17  -0.256  11.239   5.299
  154    HZ3  LYS  17           2HZ      LYS  17  -0.218   9.569   5.577
  155    H    ARG  18           H        ARG  18   5.398   6.538   6.066
  156    HA   ARG  18           HA       ARG  18   6.343   8.755   7.743
  157    HB2  ARG  18           1HB      ARG  18   6.453   5.778   8.262
  158    HB3  ARG  18           2HB      ARG  18   6.894   7.047   9.398
  159    HG2  ARG  18           1HG      ARG  18   4.588   7.827   9.444
  160    HG3  ARG  18           2HG      ARG  18   4.138   6.589   8.272
  161    HD2  ARG  18           1HD      ARG  18   3.549   5.905  10.539
  162    HD3  ARG  18           2HD      ARG  18   4.785   4.846   9.860
  163    HE   ARG  18           HE       ARG  18   5.813   7.045  11.436
  164   HH11  ARG  18          1HH1      ARG  18   4.670   3.732  11.516
  165   HH12  ARG  18          2HH1      ARG  18   5.580   3.322  12.930
  166   HH21  ARG  18          1HH2      ARG  18   6.992   6.518  13.313
  167   HH22  ARG  18          2HH2      ARG  18   6.912   4.900  13.953
  168    H    HIS  19           H        HIS  19   7.398   5.988   5.863
  169    HA   HIS  19           HA       HIS  19  10.207   6.614   6.105
  170    HB2  HIS  19           1HB      HIS  19   9.048   4.301   5.737
  171    HB3  HIS  19           2HB      HIS  19   8.977   4.788   4.051
  172    HD1  HIS  19           HD1      HIS  19  10.999   2.877   6.246
  173    HD2  HIS  19           HD2      HIS  19  11.773   5.537   3.147
  174    HE1  HIS  19           HE1      HIS  19  13.333   2.359   5.437
  175    H    GLN  20           H        GLN  20   9.115   8.867   5.383
  176    HA   GLN  20           HA       GLN  20   9.019  10.552   3.903
  177    HB2  GLN  20           1HB      GLN  20  10.838   8.683   2.487
  178    HB3  GLN  20           2HB      GLN  20  10.117   9.976   1.534
  179    HG2  GLN  20           1HG      GLN  20  11.029  11.606   3.146
  180    HG3  GLN  20           2HG      GLN  20  11.802  10.274   4.011
  181   HE21  GLN  20          1HE2      GLN  20  13.871  11.053   3.625
  182   HE22  GLN  20          2HE2      GLN  20  14.604  10.969   2.059
  183    H    ARG  21           H        ARG  21   8.881   8.170   1.353
  184    HA   ARG  21           HA       ARG  21   6.184   7.872   0.909
  185    HB2  ARG  21           1HB      ARG  21   7.289  10.409  -0.279
  186    HB3  ARG  21           2HB      ARG  21   6.073   9.496  -1.156
  187    HG2  ARG  21           1HG      ARG  21   4.687   9.653   0.992
  188    HG3  ARG  21           2HG      ARG  21   5.826  10.917   1.464
  189    HD2  ARG  21           1HD      ARG  21   3.954  11.975   0.430
  190    HD3  ARG  21           2HD      ARG  21   5.311  12.068  -0.694
  191    HE   ARG  21           HE       ARG  21   4.287  10.371  -2.019
  192   HH11  ARG  21          1HH1      ARG  21   2.295  11.601   0.591
  193   HH12  ARG  21          2HH1      ARG  21   0.804  11.004  -0.086
  194   HH21  ARG  21          1HH2      ARG  21   2.341   9.585  -2.928
  195   HH22  ARG  21          2HH2      ARG  21   0.833   9.886  -2.111
  196    H    ILE  22           H        ILE  22   5.767   7.139  -1.385
  197    HA   ILE  22           HA       ILE  22   8.085   6.713  -3.053
  198    HB   ILE  22           HB       ILE  22   8.235   4.806  -1.491
  199   HG12  ILE  22          1HG1      ILE  22   7.360   3.922  -4.247
  200   HG13  ILE  22          2HG1      ILE  22   8.940   4.609  -3.882
  201   HG21  ILE  22          1HG2      ILE  22   6.512   3.040  -1.541
  202   HG22  ILE  22          2HG2      ILE  22   5.503   4.083  -2.543
  203   HG23  ILE  22          3HG2      ILE  22   5.899   4.562  -0.894
  204   HD11  ILE  22          3HD1      ILE  22   7.815   2.052  -2.771
  205   HD12  ILE  22          1HD1      ILE  22   9.394   2.735  -2.382
  206   HD13  ILE  22          2HD1      ILE  22   9.046   2.195  -4.025
  207    H    THR  23           H        THR  23   7.555   6.204  -5.195
  208    HA   THR  23           HA       THR  23   4.917   6.883  -6.042
  209    HB   THR  23           HB       THR  23   6.376   5.704  -8.163
  210    HG1  THR  23           HG1      THR  23   8.360   5.985  -7.400
  211   HG21  THR  23          3HG2      THR  23   5.921   8.594  -7.431
  212   HG22  THR  23          1HG2      THR  23   4.808   7.575  -8.345
  213   HG23  THR  23          2HG2      THR  23   6.381   7.992  -9.024
  214    H    GLN  24           H        GLN  24   3.662   5.520  -7.555
  215    HA   GLN  24           HA       GLN  24   2.826   3.242  -6.145
  216    HB2  GLN  24           1HB      GLN  24   1.315   4.615  -7.475
  217    HB3  GLN  24           2HB      GLN  24   2.143   4.132  -8.947
  218    HG2  GLN  24           1HG      GLN  24   1.457   1.791  -8.503
  219    HG3  GLN  24           2HG      GLN  24   0.529   2.369  -7.122
  220   HE21  GLN  24          1HE2      GLN  24   0.833   4.182 -10.077
  221   HE22  GLN  24          2HE2      GLN  24  -0.803   3.984 -10.598
  222    H    GLU  25           H        GLU  25   4.892   3.528  -8.996
  223    HA   GLU  25           HA       GLU  25   4.624   0.834  -9.815
  224    HB2  GLU  25           1HB      GLU  25   5.437   2.622 -11.290
  225    HB3  GLU  25           2HB      GLU  25   6.907   2.730 -10.329
  226    HG2  GLU  25           1HG      GLU  25   7.595   0.555 -10.988
  227    HG3  GLU  25           2HG      GLU  25   6.032   0.220 -11.733
  228    H    GLU  26           H        GLU  26   7.325   2.428  -8.084
  229    HA   GLU  26           HA       GLU  26   8.662  -0.008  -7.527
  230    HB2  GLU  26           1HB      GLU  26   8.855   2.482  -5.838
  231    HB3  GLU  26           2HB      GLU  26  10.072   1.235  -6.067
  232    HG2  GLU  26           1HG      GLU  26  10.932   2.825  -7.424
  233    HG3  GLU  26           2HG      GLU  26   9.876   2.020  -8.584
  234    H    LEU  27           H        LEU  27   6.051   1.691  -6.051
  235    HA   LEU  27           HA       LEU  27   5.975   0.380  -3.560
  236    HB2  LEU  27           1HB      LEU  27   4.717   2.450  -4.206
  237    HB3  LEU  27           2HB      LEU  27   3.666   1.455  -5.187
  238    HG   LEU  27           HG       LEU  27   3.915   0.941  -2.234
  239   HD11  LEU  27          1HD1      LEU  27   2.117   2.941  -3.595
  240   HD12  LEU  27          2HD1      LEU  27   3.394   3.294  -2.428
  241   HD13  LEU  27          3HD1      LEU  27   1.958   2.400  -1.925
  242   HD21  LEU  27          3HD2      LEU  27   2.771  -0.742  -3.576
  243   HD22  LEU  27          1HD2      LEU  27   1.717   0.497  -4.260
  244   HD23  LEU  27          2HD2      LEU  27   1.621   0.108  -2.543
  245    H    HIS  28           H        HIS  28   4.545  -0.369  -6.724
  246    HA   HIS  28           HA       HIS  28   3.122  -2.660  -5.932
  247    HB2  HIS  28           1HB      HIS  28   2.796  -1.522  -8.120
  248    HB3  HIS  28           2HB      HIS  28   4.364  -2.133  -8.645
  249    HD1  HIS  28           HD1      HIS  28   4.517  -4.902  -8.619
  250    HD2  HIS  28           HD2      HIS  28   0.732  -3.174  -8.673
  251    HE1  HIS  28           HE1      HIS  28   2.907  -6.740  -9.223
  252    H    GLN  29           H        GLN  29   6.448  -2.229  -7.046
  253    HA   GLN  29           HA       GLN  29   7.207  -4.916  -7.165
  254    HB2  GLN  29           1HB      GLN  29   8.627  -3.105  -8.001
  255    HB3  GLN  29           2HB      GLN  29   8.850  -2.503  -6.365
  256    HG2  GLN  29           1HG      GLN  29  10.807  -3.714  -7.112
  257    HG3  GLN  29           2HG      GLN  29  10.034  -4.545  -5.765
  258   HE21  GLN  29          1HE2      GLN  29   9.055  -6.517  -6.101
  259   HE22  GLN  29          2HE2      GLN  29   9.306  -7.446  -7.538
  260    H    TYR  30           H        TYR  30   6.909  -2.701  -4.477
  261    HA   TYR  30           HA       TYR  30   8.015  -4.515  -2.534
  262    HB2  TYR  30           1HB      TYR  30   8.080  -1.967  -2.449
  263    HB3  TYR  30           2HB      TYR  30   6.376  -2.030  -2.021
  264    HD1  TYR  30           HD1      TYR  30   9.554  -3.670  -0.938
  265    HD2  TYR  30           HD2      TYR  30   5.910  -1.810   0.225
  266    HE1  TYR  30           HE1      TYR  30  10.196  -3.902   1.421
  267    HE2  TYR  30           HE2      TYR  30   6.541  -2.043   2.591
  268    HH   TYR  30           HH       TYR  30   9.699  -2.856   3.568
  269    H    ALA  31           H        ALA  31   4.962  -3.949  -3.993
  270    HA   ALA  31           HA       ALA  31   3.378  -4.962  -1.794
  271    HB1  ALA  31           3HB      ALA  31   2.592  -4.298  -4.633
  272    HB2  ALA  31           1HB      ALA  31   2.484  -3.213  -3.250
  273    HB3  ALA  31           2HB      ALA  31   1.482  -4.660  -3.313
  274    H    GLN  32           H        GLN  32   4.222  -5.999  -5.075
  275    HA   GLN  32           HA       GLN  32   3.001  -8.554  -4.864
  276    HB2  GLN  32           1HB      GLN  32   3.562  -7.371  -6.993
  277    HB3  GLN  32           2HB      GLN  32   5.260  -7.691  -6.677
  278    HG2  GLN  32           1HG      GLN  32   4.481  -9.291  -8.252
  279    HG3  GLN  32           2HG      GLN  32   4.752 -10.120  -6.720
  280   HE21  GLN  32          1HE2      GLN  32   3.056 -10.794  -9.028
  281   HE22  GLN  32          2HE2      GLN  32   1.462 -11.001  -8.385
  282    H    ARG  33           H        ARG  33   6.033  -7.245  -3.851
  283    HA   ARG  33           HA       ARG  33   7.439  -9.670  -3.451
  284    HB2  ARG  33           1HB      ARG  33   8.552  -7.473  -3.454
  285    HB3  ARG  33           2HB      ARG  33   7.689  -7.029  -1.988
  286    HG2  ARG  33           1HG      ARG  33   9.689  -7.666  -1.104
  287    HG3  ARG  33           2HG      ARG  33   8.826  -9.202  -1.048
  288    HD2  ARG  33           1HD      ARG  33  10.883  -9.782  -1.953
  289    HD3  ARG  33           2HD      ARG  33   9.854  -9.612  -3.375
  290    HE   ARG  33           HE       ARG  33  11.550  -7.373  -2.486
  291   HH11  ARG  33          1HH1      ARG  33  10.582  -9.671  -4.955
  292   HH12  ARG  33          2HH1      ARG  33  11.648  -9.012  -6.165
  293   HH21  ARG  33          1HH2      ARG  33  12.966  -6.522  -4.067
  294   HH22  ARG  33          2HH2      ARG  33  12.993  -7.221  -5.665
  295    H    LEU  34           H        LEU  34   5.143  -7.836  -1.514
  296    HA   LEU  34           HA       LEU  34   5.635  -9.584   0.772
  297    HB2  LEU  34           1HB      LEU  34   4.143  -6.987   0.505
  298    HB3  LEU  34           2HB      LEU  34   4.187  -7.931   1.983
  299    HG   LEU  34           HG       LEU  34   6.593  -6.744   0.601
  300   HD11  LEU  34          1HD1      LEU  34   5.168  -5.046   1.632
  301   HD12  LEU  34          2HD1      LEU  34   6.688  -5.232   2.506
  302   HD13  LEU  34          3HD1      LEU  34   5.207  -5.938   3.154
  303   HD21  LEU  34          3HD2      LEU  34   7.811  -7.438   2.594
  304   HD22  LEU  34          1HD2      LEU  34   7.100  -8.827   1.772
  305   HD23  LEU  34          2HD2      LEU  34   6.351  -8.190   3.236
  306    H    GLY  35           H        GLY  35   3.176  -8.965  -1.630
  307    HA2  GLY  35           1HA      GLY  35   1.781 -10.999  -1.975
  308    HA3  GLY  35           2HA      GLY  35   1.527 -10.999  -0.238
  309    H    LEU  36           H        LEU  36   1.372  -8.238  -2.503
  310    HA   LEU  36           HA       LEU  36  -1.371  -7.838  -1.512
  311    HB2  LEU  36           1HB      LEU  36   0.360  -5.746  -2.806
  312    HB3  LEU  36           2HB      LEU  36  -1.126  -5.518  -1.908
  313    HG   LEU  36           HG       LEU  36   1.569  -6.282  -0.799
  314   HD11  LEU  36          1HD1      LEU  36  -0.254  -3.918  -0.389
  315   HD12  LEU  36          2HD1      LEU  36   1.294  -3.928  -1.234
  316   HD13  LEU  36          3HD1      LEU  36   1.237  -4.215   0.505
  317   HD21  LEU  36          3HD2      LEU  36  -0.078  -7.615   0.343
  318   HD22  LEU  36          1HD2      LEU  36  -1.103  -6.206   0.579
  319   HD23  LEU  36          2HD2      LEU  36   0.448  -6.307   1.402
  320    H    ASN  37           H        ASN  37  -3.025  -7.871  -2.855
  321    HA   ASN  37           HA       ASN  37  -2.581  -8.067  -5.717
  322    HB2  ASN  37           1HB      ASN  37  -4.886  -8.630  -5.931
  323    HB3  ASN  37           2HB      ASN  37  -4.307  -9.473  -4.506
  324   HD21  ASN  37          1HD2      ASN  37  -4.411  -6.913  -2.915
  325   HD22  ASN  37          2HD2      ASN  37  -6.092  -6.712  -2.559
  326    H    GLU  38           H        GLU  38  -3.904  -6.657  -7.198
  327    HA   GLU  38           HA       GLU  38  -3.058  -4.016  -6.832
  328    HB2  GLU  38           1HB      GLU  38  -5.111  -5.164  -8.721
  329    HB3  GLU  38           2HB      GLU  38  -4.538  -3.503  -8.799
  330    HG2  GLU  38           1HG      GLU  38  -2.272  -4.282  -9.196
  331    HG3  GLU  38           2HG      GLU  38  -2.815  -5.956  -9.072
  332    H    GLU  39           H        GLU  39  -6.088  -5.528  -6.007
  333    HA   GLU  39           HA       GLU  39  -7.714  -3.316  -5.590
  334    HB2  GLU  39           1HB      GLU  39  -8.446  -5.662  -5.460
  335    HB3  GLU  39           2HB      GLU  39  -7.556  -5.848  -3.955
  336    HG2  GLU  39           1HG      GLU  39  -9.886  -5.565  -3.474
  337    HG3  GLU  39           2HG      GLU  39  -9.007  -4.136  -2.932
  338    H    ALA  40           H        ALA  40  -5.505  -4.918  -3.321
  339    HA   ALA  40           HA       ALA  40  -5.978  -3.084  -1.187
  340    HB1  ALA  40           3HB      ALA  40  -3.722  -5.045  -1.600
  341    HB2  ALA  40           1HB      ALA  40  -5.237  -5.365  -0.756
  342    HB3  ALA  40           2HB      ALA  40  -4.087  -4.202  -0.094
  343    H    ILE  41           H        ILE  41  -3.669  -3.344  -3.784
  344    HA   ILE  41           HA       ILE  41  -1.787  -1.461  -2.864
  345    HB   ILE  41           HB       ILE  41  -2.471  -2.148  -5.730
  346   HG12  ILE  41          1HG1      ILE  41  -0.432  -3.383  -3.864
  347   HG13  ILE  41          2HG1      ILE  41  -1.943  -4.140  -4.371
  348   HG21  ILE  41          1HG2      ILE  41   0.027  -0.965  -4.517
  349   HG22  ILE  41          2HG2      ILE  41  -1.130  -0.128  -5.553
  350   HG23  ILE  41          3HG2      ILE  41  -0.159  -1.450  -6.201
  351   HD11  ILE  41          3HD1      ILE  41   0.347  -3.388  -6.179
  352   HD12  ILE  41          1HD1      ILE  41  -1.154  -4.168  -6.679
  353   HD13  ILE  41          2HD1      ILE  41  -0.034  -5.013  -5.608
  354    H    ARG  42           H        ARG  42  -4.604  -1.189  -4.984
  355    HA   ARG  42           HA       ARG  42  -4.325   1.614  -5.418
  356    HB2  ARG  42           1HB      ARG  42  -5.562  -0.069  -6.882
  357    HB3  ARG  42           2HB      ARG  42  -6.857   0.006  -5.705
  358    HG2  ARG  42           1HG      ARG  42  -7.088   2.396  -6.133
  359    HG3  ARG  42           2HG      ARG  42  -5.786   2.294  -7.317
  360    HD2  ARG  42           1HD      ARG  42  -8.504   1.045  -7.428
  361    HD3  ARG  42           2HD      ARG  42  -7.792   2.194  -8.559
  362    HE   ARG  42           HE       ARG  42  -7.351  -0.680  -8.435
  363   HH11  ARG  42          1HH1      ARG  42  -6.274   2.385  -9.740
  364   HH12  ARG  42          2HH1      ARG  42  -5.484   1.676 -11.105
  365   HH21  ARG  42          1HH2      ARG  42  -6.301  -1.629 -10.217
  366   HH22  ARG  42          2HH2      ARG  42  -5.471  -0.630 -11.367
  367    H    GLN  43           H        GLN  43  -5.962  -0.391  -3.077
  368    HA   GLN  43           HA       GLN  43  -7.804   1.424  -2.044
  369    HB2  GLN  43           1HB      GLN  43  -7.679  -1.022  -1.499
  370    HB3  GLN  43           2HB      GLN  43  -6.307  -0.672  -0.453
  371    HG2  GLN  43           1HG      GLN  43  -7.735   0.828   0.872
  372    HG3  GLN  43           2HG      GLN  43  -9.102   0.393  -0.148
  373   HE21  GLN  43          1HE2      GLN  43 -10.306  -0.468   1.444
  374   HE22  GLN  43          2HE2      GLN  43  -9.905  -1.938   2.274
  375    H    PHE  44           H        PHE  44  -4.379   1.038  -1.374
  376    HA   PHE  44           HA       PHE  44  -4.318   2.728   0.900
  377    HB2  PHE  44           1HB      PHE  44  -2.405   1.331  -0.810
  378    HB3  PHE  44           2HB      PHE  44  -1.784   2.803  -0.080
  379    HD1  PHE  44           HD1      PHE  44  -3.428  -0.420   0.731
  380    HD2  PHE  44           HD2      PHE  44  -1.163   2.889   2.155
  381    HE1  PHE  44           HE1      PHE  44  -3.126  -1.558   2.890
  382    HE2  PHE  44           HE2      PHE  44  -0.865   1.761   4.317
  383    HZ   PHE  44           HZ       PHE  44  -1.849  -0.459   4.690
  384    H    PHE  45           H        PHE  45  -4.299   3.328  -2.483
  385    HA   PHE  45           HA       PHE  45  -3.581   6.119  -2.033
  386    HB2  PHE  45           1HB      PHE  45  -4.377   4.649  -4.556
  387    HB3  PHE  45           2HB      PHE  45  -3.964   6.359  -4.498
  388    HD1  PHE  45           HD1      PHE  45  -1.660   7.054  -3.949
  389    HD2  PHE  45           HD2      PHE  45  -2.702   2.971  -4.541
  390    HE1  PHE  45           HE1      PHE  45   0.717   6.499  -4.268
  391    HE2  PHE  45           HE2      PHE  45  -0.331   2.405  -4.857
  392    HZ   PHE  45           HZ       PHE  45   1.385   4.172  -4.722
  393    H    GLU  46           H        GLU  46  -6.371   4.283  -3.254
  394    HA   GLU  46           HA       GLU  46  -7.930   6.647  -3.621
  395    HB2  GLU  46           1HB      GLU  46  -9.582   5.241  -4.533
  396    HB3  GLU  46           2HB      GLU  46  -8.048   4.507  -4.965
  397    HG2  GLU  46           1HG      GLU  46  -8.323   2.922  -3.081
  398    HG3  GLU  46           2HG      GLU  46  -9.918   3.615  -2.799
  399    H    GLU  47           H        GLU  47  -7.898   4.064  -1.224
  400    HA   GLU  47           HA       GLU  47 -10.101   5.362   0.186
  401    HB2  GLU  47           1HB      GLU  47  -8.876   2.645   0.309
  402    HB3  GLU  47           2HB      GLU  47  -9.790   3.244   1.690
  403    HG2  GLU  47           1HG      GLU  47 -11.604   3.767  -0.113
  404    HG3  GLU  47           2HG      GLU  47 -10.722   2.566  -1.057
  405    H    PHE  48           H        PHE  48  -7.070   6.092   0.102
  406    HA   PHE  48           HA       PHE  48  -6.557   6.143   2.968
  407    HB2  PHE  48           1HB      PHE  48  -4.827   5.944   0.948
  408    HB3  PHE  48           2HB      PHE  48  -4.886   7.698   1.047
  409    HD1  PHE  48           HD1      PHE  48  -4.826   8.480   3.704
  410    HD2  PHE  48           HD2      PHE  48  -3.056   5.010   1.997
  411    HE1  PHE  48           HE1      PHE  48  -3.199   8.405   5.545
  412    HE2  PHE  48           HE2      PHE  48  -1.429   4.929   3.825
  413    HZ   PHE  48           HZ       PHE  48  -1.492   6.626   5.611
  414    H    GLU  49           H        GLU  49  -6.530   8.620   0.423
  415    HA   GLU  49           HA       GLU  49  -8.031  10.407   2.199
  416    HB2  GLU  49           1HB      GLU  49  -6.537  12.272   1.458
  417    HB3  GLU  49           2HB      GLU  49  -5.740  11.068   2.465
  418    HG2  GLU  49           1HG      GLU  49  -4.693  10.074   0.567
  419    HG3  GLU  49           2HG      GLU  49  -5.612  11.094  -0.537
  420    H    GLN  50           H        GLN  50  -8.048   8.839  -0.612
  421    HA   GLN  50           HA       GLN  50  -9.079  11.063  -2.217
  422    HB2  GLN  50           1HB      GLN  50  -8.404   8.225  -3.022
  423    HB3  GLN  50           2HB      GLN  50  -8.971   9.483  -4.114
  424    HG2  GLN  50           1HG      GLN  50  -6.416   9.588  -2.524
  425    HG3  GLN  50           2HG      GLN  50  -6.539   9.150  -4.226
  426   HE21  GLN  50          1HE2      GLN  50  -8.553  11.107  -4.871
  427   HE22  GLN  50          2HE2      GLN  50  -7.774  12.653  -4.835
  428    H    ARG  51           H        ARG  51 -10.252   9.365   0.065
  429    HA   ARG  51           HA       ARG  51 -12.605   8.175  -1.020
  430    HB2  ARG  51           1HB      ARG  51 -11.656   8.902   1.727
  431    HB3  ARG  51           2HB      ARG  51 -13.331   8.433   1.475
  432    HG2  ARG  51           1HG      ARG  51 -12.705   6.281   0.731
  433    HG3  ARG  51           2HG      ARG  51 -11.007   6.750   0.610
  434    HD2  ARG  51           1HD      ARG  51 -10.712   6.782   2.905
  435    HD3  ARG  51           2HD      ARG  51 -12.445   6.910   3.225
  436    HE   ARG  51           HE       ARG  51 -12.093   4.478   1.978
  437   HH11  ARG  51          1HH1      ARG  51 -10.806   5.991   4.861
  438   HH12  ARG  51          2HH1      ARG  51 -10.746   4.505   5.756
  439   HH21  ARG  51          1HH2      ARG  51 -11.994   2.523   3.136
  440   HH22  ARG  51          2HH2      ARG  51 -11.406   2.528   4.782
  441    H    LYS  52           H        LYS  52 -14.357   9.170  -1.690
  442    HA   LYS  52           HA       LYS  52 -14.628  12.034  -1.166
  443    HB2  LYS  52           1HB      LYS  52 -16.019  10.278  -3.200
  444    HB3  LYS  52           2HB      LYS  52 -16.142  12.031  -3.093
  445    HG2  LYS  52           1HG      LYS  52 -13.902  12.336  -3.750
  446    HG3  LYS  52           2HG      LYS  52 -13.517  10.634  -3.499
  447    HD2  LYS  52           1HD      LYS  52 -15.331  11.761  -5.631
  448    HD3  LYS  52           2HD      LYS  52 -13.699  11.134  -5.872
  449    HE2  LYS  52           1HE      LYS  52 -14.515   8.940  -4.970
  450    HE3  LYS  52           2HE      LYS  52 -16.147   9.603  -5.015
  451    HZ1  LYS  52           3HZ      LYS  52 -15.860   8.412  -7.004
  452    HZ2  LYS  52           1HZ      LYS  52 -14.331   9.080  -7.295
  453    HZ3  LYS  52           2HZ      LYS  52 -15.719  10.042  -7.444
  Start of MODEL   29
    1    H1   MET   1           1H       MET   1  -7.641 -14.225   1.021
    2    H2   MET   1           2H       MET   1  -9.248 -14.459   0.531
    3    H3   MET   1           3H       MET   1  -8.669 -15.228   1.926
    4    HA   MET   1           HA       MET   1 -10.061 -13.357   2.489
    5    HB2  MET   1           1HB      MET   1  -8.124 -13.978   3.932
    6    HB3  MET   1           2HB      MET   1  -7.138 -12.811   3.065
    7    HG2  MET   1           1HG      MET   1  -8.606 -11.009   3.827
    8    HG3  MET   1           2HG      MET   1  -9.577 -12.183   4.712
    9    HE1  MET   1           3HE      MET   1  -5.632 -12.070   4.319
   10    HE2  MET   1           1HE      MET   1  -5.202 -11.112   5.735
   11    HE3  MET   1           2HE      MET   1  -6.124 -10.379   4.422
   12    H    LYS   2           H        LYS   2 -10.741 -11.244   2.015
   13    HA   LYS   2           HA       LYS   2  -9.492 -10.095  -0.357
   14    HB2  LYS   2           1HB      LYS   2 -11.488  -8.598  -0.364
   15    HB3  LYS   2           2HB      LYS   2 -11.880 -10.312  -0.503
   16    HG2  LYS   2           1HG      LYS   2 -12.371 -10.314   1.944
   17    HG3  LYS   2           2HG      LYS   2 -12.156  -8.561   1.934
   18    HD2  LYS   2           1HD      LYS   2 -13.960  -8.322   0.332
   19    HD3  LYS   2           2HD      LYS   2 -14.141 -10.074   0.239
   20    HE2  LYS   2           1HE      LYS   2 -15.852  -9.255   1.675
   21    HE3  LYS   2           2HE      LYS   2 -14.658 -10.067   2.684
   22    HZ1  LYS   2           3HZ      LYS   2 -15.420  -7.950   3.616
   23    HZ2  LYS   2           1HZ      LYS   2 -14.809  -7.130   2.266
   24    HZ3  LYS   2           2HZ      LYS   2 -13.751  -7.943   3.318
   25    H    GLN   3           H        GLN   3  -8.367  -9.843   2.454
   26    HA   GLN   3           HA       GLN   3  -8.294  -6.919   2.514
   27    HB2  GLN   3           1HB      GLN   3  -7.707  -8.978   4.664
   28    HB3  GLN   3           2HB      GLN   3  -7.346  -7.265   4.833
   29    HG2  GLN   3           1HG      GLN   3  -9.584  -6.672   4.930
   30    HG3  GLN   3           2HG      GLN   3 -10.115  -8.177   4.183
   31   HE21  GLN   3          1HE2      GLN   3  -9.022  -6.669   7.138
   32   HE22  GLN   3          2HE2      GLN   3  -9.524  -7.944   8.197
   33    H    TRP   4           H        TRP   4  -6.274  -5.985   2.197
   34    HA   TRP   4           HA       TRP   4  -4.091  -7.269   1.121
   35    HB2  TRP   4           1HB      TRP   4  -3.227  -5.343   3.138
   36    HB3  TRP   4           2HB      TRP   4  -3.012  -5.303   1.393
   37    HD1  TRP   4           HD1      TRP   4  -4.416  -3.590   0.104
   38    HE1  TRP   4           HE1      TRP   4  -6.300  -1.931   0.703
   39    HE3  TRP   4           HE3      TRP   4  -5.317  -5.141   4.855
   40    HZ2  TRP   4           HZ2      TRP   4  -7.952  -1.368   2.933
   41    HZ3  TRP   4           HZ3      TRP   4  -7.062  -4.003   6.165
   42    HH2  TRP   4           HH2      TRP   4  -8.349  -2.154   5.223
   43    H    SER   5           H        SER   5  -2.259  -8.307   2.018
   44    HA   SER   5           HA       SER   5  -2.430  -9.822   4.301
   45    HB2  SER   5           1HB      SER   5   0.162  -8.497   3.508
   46    HB3  SER   5           2HB      SER   5  -0.093 -10.119   4.150
   47    HG   SER   5           HG       SER   5  -1.018 -10.718   2.187
   48    H    GLU   6           H        GLU   6  -3.232  -8.924   6.124
   49    HA   GLU   6           HA       GLU   6  -3.390  -6.427   6.980
   50    HB2  GLU   6           1HB      GLU   6  -4.309  -8.326   8.198
   51    HB3  GLU   6           2HB      GLU   6  -2.711  -8.710   8.823
   52    HG2  GLU   6           1HG      GLU   6  -2.647  -6.749  10.133
   53    HG3  GLU   6           2HG      GLU   6  -4.054  -6.072   9.314
   54    H    ASN   7           H        ASN   7  -0.422  -8.308   7.611
   55    HA   ASN   7           HA       ASN   7   0.866  -6.344   9.161
   56    HB2  ASN   7           1HB      ASN   7   2.043  -8.484   7.396
   57    HB3  ASN   7           2HB      ASN   7   2.983  -7.510   8.523
   58   HD21  ASN   7          1HD2      ASN   7   2.616  -7.757  10.757
   59   HD22  ASN   7          2HD2      ASN   7   1.916  -9.215  11.389
   60    H    VAL   8           H        VAL   8   0.559  -6.761   5.736
   61    HA   VAL   8           HA       VAL   8   2.570  -4.918   4.934
   62    HB   VAL   8           HB       VAL   8   0.129  -5.907   3.442
   63   HG11  VAL   8          1HG1      VAL   8   0.797  -3.950   2.362
   64   HG12  VAL   8          2HG1      VAL   8   1.542  -5.255   1.444
   65   HG13  VAL   8          3HG1      VAL   8   2.511  -4.311   2.571
   66   HG21  VAL   8          3HG2      VAL   8   1.617  -7.720   4.078
   67   HG22  VAL   8          1HG2      VAL   8   2.998  -6.847   3.411
   68   HG23  VAL   8          2HG2      VAL   8   1.722  -7.427   2.341
   69    H    GLU   9           H        GLU   9  -0.985  -4.715   5.043
   70    HA   GLU   9           HA       GLU   9  -1.555  -2.177   4.396
   71    HB2  GLU   9           1HB      GLU   9  -3.205  -3.782   5.175
   72    HB3  GLU   9           2HB      GLU   9  -2.566  -3.700   6.807
   73    HG2  GLU   9           1HG      GLU   9  -3.664  -1.251   5.480
   74    HG3  GLU   9           2HG      GLU   9  -4.744  -2.435   6.211
   75    H    GLU  10           H        GLU  10  -0.469  -3.126   7.640
   76    HA   GLU  10           HA       GLU  10  -0.301  -0.604   8.788
   77    HB2  GLU  10           1HB      GLU  10  -0.165  -2.512  10.187
   78    HB3  GLU  10           2HB      GLU  10   1.193  -3.170   9.287
   79    HG2  GLU  10           1HG      GLU  10   2.644  -1.441  10.135
   80    HG3  GLU  10           2HG      GLU  10   1.289  -0.675  10.967
   81    H    LYS  11           H        LYS  11   2.334  -2.477   7.256
   82    HA   LYS  11           HA       LYS  11   4.182  -0.335   7.788
   83    HB2  LYS  11           1HB      LYS  11   4.842  -2.677   8.023
   84    HB3  LYS  11           2HB      LYS  11   4.595  -2.926   6.298
   85    HG2  LYS  11           1HG      LYS  11   6.455  -1.647   5.723
   86    HG3  LYS  11           2HG      LYS  11   6.506  -0.845   7.292
   87    HD2  LYS  11           1HD      LYS  11   6.926  -3.800   7.084
   88    HD3  LYS  11           2HD      LYS  11   8.247  -2.685   6.743
   89    HE2  LYS  11           1HE      LYS  11   8.257  -3.483   9.075
   90    HE3  LYS  11           2HE      LYS  11   8.076  -1.737   8.959
   91    HZ1  LYS  11           3HZ      LYS  11   5.768  -3.570   9.307
   92    HZ2  LYS  11           1HZ      LYS  11   5.798  -1.883   9.514
   93    HZ3  LYS  11           2HZ      LYS  11   6.610  -2.894  10.614
   94    H    LEU  12           H        LEU  12   2.210  -1.275   5.136
   95    HA   LEU  12           HA       LEU  12   3.662   0.013   3.060
   96    HB2  LEU  12           1HB      LEU  12   1.599  -1.596   2.974
   97    HB3  LEU  12           2HB      LEU  12   0.666  -0.124   3.117
   98    HG   LEU  12           HG       LEU  12   1.724   0.733   1.053
   99   HD11  LEU  12          1HD1      LEU  12   3.010  -0.829  -0.349
  100   HD12  LEU  12          2HD1      LEU  12   2.988  -2.005   0.962
  101   HD13  LEU  12          3HD1      LEU  12   3.831  -0.470   1.170
  102   HD21  LEU  12          3HD2      LEU  12   0.429  -1.981   0.797
  103   HD22  LEU  12          1HD2      LEU  12   0.564  -0.782  -0.488
  104   HD23  LEU  12          2HD2      LEU  12  -0.411  -0.437   0.939
  105    H    LYS  13           H        LYS  13   1.077   0.995   5.238
  106    HA   LYS  13           HA       LYS  13   0.873   3.685   4.492
  107    HB2  LYS  13           1HB      LYS  13  -0.825   2.798   5.859
  108    HB3  LYS  13           2HB      LYS  13   0.321   2.153   7.019
  109    HG2  LYS  13           1HG      LYS  13   0.223   5.097   6.713
  110    HG3  LYS  13           2HG      LYS  13  -1.146   4.308   7.498
  111    HD2  LYS  13           1HD      LYS  13   0.708   3.075   8.860
  112    HD3  LYS  13           2HD      LYS  13   1.718   4.432   8.351
  113    HE2  LYS  13           1HE      LYS  13   0.768   4.933  10.506
  114    HE3  LYS  13           2HE      LYS  13   0.017   5.979   9.300
  115    HZ1  LYS  13           3HZ      LYS  13  -1.186   3.462  10.327
  116    HZ2  LYS  13           1HZ      LYS  13  -1.919   4.576   9.283
  117    HZ3  LYS  13           2HZ      LYS  13  -1.586   5.012  10.883
  118    H    GLU  14           H        GLU  14   3.043   2.026   6.722
  119    HA   GLU  14           HA       GLU  14   4.318   4.326   7.752
  120    HB2  GLU  14           1HB      GLU  14   5.457   1.548   7.407
  121    HB3  GLU  14           2HB      GLU  14   6.114   2.805   8.441
  122    HG2  GLU  14           1HG      GLU  14   4.011   2.750   9.755
  123    HG3  GLU  14           2HG      GLU  14   3.482   1.390   8.763
  124    H    PHE  15           H        PHE  15   5.066   2.215   5.001
  125    HA   PHE  15           HA       PHE  15   7.563   3.482   4.457
  126    HB2  PHE  15           1HB      PHE  15   7.001   1.098   4.003
  127    HB3  PHE  15           2HB      PHE  15   5.926   1.635   2.725
  128    HD1  PHE  15           HD1      PHE  15   9.423   2.473   3.730
  129    HD2  PHE  15           HD2      PHE  15   6.790   1.165   0.658
  130    HE1  PHE  15           HE1      PHE  15  11.313   2.370   2.159
  131    HE2  PHE  15           HE2      PHE  15   8.672   1.063  -0.918
  132    HZ   PHE  15           HZ       PHE  15  10.940   1.669  -0.170
  133    H    VAL  16           H        VAL  16   4.320   4.198   3.626
  134    HA   VAL  16           HA       VAL  16   5.144   5.867   1.375
  135    HB   VAL  16           HB       VAL  16   2.375   5.283   2.452
  136   HG11  VAL  16          1HG1      VAL  16   2.475   7.516   1.465
  137   HG12  VAL  16          2HG1      VAL  16   1.545   6.415   0.448
  138   HG13  VAL  16          3HG1      VAL  16   3.196   6.845   0.001
  139   HG21  VAL  16          3HG2      VAL  16   3.773   4.371  -0.064
  140   HG22  VAL  16          1HG2      VAL  16   2.104   4.009   0.379
  141   HG23  VAL  16          2HG2      VAL  16   3.433   3.376   1.350
  142    H    LYS  17           H        LYS  17   3.371   6.233   4.457
  143    HA   LYS  17           HA       LYS  17   3.442   9.123   4.145
  144    HB2  LYS  17           1HB      LYS  17   2.238   7.489   6.381
  145    HB3  LYS  17           2HB      LYS  17   1.955   9.190   6.053
  146    HG2  LYS  17           1HG      LYS  17   1.170   6.909   4.255
  147    HG3  LYS  17           2HG      LYS  17   0.088   7.775   5.341
  148    HD2  LYS  17           1HD      LYS  17   1.626   9.080   3.091
  149    HD3  LYS  17           2HD      LYS  17  -0.018   8.471   2.924
  150    HE2  LYS  17           1HE      LYS  17  -0.165  10.817   3.296
  151    HE3  LYS  17           2HE      LYS  17  -0.687  10.034   4.782
  152    HZ1  LYS  17           3HZ      LYS  17   0.836  11.975   5.065
  153    HZ2  LYS  17           1HZ      LYS  17   2.068  11.052   4.357
  154    HZ3  LYS  17           2HZ      LYS  17   1.362  10.554   5.820
  155    H    ARG  18           H        ARG  18   4.926   6.656   6.167
  156    HA   ARG  18           HA       ARG  18   6.028   8.740   7.919
  157    HB2  ARG  18           1HB      ARG  18   6.019   5.745   8.324
  158    HB3  ARG  18           2HB      ARG  18   6.488   6.960   9.504
  159    HG2  ARG  18           1HG      ARG  18   4.203   7.808   9.553
  160    HG3  ARG  18           2HG      ARG  18   3.727   6.608   8.351
  161    HD2  ARG  18           1HD      ARG  18   3.083   5.815  10.521
  162    HD3  ARG  18           2HD      ARG  18   4.419   4.826   9.934
  163    HE   ARG  18           HE       ARG  18   5.229   7.047  11.600
  164   HH11  ARG  18          1HH1      ARG  18   4.255   3.676  11.540
  165   HH12  ARG  18          2HH1      ARG  18   4.949   3.316  13.082
  166   HH21  ARG  18          1HH2      ARG  18   6.169   6.563  13.612
  167   HH22  ARG  18          2HH2      ARG  18   6.045   4.956  14.269
  168    H    HIS  19           H        HIS  19   6.917   7.351   5.170
  169    HA   HIS  19           HA       HIS  19   9.747   7.101   5.945
  170    HB2  HIS  19           1HB      HIS  19   8.257   5.160   4.793
  171    HB3  HIS  19           2HB      HIS  19   8.829   5.984   3.347
  172    HD1  HIS  19           HD1      HIS  19   9.959   3.755   6.119
  173    HD2  HIS  19           HD2      HIS  19  11.585   5.782   2.872
  174    HE1  HIS  19           HE1      HIS  19  12.286   2.825   5.792
  175    H    GLN  20           H        GLN  20  10.732   7.216   3.280
  176    HA   GLN  20           HA       GLN  20  10.662  10.075   2.872
  177    HB2  GLN  20           1HB      GLN  20  12.145   7.902   1.381
  178    HB3  GLN  20           2HB      GLN  20  12.387   9.629   1.167
  179    HG2  GLN  20           1HG      GLN  20  13.217   9.837   3.418
  180    HG3  GLN  20           2HG      GLN  20  12.859   8.140   3.738
  181   HE21  GLN  20          1HE2      GLN  20  14.989   7.673   4.238
  182   HE22  GLN  20          2HE2      GLN  20  16.222   7.582   3.026
  183    H    ARG  21           H        ARG  21   8.379   8.116   2.167
  184    HA   ARG  21           HA       ARG  21   6.743   7.910   0.622
  185    HB2  ARG  21           1HB      ARG  21   8.083  10.258  -0.740
  186    HB3  ARG  21           2HB      ARG  21   6.492   9.624  -1.131
  187    HG2  ARG  21           1HG      ARG  21   5.698  10.222   1.088
  188    HG3  ARG  21           2HG      ARG  21   7.302  10.830   1.502
  189    HD2  ARG  21           1HD      ARG  21   5.479  11.887  -0.653
  190    HD3  ARG  21           2HD      ARG  21   5.845  12.663   0.884
  191    HE   ARG  21           HE       ARG  21   8.213  12.159  -0.618
  192   HH11  ARG  21          1HH1      ARG  21   5.473  14.338  -0.361
  193   HH12  ARG  21          2HH1      ARG  21   6.310  15.680  -1.086
  194   HH21  ARG  21          1HH2      ARG  21   9.304  13.904  -1.583
  195   HH22  ARG  21          2HH2      ARG  21   8.493  15.427  -1.797
  196    H    ILE  22           H        ILE  22   6.468   7.661  -1.927
  197    HA   ILE  22           HA       ILE  22   8.728   6.708  -3.349
  198    HB   ILE  22           HB       ILE  22   8.628   4.885  -1.734
  199   HG12  ILE  22          1HG1      ILE  22   7.557   3.987  -4.416
  200   HG13  ILE  22          2HG1      ILE  22   9.240   4.380  -4.084
  201   HG21  ILE  22          1HG2      ILE  22   6.680   3.414  -1.576
  202   HG22  ILE  22          2HG2      ILE  22   5.794   4.472  -2.672
  203   HG23  ILE  22          3HG2      ILE  22   6.291   5.063  -1.086
  204   HD11  ILE  22          3HD1      ILE  22   7.665   2.167  -2.801
  205   HD12  ILE  22          1HD1      ILE  22   9.355   2.553  -2.485
  206   HD13  ILE  22          2HD1      ILE  22   8.865   1.983  -4.082
  207    H    THR  23           H        THR  23   8.212   6.170  -5.490
  208    HA   THR  23           HA       THR  23   5.693   7.136  -6.440
  209    HB   THR  23           HB       THR  23   6.858   5.925  -8.603
  210    HG1  THR  23           HG1      THR  23   9.067   7.120  -7.383
  211   HG21  THR  23          3HG2      THR  23   7.654   8.178  -9.173
  212   HG22  THR  23          1HG2      THR  23   7.408   8.685  -7.503
  213   HG23  THR  23          2HG2      THR  23   6.026   8.222  -8.495
  214    H    GLN  24           H        GLN  24   4.410   5.816  -8.056
  215    HA   GLN  24           HA       GLN  24   3.307   3.742  -6.455
  216    HB2  GLN  24           1HB      GLN  24   1.995   5.394  -7.787
  217    HB3  GLN  24           2HB      GLN  24   2.507   4.558  -9.245
  218    HG2  GLN  24           1HG      GLN  24   1.361   2.558  -8.560
  219    HG3  GLN  24           2HG      GLN  24   0.935   3.290  -7.013
  220   HE21  GLN  24          1HE2      GLN  24  -0.630   4.920  -6.962
  221   HE22  GLN  24          2HE2      GLN  24  -1.745   5.148  -8.260
  222    H    GLU  25           H        GLU  25   5.249   3.732  -9.402
  223    HA   GLU  25           HA       GLU  25   4.626   1.092 -10.208
  224    HB2  GLU  25           1HB      GLU  25   5.662   2.761 -11.690
  225    HB3  GLU  25           2HB      GLU  25   7.129   2.696 -10.724
  226    HG2  GLU  25           1HG      GLU  25   7.316   0.282 -11.296
  227    HG3  GLU  25           2HG      GLU  25   5.954   0.495 -12.395
  228    H    GLU  26           H        GLU  26   7.462   2.362  -8.448
  229    HA   GLU  26           HA       GLU  26   8.614  -0.140  -7.862
  230    HB2  GLU  26           1HB      GLU  26   9.825   2.002  -7.661
  231    HB3  GLU  26           2HB      GLU  26   8.810   2.445  -6.299
  232    HG2  GLU  26           1HG      GLU  26  10.890   1.707  -5.436
  233    HG3  GLU  26           2HG      GLU  26   9.696   0.460  -5.080
  234    H    LEU  27           H        LEU  27   6.151   1.782  -6.285
  235    HA   LEU  27           HA       LEU  27   5.921   0.391  -3.876
  236    HB2  LEU  27           1HB      LEU  27   4.798   2.581  -4.666
  237    HB3  LEU  27           2HB      LEU  27   3.576   1.541  -5.367
  238    HG   LEU  27           HG       LEU  27   2.996   2.517  -3.129
  239   HD11  LEU  27          1HD1      LEU  27   3.083  -0.485  -3.353
  240   HD12  LEU  27          2HD1      LEU  27   1.808   0.583  -3.941
  241   HD13  LEU  27          3HD1      LEU  27   2.094   0.422  -2.210
  242   HD21  LEU  27          3HD2      LEU  27   5.077   0.572  -2.141
  243   HD22  LEU  27          1HD2      LEU  27   4.002   1.548  -1.139
  244   HD23  LEU  27          2HD2      LEU  27   5.236   2.328  -2.132
  245    H    HIS  28           H        HIS  28   4.390  -0.178  -7.038
  246    HA   HIS  28           HA       HIS  28   2.765  -2.336  -6.285
  247    HB2  HIS  28           1HB      HIS  28   2.714  -1.090  -8.492
  248    HB3  HIS  28           2HB      HIS  28   4.119  -2.029  -8.974
  249    HD1  HIS  28           HD1      HIS  28   3.142  -4.819  -7.892
  250    HD2  HIS  28           HD2      HIS  28   0.849  -2.177 -10.131
  251    HE1  HIS  28           HE1      HIS  28   1.323  -6.196  -8.954
  252    H    GLN  29           H        GLN  29   6.124  -2.203  -7.334
  253    HA   GLN  29           HA       GLN  29   6.589  -4.990  -7.406
  254    HB2  GLN  29           1HB      GLN  29   8.504  -2.694  -6.957
  255    HB3  GLN  29           2HB      GLN  29   8.992  -4.355  -7.265
  256    HG2  GLN  29           1HG      GLN  29   7.376  -2.647  -9.143
  257    HG3  GLN  29           2HG      GLN  29   9.110  -2.942  -9.266
  258   HE21  GLN  29          1HE2      GLN  29   8.945  -5.707  -8.447
  259   HE22  GLN  29          2HE2      GLN  29   8.247  -6.577  -9.773
  260    H    TYR  30           H        TYR  30   6.728  -2.589  -4.883
  261    HA   TYR  30           HA       TYR  30   7.908  -4.294  -2.911
  262    HB2  TYR  30           1HB      TYR  30   8.166  -1.855  -2.848
  263    HB3  TYR  30           2HB      TYR  30   6.429  -1.663  -2.659
  264    HD1  TYR  30           HD1      TYR  30   9.348  -3.286  -0.987
  265    HD2  TYR  30           HD2      TYR  30   5.559  -1.405  -0.536
  266    HE1  TYR  30           HE1      TYR  30   9.620  -3.335   1.457
  267    HE2  TYR  30           HE2      TYR  30   5.819  -1.445   1.909
  268    HH   TYR  30           HH       TYR  30   7.018  -2.599   3.607
  269    H    ALA  31           H        ALA  31   4.696  -3.660  -4.048
  270    HA   ALA  31           HA       ALA  31   3.291  -4.549  -1.735
  271    HB1  ALA  31           3HB      ALA  31   1.328  -4.593  -3.211
  272    HB2  ALA  31           1HB      ALA  31   2.380  -4.336  -4.603
  273    HB3  ALA  31           2HB      ALA  31   2.234  -3.087  -3.365
  274    H    GLN  32           H        GLN  32   3.996  -6.063  -4.870
  275    HA   GLN  32           HA       GLN  32   2.975  -8.618  -4.163
  276    HB2  GLN  32           1HB      GLN  32   3.260  -7.858  -6.490
  277    HB3  GLN  32           2HB      GLN  32   5.004  -7.855  -6.273
  278    HG2  GLN  32           1HG      GLN  32   4.984 -10.262  -5.952
  279    HG3  GLN  32           2HG      GLN  32   3.227 -10.278  -6.104
  280   HE21  GLN  32          1HE2      GLN  32   3.288 -11.665  -7.856
  281   HE22  GLN  32          2HE2      GLN  32   3.797 -11.139  -9.427
  282    H    ARG  33           H        ARG  33   5.862  -6.947  -3.499
  283    HA   ARG  33           HA       ARG  33   7.553  -9.178  -2.936
  284    HB2  ARG  33           1HB      ARG  33   8.165  -6.721  -3.483
  285    HB3  ARG  33           2HB      ARG  33   7.856  -6.416  -1.783
  286    HG2  ARG  33           1HG      ARG  33   9.610  -7.947  -1.151
  287    HG3  ARG  33           2HG      ARG  33   9.876  -8.375  -2.843
  288    HD2  ARG  33           1HD      ARG  33  10.336  -5.701  -1.530
  289    HD3  ARG  33           2HD      ARG  33  11.546  -6.774  -2.231
  290    HE   ARG  33           HE       ARG  33   9.837  -6.207  -4.294
  291   HH11  ARG  33          1HH1      ARG  33  11.879  -4.344  -2.154
  292   HH12  ARG  33          2HH1      ARG  33  12.065  -3.022  -3.270
  293   HH21  ARG  33          1HH2      ARG  33  10.063  -4.462  -5.756
  294   HH22  ARG  33          2HH2      ARG  33  11.010  -3.076  -5.309
  295    H    LEU  34           H        LEU  34   4.945  -7.737  -1.317
  296    HA   LEU  34           HA       LEU  34   5.799  -8.905   1.245
  297    HB2  LEU  34           1HB      LEU  34   3.922  -6.622   0.671
  298    HB3  LEU  34           2HB      LEU  34   4.081  -7.370   2.247
  299    HG   LEU  34           HG       LEU  34   6.259  -5.908   0.748
  300   HD11  LEU  34          1HD1      LEU  34   4.770  -5.201   3.274
  301   HD12  LEU  34          2HD1      LEU  34   4.525  -4.455   1.695
  302   HD13  LEU  34          3HD1      LEU  34   6.067  -4.266   2.530
  303   HD21  LEU  34          3HD2      LEU  34   7.174  -7.762   2.048
  304   HD22  LEU  34          1HD2      LEU  34   6.305  -7.200   3.477
  305   HD23  LEU  34          2HD2      LEU  34   7.587  -6.211   2.779
  306    H    GLY  35           H        GLY  35   3.491  -9.073  -1.291
  307    HA2  GLY  35           1HA      GLY  35   2.418 -11.307  -1.363
  308    HA3  GLY  35           2HA      GLY  35   1.991 -11.052   0.318
  309    H    LEU  36           H        LEU  36   1.711  -8.428  -1.993
  310    HA   LEU  36           HA       LEU  36  -1.179  -8.543  -1.553
  311    HB2  LEU  36           1HB      LEU  36   0.455  -6.318  -2.770
  312    HB3  LEU  36           2HB      LEU  36  -1.255  -6.259  -2.382
  313    HG   LEU  36           HG       LEU  36   1.027  -6.443  -0.425
  314   HD11  LEU  36          1HD1      LEU  36  -1.032  -4.308  -0.977
  315   HD12  LEU  36          2HD1      LEU  36   0.693  -4.222  -1.336
  316   HD13  LEU  36          3HD1      LEU  36   0.141  -4.275   0.338
  317   HD21  LEU  36          3HD2      LEU  36  -1.943  -6.451   0.100
  318   HD22  LEU  36          1HD2      LEU  36  -0.675  -6.373   1.322
  319   HD23  LEU  36          2HD2      LEU  36  -0.849  -7.817   0.325
  320    H    ASN  37           H        ASN  37  -2.599  -9.001  -3.082
  321    HA   ASN  37           HA       ASN  37  -1.772  -9.332  -5.831
  322    HB2  ASN  37           1HB      ASN  37  -4.256  -9.766  -6.200
  323    HB3  ASN  37           2HB      ASN  37  -3.427 -10.896  -5.141
  324   HD21  ASN  37          1HD2      ASN  37  -4.319  -7.691  -4.064
  325   HD22  ASN  37          2HD2      ASN  37  -5.578  -8.204  -2.989
  326    H    GLU  38           H        GLU  38  -2.965  -8.163  -7.561
  327    HA   GLU  38           HA       GLU  38  -2.350  -5.465  -7.392
  328    HB2  GLU  38           1HB      GLU  38  -4.130  -6.962  -9.309
  329    HB3  GLU  38           2HB      GLU  38  -3.637  -5.288  -9.543
  330    HG2  GLU  38           1HG      GLU  38  -1.407  -5.854  -9.864
  331    HG3  GLU  38           2HG      GLU  38  -1.600  -7.438  -9.115
  332    H    GLU  39           H        GLU  39  -5.421  -7.067  -6.788
  333    HA   GLU  39           HA       GLU  39  -7.142  -4.880  -6.761
  334    HB2  GLU  39           1HB      GLU  39  -7.936  -7.173  -6.591
  335    HB3  GLU  39           2HB      GLU  39  -7.137  -7.361  -5.035
  336    HG2  GLU  39           1HG      GLU  39  -9.470  -7.051  -4.653
  337    HG3  GLU  39           2HG      GLU  39  -8.623  -5.599  -4.122
  338    H    ALA  40           H        ALA  40  -5.401  -6.341  -4.033
  339    HA   ALA  40           HA       ALA  40  -6.306  -4.511  -2.104
  340    HB1  ALA  40           3HB      ALA  40  -5.406  -6.755  -1.590
  341    HB2  ALA  40           1HB      ALA  40  -4.685  -5.472  -0.617
  342    HB3  ALA  40           2HB      ALA  40  -3.791  -6.160  -1.975
  343    H    ILE  41           H        ILE  41  -3.726  -4.296  -4.403
  344    HA   ILE  41           HA       ILE  41  -2.124  -2.386  -3.070
  345    HB   ILE  41           HB       ILE  41  -2.445  -2.762  -6.051
  346   HG12  ILE  41          1HG1      ILE  41  -0.593  -4.104  -4.070
  347   HG13  ILE  41          2HG1      ILE  41  -1.915  -4.875  -4.942
  348   HG21  ILE  41          1HG2      ILE  41  -0.166  -1.846  -6.166
  349   HG22  ILE  41          2HG2      ILE  41  -0.194  -1.581  -4.423
  350   HG23  ILE  41          3HG2      ILE  41  -1.302  -0.692  -5.464
  351   HD11  ILE  41          3HD1      ILE  41   0.582  -3.729  -6.165
  352   HD12  ILE  41          1HD1      ILE  41  -0.743  -4.488  -7.045
  353   HD13  ILE  41          2HD1      ILE  41   0.224  -5.438  -5.916
  354    H    ARG  42           H        ARG  42  -4.650  -2.025  -5.551
  355    HA   ARG  42           HA       ARG  42  -4.754   0.829  -5.243
  356    HB2  ARG  42           1HB      ARG  42  -6.400  -1.178  -6.749
  357    HB3  ARG  42           2HB      ARG  42  -6.932   0.491  -6.604
  358    HG2  ARG  42           1HG      ARG  42  -5.006   1.294  -7.708
  359    HG3  ARG  42           2HG      ARG  42  -4.240  -0.294  -7.672
  360    HD2  ARG  42           1HD      ARG  42  -5.980  -1.161  -9.156
  361    HD3  ARG  42           2HD      ARG  42  -6.748   0.428  -9.186
  362    HE   ARG  42           HE       ARG  42  -4.750   1.270 -10.301
  363   HH11  ARG  42          1HH1      ARG  42  -5.299  -2.187 -10.300
  364   HH12  ARG  42          2HH1      ARG  42  -4.197  -2.497 -11.609
  365   HH21  ARG  42          1HH2      ARG  42  -3.331   0.886 -12.052
  366   HH22  ARG  42          2HH2      ARG  42  -3.094  -0.743 -12.624
  367    H    GLN  43           H        GLN  43  -6.372  -1.921  -3.888
  368    HA   GLN  43           HA       GLN  43  -8.564  -0.622  -2.698
  369    HB2  GLN  43           1HB      GLN  43  -8.188  -3.119  -2.957
  370    HB3  GLN  43           2HB      GLN  43  -7.113  -3.012  -1.567
  371    HG2  GLN  43           1HG      GLN  43  -8.918  -2.275  -0.160
  372    HG3  GLN  43           2HG      GLN  43 -10.011  -2.198  -1.540
  373   HE21  GLN  43          1HE2      GLN  43  -8.407  -4.257   0.734
  374   HE22  GLN  43          2HE2      GLN  43  -9.267  -5.708   0.339
  375    H    PHE  44           H        PHE  44  -5.206  -0.834  -1.820
  376    HA   PHE  44           HA       PHE  44  -5.648   0.299   0.805
  377    HB2  PHE  44           1HB      PHE  44  -3.796  -1.310   0.407
  378    HB3  PHE  44           2HB      PHE  44  -3.051  -0.147  -0.683
  379    HD1  PHE  44           HD1      PHE  44  -3.878  -0.882   2.814
  380    HD2  PHE  44           HD2      PHE  44  -1.877   1.761   0.148
  381    HE1  PHE  44           HE1      PHE  44  -2.715   0.147   4.716
  382    HE2  PHE  44           HE2      PHE  44  -0.704   2.795   2.050
  383    HZ   PHE  44           HZ       PHE  44  -1.123   1.986   4.337
  384    H    PHE  45           H        PHE  45  -4.184   1.319  -2.273
  385    HA   PHE  45           HA       PHE  45  -3.526   3.912  -1.316
  386    HB2  PHE  45           1HB      PHE  45  -3.353   2.472  -3.884
  387    HB3  PHE  45           2HB      PHE  45  -3.462   4.224  -4.002
  388    HD1  PHE  45           HD1      PHE  45  -1.737   2.017  -1.541
  389    HD2  PHE  45           HD2      PHE  45  -1.382   5.025  -4.531
  390    HE1  PHE  45           HE1      PHE  45   0.668   2.200  -1.070
  391    HE2  PHE  45           HE2      PHE  45   1.024   5.215  -4.063
  392    HZ   PHE  45           HZ       PHE  45   2.054   3.799  -2.339
  393    H    GLU  46           H        GLU  46  -5.882   2.982  -3.834
  394    HA   GLU  46           HA       GLU  46  -6.886   5.681  -3.829
  395    HB2  GLU  46           1HB      GLU  46  -7.615   3.267  -5.485
  396    HB3  GLU  46           2HB      GLU  46  -8.314   4.869  -5.707
  397    HG2  GLU  46           1HG      GLU  46  -6.079   5.769  -6.156
  398    HG3  GLU  46           2HG      GLU  46  -5.400   4.154  -5.966
  399    H    GLU  47           H        GLU  47  -7.644   2.884  -2.119
  400    HA   GLU  47           HA       GLU  47 -10.309   3.985  -1.516
  401    HB2  GLU  47           1HB      GLU  47  -9.376   1.113  -1.350
  402    HB3  GLU  47           2HB      GLU  47 -10.940   1.687  -0.785
  403    HG2  GLU  47           1HG      GLU  47 -11.440   2.441  -3.087
  404    HG3  GLU  47           2HG      GLU  47  -9.920   1.725  -3.614
  405    H    PHE  48           H        PHE  48  -7.678   4.674  -0.413
  406    HA   PHE  48           HA       PHE  48  -7.521   3.580   2.232
  407    HB2  PHE  48           1HB      PHE  48  -5.634   4.628   0.765
  408    HB3  PHE  48           2HB      PHE  48  -6.233   6.161   1.379
  409    HD1  PHE  48           HD1      PHE  48  -5.658   2.844   3.012
  410    HD2  PHE  48           HD2      PHE  48  -4.736   7.000   2.902
  411    HE1  PHE  48           HE1      PHE  48  -4.244   2.581   5.005
  412    HE2  PHE  48           HE2      PHE  48  -3.319   6.738   4.898
  413    HZ   PHE  48           HZ       PHE  48  -3.076   4.529   5.951
  414    H    GLU  49           H        GLU  49  -7.430   5.192   4.115
  415    HA   GLU  49           HA       GLU  49 -10.041   6.244   4.458
  416    HB2  GLU  49           1HB      GLU  49  -9.225   6.956   6.674
  417    HB3  GLU  49           2HB      GLU  49  -8.840   5.277   6.324
  418    HG2  GLU  49           1HG      GLU  49  -6.546   5.984   5.701
  419    HG3  GLU  49           2HG      GLU  49  -6.957   7.626   6.192
  420    H    GLN  50           H        GLN  50  -7.490   7.539   2.846
  421    HA   GLN  50           HA       GLN  50  -7.895  10.304   3.666
  422    HB2  GLN  50           1HB      GLN  50  -6.079   9.103   1.567
  423    HB3  GLN  50           2HB      GLN  50  -6.100  10.795   2.043
  424    HG2  GLN  50           1HG      GLN  50  -5.363  10.221   4.267
  425    HG3  GLN  50           2HG      GLN  50  -5.455   8.503   3.884
  426   HE21  GLN  50          1HE2      GLN  50  -4.399   8.935   1.182
  427   HE22  GLN  50          2HE2      GLN  50  -2.699   9.185   1.372
  428    H    ARG  51           H        ARG  51  -9.322   8.154   1.541
  429    HA   ARG  51           HA       ARG  51  -9.763   9.860  -0.671
  430    HB2  ARG  51           1HB      ARG  51  -9.818   7.399  -0.827
  431    HB3  ARG  51           2HB      ARG  51 -11.250   7.376   0.196
  432    HG2  ARG  51           1HG      ARG  51 -12.482   8.616  -1.458
  433    HG3  ARG  51           2HG      ARG  51 -11.047   8.719  -2.473
  434    HD2  ARG  51           1HD      ARG  51 -11.017   6.244  -2.602
  435    HD3  ARG  51           2HD      ARG  51 -12.528   6.211  -1.693
  436    HE   ARG  51           HE       ARG  51 -13.261   7.742  -3.709
  437   HH11  ARG  51          1HH1      ARG  51 -11.262   4.876  -3.802
  438   HH12  ARG  51          2HH1      ARG  51 -11.786   4.395  -5.386
  439   HH21  ARG  51          1HH2      ARG  51 -13.935   7.146  -5.800
  440   HH22  ARG  51          2HH2      ARG  51 -13.338   5.675  -6.514
  441    H    LYS  52           H        LYS  52 -11.206  11.403  -0.885
  442    HA   LYS  52           HA       LYS  52 -13.103  11.888   1.268
  443    HB2  LYS  52           1HB      LYS  52 -13.447  14.052  -0.162
  444    HB3  LYS  52           2HB      LYS  52 -11.992  13.867   0.807
  445    HG2  LYS  52           1HG      LYS  52 -10.650  13.475  -1.041
  446    HG3  LYS  52           2HG      LYS  52 -12.015  13.011  -2.058
  447    HD2  LYS  52           1HD      LYS  52 -11.850  15.793  -0.975
  448    HD3  LYS  52           2HD      LYS  52 -10.869  15.341  -2.370
  449    HE2  LYS  52           1HE      LYS  52 -12.995  16.348  -3.048
  450    HE3  LYS  52           2HE      LYS  52 -12.868  14.677  -3.586
  451    HZ1  LYS  52           3HZ      LYS  52 -14.329  15.537  -1.150
  452    HZ2  LYS  52           1HZ      LYS  52 -14.318  13.984  -1.837
  453    HZ3  LYS  52           2HZ      LYS  52 -15.065  15.274  -2.652
  Start of MODEL   30
    1    H1   MET   1           1H       MET   1  -6.041  -7.121   8.321
    2    H2   MET   1           2H       MET   1  -7.581  -6.974   7.625
    3    H3   MET   1           3H       MET   1  -6.190  -6.742   6.679
    4    HA   MET   1           HA       MET   1  -5.571  -9.012   6.876
    5    HB2  MET   1           1HB      MET   1  -8.054  -9.259   8.599
    6    HB3  MET   1           2HB      MET   1  -7.093 -10.614   8.032
    7    HG2  MET   1           1HG      MET   1  -6.513 -10.205  10.285
    8    HG3  MET   1           2HG      MET   1  -5.158  -9.678   9.287
    9    HE1  MET   1           3HE      MET   1  -8.605  -7.889  10.016
   10    HE2  MET   1           1HE      MET   1  -8.156  -6.836  11.358
   11    HE3  MET   1           2HE      MET   1  -8.154  -8.588  11.570
   12    H    LYS   2           H        LYS   2  -6.643 -10.807   5.633
   13    HA   LYS   2           HA       LYS   2  -8.070 -11.716   4.076
   14    HB2  LYS   2           1HB      LYS   2 -10.077  -9.854   5.371
   15    HB3  LYS   2           2HB      LYS   2 -10.461 -11.260   4.384
   16    HG2  LYS   2           1HG      LYS   2 -10.111 -12.693   6.070
   17    HG3  LYS   2           2HG      LYS   2  -8.677 -11.833   6.632
   18    HD2  LYS   2           1HD      LYS   2 -10.285 -11.676   8.366
   19    HD3  LYS   2           2HD      LYS   2 -10.224 -10.095   7.589
   20    HE2  LYS   2           1HE      LYS   2 -12.509 -10.676   8.005
   21    HE3  LYS   2           2HE      LYS   2 -12.220 -10.725   6.265
   22    HZ1  LYS   2           3HZ      LYS   2 -13.516 -12.630   7.001
   23    HZ2  LYS   2           1HZ      LYS   2 -12.286 -13.084   8.075
   24    HZ3  LYS   2           2HZ      LYS   2 -12.017 -13.132   6.398
   25    H    GLN   3           H        GLN   3  -6.594  -9.237   3.418
   26    HA   GLN   3           HA       GLN   3  -7.976  -8.644   0.928
   27    HB2  GLN   3           1HB      GLN   3  -7.544  -6.659   3.104
   28    HB3  GLN   3           2HB      GLN   3  -7.244  -6.121   1.456
   29    HG2  GLN   3           1HG      GLN   3  -9.491  -6.627   0.820
   30    HG3  GLN   3           2HG      GLN   3  -9.809  -7.397   2.373
   31   HE21  GLN   3          1HE2      GLN   3  -7.956  -4.466   2.083
   32   HE22  GLN   3          2HE2      GLN   3  -9.124  -3.416   2.805
   33    H    TRP   4           H        TRP   4  -5.231  -7.529   2.892
   34    HA   TRP   4           HA       TRP   4  -3.435  -8.667   0.899
   35    HB2  TRP   4           1HB      TRP   4  -1.867  -6.679   1.301
   36    HB3  TRP   4           2HB      TRP   4  -3.245  -6.411   0.251
   37    HD1  TRP   4           HD1      TRP   4  -5.218  -5.963   2.957
   38    HE1  TRP   4           HE1      TRP   4  -5.163  -3.619   4.019
   39    HE3  TRP   4           HE3      TRP   4  -0.788  -4.319   1.026
   40    HZ2  TRP   4           HZ2      TRP   4  -3.471  -1.380   4.022
   41    HZ3  TRP   4           HZ3      TRP   4  -0.029  -2.060   1.596
   42    HH2  TRP   4           HH2      TRP   4  -1.345  -0.616   3.064
   43    H    SER   5           H        SER   5  -1.143  -8.808   1.871
   44    HA   SER   5           HA       SER   5  -1.324 -10.542   4.008
   45    HB2  SER   5           1HB      SER   5   1.159  -8.995   3.253
   46    HB3  SER   5           2HB      SER   5   1.072 -10.583   4.018
   47    HG   SER   5           HG       SER   5  -0.011 -11.290   2.052
   48    H    GLU   6           H        GLU   6  -1.328 -10.375   6.114
   49    HA   GLU   6           HA       GLU   6  -2.290  -8.173   7.408
   50    HB2  GLU   6           1HB      GLU   6  -2.418 -10.479   8.216
   51    HB3  GLU   6           2HB      GLU   6  -0.701 -10.456   8.579
   52    HG2  GLU   6           1HG      GLU   6  -1.070  -8.745  10.265
   53    HG3  GLU   6           2HG      GLU   6  -2.794  -8.733   9.885
   54    H    ASN   7           H        ASN   7   1.121  -9.186   7.289
   55    HA   ASN   7           HA       ASN   7   1.978  -7.070   9.008
   56    HB2  ASN   7           1HB      ASN   7   3.418  -9.022   7.261
   57    HB3  ASN   7           2HB      ASN   7   4.286  -7.737   8.094
   58   HD21  ASN   7          1HD2      ASN   7   2.500  -7.799  10.405
   59   HD22  ASN   7          2HD2      ASN   7   2.938  -9.217  11.294
   60    H    VAL   8           H        VAL   8   1.514  -7.414   5.607
   61    HA   VAL   8           HA       VAL   8   3.156  -5.240   4.794
   62    HB   VAL   8           HB       VAL   8   0.769  -6.442   3.382
   63   HG11  VAL   8          1HG1      VAL   8   1.666  -5.477   1.379
   64   HG12  VAL   8          2HG1      VAL   8   3.069  -4.864   2.250
   65   HG13  VAL   8          3HG1      VAL   8   1.466  -4.199   2.579
   66   HG21  VAL   8          3HG2      VAL   8   2.419  -8.143   3.841
   67   HG22  VAL   8          1HG2      VAL   8   3.703  -7.113   3.209
   68   HG23  VAL   8          2HG2      VAL   8   2.458  -7.731   2.128
   69    H    GLU   9           H        GLU   9  -0.185  -5.624   5.744
   70    HA   GLU   9           HA       GLU   9  -1.294  -3.217   5.007
   71    HB2  GLU   9           1HB      GLU   9  -1.740  -4.747   7.580
   72    HB3  GLU   9           2HB      GLU   9  -2.836  -3.538   6.912
   73    HG2  GLU   9           1HG      GLU   9  -3.086  -4.989   4.901
   74    HG3  GLU   9           2HG      GLU   9  -2.133  -6.217   5.735
   75    H    GLU  10           H        GLU  10   0.411  -3.972   8.008
   76    HA   GLU  10           HA       GLU  10   0.332  -1.362   9.087
   77    HB2  GLU  10           1HB      GLU  10   0.723  -2.990  10.675
   78    HB3  GLU  10           2HB      GLU  10   1.837  -3.879   9.646
   79    HG2  GLU  10           1HG      GLU  10   3.532  -2.160   9.986
   80    HG3  GLU  10           2HG      GLU  10   2.417  -1.268  11.027
   81    H    LYS  11           H        LYS  11   2.859  -3.145   7.372
   82    HA   LYS  11           HA       LYS  11   4.820  -1.150   7.759
   83    HB2  LYS  11           1HB      LYS  11   5.229  -3.570   7.459
   84    HB3  LYS  11           2HB      LYS  11   4.800  -3.404   5.761
   85    HG2  LYS  11           1HG      LYS  11   6.676  -1.956   5.376
   86    HG3  LYS  11           2HG      LYS  11   7.060  -1.934   7.097
   87    HD2  LYS  11           1HD      LYS  11   7.113  -4.377   5.323
   88    HD3  LYS  11           2HD      LYS  11   8.528  -3.464   5.850
   89    HE2  LYS  11           1HE      LYS  11   7.971  -3.975   8.185
   90    HE3  LYS  11           2HE      LYS  11   6.581  -4.915   7.642
   91    HZ1  LYS  11           3HZ      LYS  11   8.055  -6.429   6.516
   92    HZ2  LYS  11           1HZ      LYS  11   8.509  -6.305   8.144
   93    HZ3  LYS  11           2HZ      LYS  11   9.410  -5.504   6.951
   94    H    LEU  12           H        LEU  12   2.720  -1.929   5.000
   95    HA   LEU  12           HA       LEU  12   3.872  -0.113   3.164
   96    HB2  LEU  12           1HB      LEU  12   1.606  -1.846   3.276
   97    HB3  LEU  12           2HB      LEU  12   1.066  -0.274   2.727
   98    HG   LEU  12           HG       LEU  12   1.603  -1.808   0.879
   99   HD11  LEU  12          1HD1      LEU  12   1.772   0.599   0.555
  100   HD12  LEU  12          2HD1      LEU  12   2.952  -0.280  -0.418
  101   HD13  LEU  12          3HD1      LEU  12   3.463   0.543   1.055
  102   HD21  LEU  12          3HD2      LEU  12   4.504  -1.529   1.434
  103   HD22  LEU  12          1HD2      LEU  12   3.637  -2.760   0.521
  104   HD23  LEU  12          2HD2      LEU  12   3.592  -2.772   2.287
  105    H    LYS  13           H        LYS  13   1.220   0.190   5.455
  106    HA   LYS  13           HA       LYS  13   0.326   2.747   5.027
  107    HB2  LYS  13           1HB      LYS  13  -0.780   1.460   6.650
  108    HB3  LYS  13           2HB      LYS  13   0.707   1.109   7.513
  109    HG2  LYS  13           1HG      LYS  13   0.755   3.624   8.034
  110    HG3  LYS  13           2HG      LYS  13  -0.943   3.603   7.545
  111    HD2  LYS  13           1HD      LYS  13  -1.466   1.960   9.217
  112    HD3  LYS  13           2HD      LYS  13   0.237   1.772   9.630
  113    HE2  LYS  13           1HE      LYS  13   0.271   4.139  10.368
  114    HE3  LYS  13           2HE      LYS  13  -1.463   4.226  10.050
  115    HZ1  LYS  13           3HZ      LYS  13  -1.121   3.799  12.357
  116    HZ2  LYS  13           1HZ      LYS  13  -0.096   2.489  12.029
  117    HZ3  LYS  13           2HZ      LYS  13  -1.746   2.388  11.657
  118    H    GLU  14           H        GLU  14   3.032   1.770   7.090
  119    HA   GLU  14           HA       GLU  14   3.637   4.514   7.715
  120    HB2  GLU  14           1HB      GLU  14   5.069   1.973   8.489
  121    HB3  GLU  14           2HB      GLU  14   5.324   3.565   9.199
  122    HG2  GLU  14           1HG      GLU  14   2.998   3.583   9.970
  123    HG3  GLU  14           2HG      GLU  14   2.769   1.973   9.290
  124    H    PHE  15           H        PHE  15   4.683   2.209   5.399
  125    HA   PHE  15           HA       PHE  15   7.275   3.338   4.940
  126    HB2  PHE  15           1HB      PHE  15   6.642   0.967   4.473
  127    HB3  PHE  15           2HB      PHE  15   5.606   1.539   3.177
  128    HD1  PHE  15           HD1      PHE  15   9.105   2.276   4.232
  129    HD2  PHE  15           HD2      PHE  15   6.484   1.024   1.128
  130    HE1  PHE  15           HE1      PHE  15  11.014   2.131   2.689
  131    HE2  PHE  15           HE2      PHE  15   8.388   0.867  -0.420
  132    HZ   PHE  15           HZ       PHE  15  10.655   1.426   0.356
  133    H    VAL  16           H        VAL  16   4.062   4.060   3.943
  134    HA   VAL  16           HA       VAL  16   5.034   5.809   1.817
  135    HB   VAL  16           HB       VAL  16   2.203   5.188   2.668
  136   HG11  VAL  16          1HG1      VAL  16   3.207   6.768   0.300
  137   HG12  VAL  16          2HG1      VAL  16   2.364   7.425   1.703
  138   HG13  VAL  16          3HG1      VAL  16   1.528   6.324   0.608
  139   HG21  VAL  16          3HG2      VAL  16   3.847   4.267   0.315
  140   HG22  VAL  16          1HG2      VAL  16   2.123   3.962   0.524
  141   HG23  VAL  16          2HG2      VAL  16   3.283   3.283   1.663
  142    H    LYS  17           H        LYS  17   3.373   5.977   4.943
  143    HA   LYS  17           HA       LYS  17   3.133   8.851   4.752
  144    HB2  LYS  17           1HB      LYS  17   2.477   7.024   7.065
  145    HB3  LYS  17           2HB      LYS  17   2.025   8.717   6.929
  146    HG2  LYS  17           1HG      LYS  17   1.087   6.483   5.143
  147    HG3  LYS  17           2HG      LYS  17   0.154   7.245   6.427
  148    HD2  LYS  17           1HD      LYS  17   1.214   8.666   3.984
  149    HD3  LYS  17           2HD      LYS  17  -0.440   8.090   4.182
  150    HE2  LYS  17           1HE      LYS  17   0.875  10.048   6.061
  151    HE3  LYS  17           2HE      LYS  17  -0.079  10.534   4.662
  152    HZ1  LYS  17           3HZ      LYS  17  -1.300  10.458   6.825
  153    HZ2  LYS  17           1HZ      LYS  17  -1.140   8.772   6.799
  154    HZ3  LYS  17           2HZ      LYS  17  -2.011   9.564   5.573
  155    H    ARG  18           H        ARG  18   4.863   6.600   6.908
  156    HA   ARG  18           HA       ARG  18   6.079   8.859   8.268
  157    HB2  ARG  18           1HB      ARG  18   6.469   5.908   8.792
  158    HB3  ARG  18           2HB      ARG  18   6.893   7.236   9.866
  159    HG2  ARG  18           1HG      ARG  18   4.546   7.805  10.126
  160    HG3  ARG  18           2HG      ARG  18   4.097   6.519   9.008
  161    HD2  ARG  18           1HD      ARG  18   3.749   5.490  11.026
  162    HD3  ARG  18           2HD      ARG  18   5.410   5.006  10.682
  163    HE   ARG  18           HE       ARG  18   5.643   7.327  12.126
  164   HH11  ARG  18          1HH1      ARG  18   4.340   4.116  12.638
  165   HH12  ARG  18          2HH1      ARG  18   4.328   4.262  14.371
  166   HH21  ARG  18          1HH2      ARG  18   5.676   7.496  14.418
  167   HH22  ARG  18          2HH2      ARG  18   5.093   6.170  15.379
  168    H    HIS  19           H        HIS  19   6.779   6.973   5.619
  169    HA   HIS  19           HA       HIS  19   9.667   7.329   5.924
  170    HB2  HIS  19           1HB      HIS  19   7.992   5.548   4.202
  171    HB3  HIS  19           2HB      HIS  19   9.616   5.975   3.673
  172    HD1  HIS  19           HD1      HIS  19  11.315   4.310   4.361
  173    HD2  HIS  19           HD2      HIS  19   8.124   4.491   7.026
  174    HE1  HIS  19           HE1      HIS  19  11.760   2.554   6.130
  175    H    GLN  20           H        GLN  20   9.900   7.188   2.928
  176    HA   GLN  20           HA       GLN  20   9.955  10.074   2.632
  177    HB2  GLN  20           1HB      GLN  20  11.028   7.884   0.847
  178    HB3  GLN  20           2HB      GLN  20  11.338   9.606   0.657
  179    HG2  GLN  20           1HG      GLN  20  12.170   7.899   2.992
  180    HG3  GLN  20           2HG      GLN  20  13.219   8.498   1.706
  181   HE21  GLN  20          1HE2      GLN  20  11.890  11.094   1.605
  182   HE22  GLN  20          2HE2      GLN  20  12.413  11.958   3.012
  183    H    ARG  21           H        ARG  21   7.466   8.233   2.268
  184    HA   ARG  21           HA       ARG  21   5.593   8.166   0.984
  185    HB2  ARG  21           1HB      ARG  21   5.659  10.614   1.250
  186    HB3  ARG  21           2HB      ARG  21   6.712  10.745  -0.145
  187    HG2  ARG  21           1HG      ARG  21   4.686  11.296  -1.053
  188    HG3  ARG  21           2HG      ARG  21   4.757   9.567  -1.396
  189    HD2  ARG  21           1HD      ARG  21   2.592   9.966  -0.558
  190    HD3  ARG  21           2HD      ARG  21   3.496   9.223   0.760
  191    HE   ARG  21           HE       ARG  21   3.788  11.911   1.153
  192   HH11  ARG  21          1HH1      ARG  21   1.035   9.769   0.824
  193   HH12  ARG  21          2HH1      ARG  21   0.008  10.720   1.847
  194   HH21  ARG  21          1HH2      ARG  21   2.429  13.184   2.479
  195   HH22  ARG  21          2HH2      ARG  21   0.796  12.662   2.788
  196    H    ILE  22           H        ILE  22   6.275   6.281  -0.097
  197    HA   ILE  22           HA       ILE  22   7.847   6.480  -2.503
  198    HB   ILE  22           HB       ILE  22   8.015   4.523  -0.948
  199   HG12  ILE  22          1HG1      ILE  22   7.246   3.811  -3.784
  200   HG13  ILE  22          2HG1      ILE  22   8.807   4.466  -3.300
  201   HG21  ILE  22          1HG2      ILE  22   6.294   2.692  -1.379
  202   HG22  ILE  22          2HG2      ILE  22   5.251   3.979  -1.985
  203   HG23  ILE  22          3HG2      ILE  22   5.821   4.010  -0.316
  204   HD11  ILE  22          3HD1      ILE  22   8.914   2.067  -3.609
  205   HD12  ILE  22          1HD1      ILE  22   7.640   1.844  -2.411
  206   HD13  ILE  22          2HD1      ILE  22   9.204   2.500  -1.923
  207    H    THR  23           H        THR  23   7.183   6.164  -4.602
  208    HA   THR  23           HA       THR  23   4.365   6.700  -5.091
  209    HB   THR  23           HB       THR  23   5.178   6.944  -7.495
  210    HG1  THR  23           HG1      THR  23   7.230   6.598  -7.906
  211   HG21  THR  23          3HG2      THR  23   4.744   8.868  -6.058
  212   HG22  THR  23          1HG2      THR  23   6.159   9.158  -7.074
  213   HG23  THR  23          2HG2      THR  23   6.365   8.736  -5.374
  214    H    GLN  24           H        GLN  24   3.450   5.638  -7.125
  215    HA   GLN  24           HA       GLN  24   2.910   2.985  -6.531
  216    HB2  GLN  24           1HB      GLN  24   1.427   4.424  -7.834
  217    HB3  GLN  24           2HB      GLN  24   2.574   4.427  -9.164
  218    HG2  GLN  24           1HG      GLN  24   2.227   2.060  -9.512
  219    HG3  GLN  24           2HG      GLN  24   1.155   1.989  -8.113
  220   HE21  GLN  24          1HE2      GLN  24   0.647   1.339 -10.930
  221   HE22  GLN  24          2HE2      GLN  24  -0.694   2.337 -11.398
  222    H    GLU  25           H        GLU  25   5.360   4.307  -8.647
  223    HA   GLU  25           HA       GLU  25   6.079   2.227 -10.261
  224    HB2  GLU  25           1HB      GLU  25   7.114   4.552 -10.037
  225    HB3  GLU  25           2HB      GLU  25   8.097   3.886  -8.748
  226    HG2  GLU  25           1HG      GLU  25   8.088   2.834 -11.566
  227    HG3  GLU  25           2HG      GLU  25   9.218   4.042 -10.964
  228    H    GLU  26           H        GLU  26   7.780   2.821  -7.184
  229    HA   GLU  26           HA       GLU  26   8.731   0.095  -7.214
  230    HB2  GLU  26           1HB      GLU  26  10.131   2.106  -6.587
  231    HB3  GLU  26           2HB      GLU  26   9.208   2.185  -5.092
  232    HG2  GLU  26           1HG      GLU  26   9.955  -0.049  -4.498
  233    HG3  GLU  26           2HG      GLU  26  10.861  -0.155  -6.006
  234    H    LEU  27           H        LEU  27   6.159   1.856  -5.796
  235    HA   LEU  27           HA       LEU  27   5.733   0.264  -3.495
  236    HB2  LEU  27           1HB      LEU  27   4.702   2.511  -3.958
  237    HB3  LEU  27           2HB      LEU  27   3.642   1.730  -5.111
  238    HG   LEU  27           HG       LEU  27   3.679   0.827  -2.245
  239   HD11  LEU  27          1HD1      LEU  27   1.832   2.405  -1.820
  240   HD12  LEU  27          2HD1      LEU  27   2.136   3.148  -3.391
  241   HD13  LEU  27          3HD1      LEU  27   3.367   3.217  -2.129
  242   HD21  LEU  27          3HD2      LEU  27   1.330   0.259  -2.762
  243   HD22  LEU  27          1HD2      LEU  27   2.468  -0.567  -3.830
  244   HD23  LEU  27          2HD2      LEU  27   1.574   0.838  -4.411
  245    H    HIS  28           H        HIS  28   4.598   0.026  -6.847
  246    HA   HIS  28           HA       HIS  28   2.925  -2.228  -6.360
  247    HB2  HIS  28           1HB      HIS  28   2.765  -0.646  -8.346
  248    HB3  HIS  28           2HB      HIS  28   4.154  -1.495  -9.019
  249    HD1  HIS  28           HD1      HIS  28   3.596  -4.353  -8.847
  250    HD2  HIS  28           HD2      HIS  28   0.514  -1.624  -9.410
  251    HE1  HIS  28           HE1      HIS  28   1.646  -5.670  -9.739
  252    H    GLN  29           H        GLN  29   6.261  -1.834  -7.499
  253    HA   GLN  29           HA       GLN  29   6.834  -4.549  -7.924
  254    HB2  GLN  29           1HB      GLN  29   8.307  -2.591  -8.523
  255    HB3  GLN  29           2HB      GLN  29   8.729  -2.459  -6.825
  256    HG2  GLN  29           1HG      GLN  29   9.182  -4.998  -8.345
  257    HG3  GLN  29           2HG      GLN  29  10.341  -3.675  -8.397
  258   HE21  GLN  29          1HE2      GLN  29  10.584  -6.399  -7.349
  259   HE22  GLN  29          2HE2      GLN  29  11.070  -6.222  -5.696
  260    H    TYR  30           H        TYR  30   6.871  -2.551  -5.041
  261    HA   TYR  30           HA       TYR  30   7.903  -4.522  -3.277
  262    HB2  TYR  30           1HB      TYR  30   7.804  -1.936  -3.042
  263    HB3  TYR  30           2HB      TYR  30   6.176  -2.209  -2.437
  264    HD1  TYR  30           HD1      TYR  30   9.343  -4.091  -1.854
  265    HD2  TYR  30           HD2      TYR  30   6.221  -1.750  -0.164
  266    HE1  TYR  30           HE1      TYR  30  10.291  -4.456   0.385
  267    HE2  TYR  30           HE2      TYR  30   7.155  -2.115   2.083
  268    HH   TYR  30           HH       TYR  30   8.613  -3.753   3.234
  269    H    ALA  31           H        ALA  31   4.763  -3.883  -4.583
  270    HA   ALA  31           HA       ALA  31   3.181  -4.990  -2.515
  271    HB1  ALA  31           3HB      ALA  31   2.237  -3.545  -4.245
  272    HB2  ALA  31           1HB      ALA  31   1.405  -5.100  -4.202
  273    HB3  ALA  31           2HB      ALA  31   2.586  -4.765  -5.468
  274    H    GLN  32           H        GLN  32   4.296  -6.357  -5.613
  275    HA   GLN  32           HA       GLN  32   3.409  -8.987  -4.859
  276    HB2  GLN  32           1HB      GLN  32   4.995  -7.989  -7.215
  277    HB3  GLN  32           2HB      GLN  32   4.557  -9.678  -6.982
  278    HG2  GLN  32           1HG      GLN  32   2.181  -9.028  -6.948
  279    HG3  GLN  32           2HG      GLN  32   2.659  -7.364  -7.280
  280   HE21  GLN  32          1HE2      GLN  32   1.444  -7.400  -9.188
  281   HE22  GLN  32          2HE2      GLN  32   2.002  -8.216 -10.609
  282    H    ARG  33           H        ARG  33   6.135  -7.120  -4.261
  283    HA   ARG  33           HA       ARG  33   8.052  -9.194  -3.888
  284    HB2  ARG  33           1HB      ARG  33   8.536  -6.722  -4.148
  285    HB3  ARG  33           2HB      ARG  33   7.912  -6.487  -2.529
  286    HG2  ARG  33           1HG      ARG  33  10.236  -8.306  -3.093
  287    HG3  ARG  33           2HG      ARG  33  10.432  -6.577  -2.817
  288    HD2  ARG  33           1HD      ARG  33   9.164  -6.931  -0.649
  289    HD3  ARG  33           2HD      ARG  33   9.381  -8.657  -0.918
  290    HE   ARG  33           HE       ARG  33  11.691  -6.827  -0.772
  291   HH11  ARG  33          1HH1      ARG  33  10.000  -9.717   0.269
  292   HH12  ARG  33          2HH1      ARG  33  11.246 -10.201   1.373
  293   HH21  ARG  33          1HH2      ARG  33  13.333  -7.463   0.709
  294   HH22  ARG  33          2HH2      ARG  33  13.138  -8.939   1.615
  295    H    LEU  34           H        LEU  34   5.510  -7.745  -1.947
  296    HA   LEU  34           HA       LEU  34   6.337  -9.337   0.368
  297    HB2  LEU  34           1HB      LEU  34   4.368  -7.059   0.203
  298    HB3  LEU  34           2HB      LEU  34   4.814  -7.913   1.667
  299    HG   LEU  34           HG       LEU  34   6.621  -6.180  -0.018
  300   HD11  LEU  34          1HD1      LEU  34   6.661  -4.718   1.878
  301   HD12  LEU  34          2HD1      LEU  34   5.687  -5.841   2.823
  302   HD13  LEU  34          3HD1      LEU  34   4.982  -5.020   1.431
  303   HD21  LEU  34          3HD2      LEU  34   7.857  -8.093   0.849
  304   HD22  LEU  34          1HD2      LEU  34   7.252  -7.760   2.473
  305   HD23  LEU  34          2HD2      LEU  34   8.330  -6.611   1.680
  306    H    GLY  35           H        GLY  35   3.757  -9.074  -1.984
  307    HA2  GLY  35           1HA      GLY  35   2.674 -11.292  -2.314
  308    HA3  GLY  35           2HA      GLY  35   2.468 -11.341  -0.583
  309    H    LEU  36           H        LEU  36   1.842  -8.658  -2.844
  310    HA   LEU  36           HA       LEU  36  -0.838  -8.533  -1.658
  311    HB2  LEU  36           1HB      LEU  36   0.618  -6.358  -3.150
  312    HB3  LEU  36           2HB      LEU  36  -0.874  -6.204  -2.243
  313    HG   LEU  36           HG       LEU  36   1.886  -6.683  -1.127
  314   HD11  LEU  36          1HD1      LEU  36   1.393  -4.385  -1.697
  315   HD12  LEU  36          2HD1      LEU  36   1.408  -4.582   0.056
  316   HD13  LEU  36          3HD1      LEU  36  -0.127  -4.461  -0.806
  317   HD21  LEU  36          3HD2      LEU  36  -0.800  -6.823   0.237
  318   HD22  LEU  36          1HD2      LEU  36   0.739  -6.675   1.087
  319   HD23  LEU  36          2HD2      LEU  36   0.407  -8.101   0.107
  320    H    ASN  37           H        ASN  37  -2.638  -8.514  -2.815
  321    HA   ASN  37           HA       ASN  37  -2.502  -8.780  -5.721
  322    HB2  ASN  37           1HB      ASN  37  -5.023  -9.144  -5.450
  323    HB3  ASN  37           2HB      ASN  37  -3.971 -10.396  -4.807
  324   HD21  ASN  37          1HD2      ASN  37  -4.460  -7.317  -3.148
  325   HD22  ASN  37          2HD2      ASN  37  -5.367  -7.994  -1.825
  326    H    GLU  38           H        GLU  38  -4.109  -7.442  -6.997
  327    HA   GLU  38           HA       GLU  38  -3.445  -4.734  -6.402
  328    HB2  GLU  38           1HB      GLU  38  -3.701  -5.863  -8.716
  329    HB3  GLU  38           2HB      GLU  38  -5.415  -5.518  -8.528
  330    HG2  GLU  38           1HG      GLU  38  -4.831  -3.124  -8.187
  331    HG3  GLU  38           2HG      GLU  38  -3.156  -3.530  -8.563
  332    H    GLU  39           H        GLU  39  -6.103  -6.682  -5.522
  333    HA   GLU  39           HA       GLU  39  -8.222  -4.927  -5.323
  334    HB2  GLU  39           1HB      GLU  39  -8.385  -7.288  -4.723
  335    HB3  GLU  39           2HB      GLU  39  -7.326  -7.036  -3.344
  336    HG2  GLU  39           1HG      GLU  39  -9.576  -7.181  -2.563
  337    HG3  GLU  39           2HG      GLU  39  -9.023  -5.516  -2.377
  338    H    ALA  40           H        ALA  40  -5.649  -5.508  -2.981
  339    HA   ALA  40           HA       ALA  40  -6.478  -3.396  -1.249
  340    HB1  ALA  40           3HB      ALA  40  -5.365  -5.396  -0.408
  341    HB2  ALA  40           1HB      ALA  40  -4.471  -3.937   0.015
  342    HB3  ALA  40           2HB      ALA  40  -3.907  -4.963  -1.304
  343    H    ILE  41           H        ILE  41  -4.087  -3.792  -3.787
  344    HA   ILE  41           HA       ILE  41  -2.552  -1.507  -3.269
  345    HB   ILE  41           HB       ILE  41  -3.083  -2.748  -5.971
  346   HG12  ILE  41          1HG1      ILE  41  -0.877  -3.358  -3.988
  347   HG13  ILE  41          2HG1      ILE  41  -2.264  -4.397  -4.297
  348   HG21  ILE  41          1HG2      ILE  41  -2.052  -0.536  -6.087
  349   HG22  ILE  41          2HG2      ILE  41  -0.918  -1.791  -6.589
  350   HG23  ILE  41          3HG2      ILE  41  -0.778  -1.066  -4.986
  351   HD11  ILE  41          3HD1      ILE  41  -1.529  -4.682  -6.611
  352   HD12  ILE  41          1HD1      ILE  41  -0.292  -5.194  -5.460
  353   HD13  ILE  41          2HD1      ILE  41  -0.138  -3.644  -6.288
  354    H    ARG  42           H        ARG  42  -5.249  -2.029  -5.498
  355    HA   ARG  42           HA       ARG  42  -5.523   0.587  -6.448
  356    HB2  ARG  42           1HB      ARG  42  -6.602  -1.143  -7.625
  357    HB3  ARG  42           2HB      ARG  42  -7.407  -1.742  -6.184
  358    HG2  ARG  42           1HG      ARG  42  -8.770   0.334  -6.167
  359    HG3  ARG  42           2HG      ARG  42  -8.019   0.773  -7.703
  360    HD2  ARG  42           1HD      ARG  42 -10.195  -0.311  -8.038
  361    HD3  ARG  42           2HD      ARG  42  -8.877  -1.254  -8.732
  362    HE   ARG  42           HE       ARG  42 -10.124  -1.894  -6.125
  363   HH11  ARG  42          1HH1      ARG  42  -8.777  -2.877  -9.208
  364   HH12  ARG  42          2HH1      ARG  42  -9.023  -4.568  -8.925
  365   HH21  ARG  42          1HH2      ARG  42 -10.454  -4.126  -5.742
  366   HH22  ARG  42          2HH2      ARG  42  -9.981  -5.284  -6.952
  367    H    GLN  43           H        GLN  43  -6.975  -1.035  -3.666
  368    HA   GLN  43           HA       GLN  43  -8.787   1.047  -3.023
  369    HB2  GLN  43           1HB      GLN  43  -8.908  -1.371  -2.291
  370    HB3  GLN  43           2HB      GLN  43  -7.650  -0.999  -1.120
  371    HG2  GLN  43           1HG      GLN  43  -9.095   0.653  -0.068
  372    HG3  GLN  43           2HG      GLN  43 -10.357   0.307  -1.252
  373   HE21  GLN  43          1HE2      GLN  43 -11.436  -1.677  -1.160
  374   HE22  GLN  43          2HE2      GLN  43 -11.433  -2.647   0.274
  375    H    PHE  44           H        PHE  44  -5.468   0.396  -2.189
  376    HA   PHE  44           HA       PHE  44  -5.312   2.204   0.002
  377    HB2  PHE  44           1HB      PHE  44  -3.775   0.240  -0.446
  378    HB3  PHE  44           2HB      PHE  44  -3.015   1.216  -1.697
  379    HD1  PHE  44           HD1      PHE  44  -1.629   3.137  -1.105
  380    HD2  PHE  44           HD2      PHE  44  -3.448   0.719   1.889
  381    HE1  PHE  44           HE1      PHE  44  -0.156   4.134   0.592
  382    HE2  PHE  44           HE2      PHE  44  -1.971   1.707   3.590
  383    HZ   PHE  44           HZ       PHE  44  -0.320   3.418   2.940
  384    H    PHE  45           H        PHE  45  -5.002   2.561  -3.453
  385    HA   PHE  45           HA       PHE  45  -3.915   5.250  -3.152
  386    HB2  PHE  45           1HB      PHE  45  -4.501   3.535  -5.557
  387    HB3  PHE  45           2HB      PHE  45  -4.083   5.238  -5.703
  388    HD1  PHE  45           HD1      PHE  45  -1.933   5.818  -4.100
  389    HD2  PHE  45           HD2      PHE  45  -2.782   2.101  -5.987
  390    HE1  PHE  45           HE1      PHE  45   0.459   5.253  -4.051
  391    HE2  PHE  45           HE2      PHE  45  -0.388   1.527  -5.937
  392    HZ   PHE  45           HZ       PHE  45   1.232   3.105  -4.966
  393    H    GLU  46           H        GLU  46  -6.794   3.692  -4.533
  394    HA   GLU  46           HA       GLU  46  -7.937   6.116  -5.436
  395    HB2  GLU  46           1HB      GLU  46  -9.174   3.397  -5.007
  396    HB3  GLU  46           2HB      GLU  46  -9.976   4.734  -5.819
  397    HG2  GLU  46           1HG      GLU  46  -7.429   3.397  -6.710
  398    HG3  GLU  46           2HG      GLU  46  -9.026   3.152  -7.404
  399    H    GLU  47           H        GLU  47  -8.955   3.995  -2.721
  400    HA   GLU  47           HA       GLU  47 -10.739   6.144  -1.838
  401    HB2  GLU  47           1HB      GLU  47 -11.503   3.724  -2.112
  402    HB3  GLU  47           2HB      GLU  47 -10.556   3.365  -0.675
  403    HG2  GLU  47           1HG      GLU  47 -11.893   4.962   0.606
  404    HG3  GLU  47           2HG      GLU  47 -12.847   5.315  -0.833
  405    H    PHE  48           H        PHE  48  -7.919   6.444  -1.503
  406    HA   PHE  48           HA       PHE  48  -7.397   6.016   1.332
  407    HB2  PHE  48           1HB      PHE  48  -5.734   5.724  -0.648
  408    HB3  PHE  48           2HB      PHE  48  -5.603   7.475  -0.591
  409    HD1  PHE  48           HD1      PHE  48  -5.733   4.848   2.067
  410    HD2  PHE  48           HD2      PHE  48  -3.580   8.064   0.299
  411    HE1  PHE  48           HE1      PHE  48  -4.001   4.636   3.799
  412    HE2  PHE  48           HE2      PHE  48  -1.845   7.859   2.029
  413    HZ   PHE  48           HZ       PHE  48  -2.054   6.142   3.782
  414    H    GLU  49           H        GLU  49  -6.051   8.115   2.214
  415    HA   GLU  49           HA       GLU  49  -7.858  10.177   2.731
  416    HB2  GLU  49           1HB      GLU  49  -5.876  11.433   3.553
  417    HB3  GLU  49           2HB      GLU  49  -5.937   9.783   4.161
  418    HG2  GLU  49           1HG      GLU  49  -4.320   9.126   2.400
  419    HG3  GLU  49           2HG      GLU  49  -4.211  10.816   1.917
  420    H    GLN  50           H        GLN  50  -5.946   9.578  -0.008
  421    HA   GLN  50           HA       GLN  50  -5.582  12.195  -1.006
  422    HB2  GLN  50           1HB      GLN  50  -5.759   9.569  -2.494
  423    HB3  GLN  50           2HB      GLN  50  -5.108  11.070  -3.138
  424    HG2  GLN  50           1HG      GLN  50  -3.332  11.018  -1.470
  425    HG3  GLN  50           2HG      GLN  50  -3.985   9.517  -0.819
  426   HE21  GLN  50          1HE2      GLN  50  -4.675   8.483  -3.468
  427   HE22  GLN  50          2HE2      GLN  50  -3.182   8.019  -4.201
  428    H    ARG  51           H        ARG  51  -8.289  10.052  -0.947
  429    HA   ARG  51           HA       ARG  51  -9.594  11.023  -3.277
  430    HB2  ARG  51           1HB      ARG  51  -9.916   8.806  -1.775
  431    HB3  ARG  51           2HB      ARG  51 -11.218   9.795  -1.123
  432    HG2  ARG  51           1HG      ARG  51 -12.109  10.095  -3.360
  433    HG3  ARG  51           2HG      ARG  51 -10.800   9.109  -4.009
  434    HD2  ARG  51           1HD      ARG  51 -11.615   7.281  -2.431
  435    HD3  ARG  51           2HD      ARG  51 -13.064   8.265  -2.225
  436    HE   ARG  51           HE       ARG  51 -12.256   7.542  -4.944
  437   HH11  ARG  51          1HH1      ARG  51 -14.490   7.114  -2.274
  438   HH12  ARG  51          2HH1      ARG  51 -15.665   6.275  -3.235
  439   HH21  ARG  51          1HH2      ARG  51 -13.783   6.448  -6.193
  440   HH22  ARG  51          2HH2      ARG  51 -15.267   5.901  -5.470
  441    H    LYS  52           H        LYS  52 -10.645  12.820  -3.537
  442    HA   LYS  52           HA       LYS  52 -11.471  14.891  -3.141
  443    HB2  LYS  52           1HB      LYS  52 -13.683  14.852  -2.053
  444    HB3  LYS  52           2HB      LYS  52 -13.475  13.536  -3.197
  445    HG2  LYS  52           1HG      LYS  52 -12.979  12.039  -1.262
  446    HG3  LYS  52           2HG      LYS  52 -13.402  13.375  -0.192
  447    HD2  LYS  52           1HD      LYS  52 -15.632  13.454  -1.389
  448    HD3  LYS  52           2HD      LYS  52 -15.177  11.925  -2.143
  449    HE2  LYS  52           1HE      LYS  52 -16.432  11.280  -0.281
  450    HE3  LYS  52           2HE      LYS  52 -14.760  11.091   0.244
  451    HZ1  LYS  52           3HZ      LYS  52 -16.647  13.266   0.937
  452    HZ2  LYS  52           1HZ      LYS  52 -14.978  13.393   1.211
  453    HZ3  LYS  52           2HZ      LYS  52 -15.875  12.183   1.986
  Start of MODEL   31
    1    H1   MET   1           1H       MET   1 -13.391 -10.903   2.241
    2    H2   MET   1           2H       MET   1 -14.741 -11.367   3.154
    3    H3   MET   1           3H       MET   1 -13.185 -11.852   3.629
    4    HA   MET   1           HA       MET   1 -14.227  -9.082   3.568
    5    HB2  MET   1           1HB      MET   1 -13.676 -11.013   5.815
    6    HB3  MET   1           2HB      MET   1 -13.751  -9.276   6.080
    7    HG2  MET   1           1HG      MET   1 -15.955 -11.018   5.003
    8    HG3  MET   1           2HG      MET   1 -15.864 -10.309   6.613
    9    HE1  MET   1           3HE      MET   1 -18.776  -8.317   4.839
   10    HE2  MET   1           1HE      MET   1 -18.344  -9.321   6.225
   11    HE3  MET   1           2HE      MET   1 -18.368 -10.016   4.604
   12    H    LYS   2           H        LYS   2 -11.480 -11.225   4.210
   13    HA   LYS   2           HA       LYS   2  -9.684  -9.028   4.674
   14    HB2  LYS   2           1HB      LYS   2  -9.136 -11.954   4.113
   15    HB3  LYS   2           2HB      LYS   2  -7.924 -10.777   4.598
   16    HG2  LYS   2           1HG      LYS   2 -10.319 -11.493   6.271
   17    HG3  LYS   2           2HG      LYS   2  -8.746 -12.272   6.418
   18    HD2  LYS   2           1HD      LYS   2  -7.787  -9.957   6.817
   19    HD3  LYS   2           2HD      LYS   2  -9.453  -9.396   6.976
   20    HE2  LYS   2           1HE      LYS   2  -9.823 -10.973   8.794
   21    HE3  LYS   2           2HE      LYS   2  -8.168 -11.557   8.635
   22    HZ1  LYS   2           3HZ      LYS   2  -7.388  -9.320   9.207
   23    HZ2  LYS   2           1HZ      LYS   2  -8.337  -9.990  10.440
   24    HZ3  LYS   2           2HZ      LYS   2  -8.994  -8.810   9.415
   25    H    GLN   3           H        GLN   3  -7.835  -8.586   3.283
   26    HA   GLN   3           HA       GLN   3  -8.542  -8.907   0.444
   27    HB2  GLN   3           1HB      GLN   3  -9.331  -6.737   1.023
   28    HB3  GLN   3           2HB      GLN   3  -7.879  -6.378   1.945
   29    HG2  GLN   3           1HG      GLN   3  -7.859  -5.157  -0.120
   30    HG3  GLN   3           2HG      GLN   3  -6.581  -6.366  -0.123
   31   HE21  GLN   3          1HE2      GLN   3  -9.970  -7.034  -0.659
   32   HE22  GLN   3          2HE2      GLN   3  -9.818  -7.464  -2.330
   33    H    TRP   4           H        TRP   4  -6.003  -7.120   2.105
   34    HA   TRP   4           HA       TRP   4  -3.975  -8.520   0.529
   35    HB2  TRP   4           1HB      TRP   4  -2.623  -6.613   1.948
   36    HB3  TRP   4           2HB      TRP   4  -3.310  -6.352   0.356
   37    HD1  TRP   4           HD1      TRP   4  -4.574  -4.108   0.269
   38    HE1  TRP   4           HE1      TRP   4  -5.994  -2.720   1.905
   39    HE3  TRP   4           HE3      TRP   4  -4.323  -7.160   4.361
   40    HZ2  TRP   4           HZ2      TRP   4  -6.906  -2.909   4.559
   41    HZ3  TRP   4           HZ3      TRP   4  -5.501  -6.482   6.400
   42    HH2  TRP   4           HH2      TRP   4  -6.765  -4.401   6.501
   43    H    SER   5           H        SER   5  -1.779  -8.606   1.957
   44    HA   SER   5           HA       SER   5  -2.280 -10.147   4.310
   45    HB2  SER   5           1HB      SER   5   0.304  -8.780   3.532
   46    HB3  SER   5           2HB      SER   5   0.107 -10.169   4.600
   47    HG   SER   5           HG       SER   5  -1.029 -10.858   2.354
   48    H    GLU   6           H        GLU   6  -2.767  -9.352   6.273
   49    HA   GLU   6           HA       GLU   6  -3.623  -6.757   6.612
   50    HB2  GLU   6           1HB      GLU   6  -4.232  -8.748   8.004
   51    HB3  GLU   6           2HB      GLU   6  -2.688  -8.586   8.827
   52    HG2  GLU   6           1HG      GLU   6  -3.330  -6.395   9.644
   53    HG3  GLU   6           2HG      GLU   6  -4.859  -6.503   8.772
   54    H    ASN   7           H        ASN   7  -0.539  -8.163   7.564
   55    HA   ASN   7           HA       ASN   7   0.503  -5.954   8.940
   56    HB2  ASN   7           1HB      ASN   7   1.430  -8.215   9.102
   57    HB3  ASN   7           2HB      ASN   7   1.952  -8.121   7.423
   58   HD21  ASN   7          1HD2      ASN   7   4.102  -8.358   7.823
   59   HD22  ASN   7          2HD2      ASN   7   5.059  -7.158   8.624
   60    H    VAL   8           H        VAL   8   0.333  -6.621   5.509
   61    HA   VAL   8           HA       VAL   8   2.537  -5.000   4.772
   62    HB   VAL   8           HB       VAL   8   0.208  -5.867   3.050
   63   HG11  VAL   8          1HG1      VAL   8   1.751  -5.406   1.180
   64   HG12  VAL   8          2HG1      VAL   8   2.920  -4.748   2.325
   65   HG13  VAL   8          3HG1      VAL   8   1.363  -3.953   2.099
   66   HG21  VAL   8          3HG2      VAL   8   2.953  -7.067   3.451
   67   HG22  VAL   8          1HG2      VAL   8   1.765  -7.604   2.262
   68   HG23  VAL   8          2HG2      VAL   8   1.422  -7.760   3.984
   69    H    GLU   9           H        GLU   9  -0.979  -4.365   4.786
   70    HA   GLU   9           HA       GLU   9  -0.926  -1.775   3.771
   71    HB2  GLU   9           1HB      GLU   9  -3.029  -2.944   4.215
   72    HB3  GLU   9           2HB      GLU   9  -2.714  -2.890   5.947
   73    HG2  GLU   9           1HG      GLU   9  -2.698  -0.372   5.742
   74    HG3  GLU   9           2HG      GLU   9  -3.310  -0.587   4.104
   75    H    GLU  10           H        GLU  10  -0.479  -2.935   7.052
   76    HA   GLU  10           HA       GLU  10  -0.219  -0.545   8.431
   77    HB2  GLU  10           1HB      GLU  10  -0.361  -2.726   9.523
   78    HB3  GLU  10           2HB      GLU  10   1.201  -3.181   8.857
   79    HG2  GLU  10           1HG      GLU  10   1.595  -2.601  11.092
   80    HG3  GLU  10           2HG      GLU  10   2.175  -1.240  10.130
   81    H    LYS  11           H        LYS  11   2.416  -2.585   7.164
   82    HA   LYS  11           HA       LYS  11   4.360  -0.609   7.865
   83    HB2  LYS  11           1HB      LYS  11   4.684  -3.093   7.956
   84    HB3  LYS  11           2HB      LYS  11   4.778  -3.083   6.196
   85    HG2  LYS  11           1HG      LYS  11   6.710  -1.563   6.326
   86    HG3  LYS  11           2HG      LYS  11   6.627  -1.638   8.084
   87    HD2  LYS  11           1HD      LYS  11   8.313  -3.162   7.421
   88    HD3  LYS  11           2HD      LYS  11   6.913  -4.131   7.885
   89    HE2  LYS  11           1HE      LYS  11   6.314  -4.418   5.548
   90    HE3  LYS  11           2HE      LYS  11   7.653  -3.380   5.056
   91    HZ1  LYS  11           3HZ      LYS  11   7.725  -6.126   6.116
   92    HZ2  LYS  11           1HZ      LYS  11   9.055  -5.101   6.366
   93    HZ3  LYS  11           2HZ      LYS  11   8.550  -5.457   4.792
   94    H    LEU  12           H        LEU  12   2.503  -1.258   5.038
   95    HA   LEU  12           HA       LEU  12   4.177   0.072   3.163
   96    HB2  LEU  12           1HB      LEU  12   2.249  -1.384   2.548
   97    HB3  LEU  12           2HB      LEU  12   1.163  -0.151   3.160
   98    HG   LEU  12           HG       LEU  12   1.947   1.409   1.431
   99   HD11  LEU  12          1HD1      LEU  12   4.223   0.537   1.182
  100   HD12  LEU  12          2HD1      LEU  12   3.391   0.639  -0.369
  101   HD13  LEU  12          3HD1      LEU  12   3.578  -0.923   0.428
  102   HD21  LEU  12          3HD2      LEU  12   1.090  -1.264   0.322
  103   HD22  LEU  12          1HD2      LEU  12   0.916   0.300  -0.474
  104   HD23  LEU  12          2HD2      LEU  12   0.016  -0.042   1.003
  105    H    LYS  13           H        LYS  13   1.491   1.115   5.218
  106    HA   LYS  13           HA       LYS  13   1.527   3.859   4.694
  107    HB2  LYS  13           1HB      LYS  13  -0.217   3.468   6.077
  108    HB3  LYS  13           2HB      LYS  13   0.555   2.056   6.783
  109    HG2  LYS  13           1HG      LYS  13   2.013   3.925   7.972
  110    HG3  LYS  13           2HG      LYS  13   0.547   4.872   7.696
  111    HD2  LYS  13           1HD      LYS  13  -0.789   3.282   8.881
  112    HD3  LYS  13           2HD      LYS  13   0.554   2.146   8.982
  113    HE2  LYS  13           1HE      LYS  13   1.775   3.852  10.358
  114    HE3  LYS  13           2HE      LYS  13   0.290   4.802  10.383
  115    HZ1  LYS  13           3HZ      LYS  13  -0.835   3.046  11.513
  116    HZ2  LYS  13           1HZ      LYS  13   0.599   3.375  12.356
  117    HZ3  LYS  13           2HZ      LYS  13   0.493   2.003  11.359
  118    H    GLU  14           H        GLU  14   3.418   1.924   6.959
  119    HA   GLU  14           HA       GLU  14   4.913   3.958   8.170
  120    HB2  GLU  14           1HB      GLU  14   5.826   1.145   7.515
  121    HB3  GLU  14           2HB      GLU  14   6.508   2.199   8.743
  122    HG2  GLU  14           1HG      GLU  14   3.643   1.319   8.835
  123    HG3  GLU  14           2HG      GLU  14   4.946   0.336   9.495
  124    H    PHE  15           H        PHE  15   5.445   2.120   5.204
  125    HA   PHE  15           HA       PHE  15   8.060   3.172   4.741
  126    HB2  PHE  15           1HB      PHE  15   7.265   0.903   4.085
  127    HB3  PHE  15           2HB      PHE  15   6.224   1.654   2.888
  128    HD1  PHE  15           HD1      PHE  15   9.694   2.630   3.719
  129    HD2  PHE  15           HD2      PHE  15   7.108   0.729   0.921
  130    HE1  PHE  15           HE1      PHE  15  11.544   2.499   2.106
  131    HE2  PHE  15           HE2      PHE  15   8.956   0.595  -0.693
  132    HZ   PHE  15           HZ       PHE  15  11.176   1.484  -0.105
  133    H    VAL  16           H        VAL  16   4.901   4.308   4.099
  134    HA   VAL  16           HA       VAL  16   5.817   6.026   1.921
  135    HB   VAL  16           HB       VAL  16   3.051   5.661   3.092
  136   HG11  VAL  16          1HG1      VAL  16   2.259   7.034   1.214
  137   HG12  VAL  16          2HG1      VAL  16   3.933   7.354   0.756
  138   HG13  VAL  16          3HG1      VAL  16   3.313   7.947   2.296
  139   HG21  VAL  16          3HG2      VAL  16   4.238   4.825   0.449
  140   HG22  VAL  16          1HG2      VAL  16   2.548   4.636   0.919
  141   HG23  VAL  16          2HG2      VAL  16   3.810   3.758   1.787
  142    H    LYS  17           H        LYS  17   4.095   6.454   5.027
  143    HA   LYS  17           HA       LYS  17   4.434   9.302   4.898
  144    HB2  LYS  17           1HB      LYS  17   3.379   7.515   7.093
  145    HB3  LYS  17           2HB      LYS  17   3.368   9.271   7.162
  146    HG2  LYS  17           1HG      LYS  17   1.963   7.616   5.081
  147    HG3  LYS  17           2HG      LYS  17   1.201   8.310   6.513
  148    HD2  LYS  17           1HD      LYS  17   1.821  10.566   5.743
  149    HD3  LYS  17           2HD      LYS  17   2.557   9.868   4.302
  150    HE2  LYS  17           1HE      LYS  17   0.372   8.990   3.616
  151    HE3  LYS  17           2HE      LYS  17  -0.363   9.703   5.052
  152    HZ1  LYS  17           3HZ      LYS  17  -0.645  11.081   3.060
  153    HZ2  LYS  17           1HZ      LYS  17   1.040  11.229   2.923
  154    HZ3  LYS  17           2HZ      LYS  17   0.240  11.883   4.267
  155    H    ARG  18           H        ARG  18   5.891   6.698   6.748
  156    HA   ARG  18           HA       ARG  18   7.405   8.602   8.342
  157    HB2  ARG  18           1HB      ARG  18   7.613   5.610   8.524
  158    HB3  ARG  18           2HB      ARG  18   7.835   6.815   9.792
  159    HG2  ARG  18           1HG      ARG  18   5.444   7.326   9.729
  160    HG3  ARG  18           2HG      ARG  18   5.223   6.114   8.472
  161    HD2  ARG  18           1HD      ARG  18   4.574   5.087  10.477
  162    HD3  ARG  18           2HD      ARG  18   6.167   4.438  10.097
  163    HE   ARG  18           HE       ARG  18   6.836   6.430  11.725
  164   HH11  ARG  18          1HH1      ARG  18   4.299   4.022  11.990
  165   HH12  ARG  18          2HH1      ARG  18   4.290   4.053  13.733
  166   HH21  ARG  18          1HH2      ARG  18   6.831   6.455  14.009
  167   HH22  ARG  18          2HH2      ARG  18   5.741   5.419  14.877
  168    H    HIS  19           H        HIS  19   7.757   7.725   5.391
  169    HA   HIS  19           HA       HIS  19  10.679   7.711   5.533
  170    HB2  HIS  19           1HB      HIS  19   8.949   6.008   3.732
  171    HB3  HIS  19           2HB      HIS  19  10.642   6.338   3.384
  172    HD1  HIS  19           HD1      HIS  19   8.483   4.583   5.978
  173    HD2  HIS  19           HD2      HIS  19  12.430   4.767   4.688
  174    HE1  HIS  19           HE1      HIS  19   9.712   2.730   7.178
  175    H    GLN  20           H        GLN  20  11.205   8.012   2.847
  176    HA   GLN  20           HA       GLN  20  10.252  10.722   2.427
  177    HB2  GLN  20           1HB      GLN  20  12.286   9.071   0.915
  178    HB3  GLN  20           2HB      GLN  20  11.928  10.764   0.601
  179    HG2  GLN  20           1HG      GLN  20  13.031   9.651   3.169
  180    HG3  GLN  20           2HG      GLN  20  13.952  10.503   1.931
  181   HE21  GLN  20          1HE2      GLN  20  13.714  12.715   1.697
  182   HE22  GLN  20          2HE2      GLN  20  12.947  13.694   2.908
  183    H    ARG  21           H        ARG  21   8.417   8.505   2.097
  184    HA   ARG  21           HA       ARG  21   6.700   7.846   0.788
  185    HB2  ARG  21           1HB      ARG  21   7.570  10.191  -0.896
  186    HB3  ARG  21           2HB      ARG  21   6.141   9.229  -1.237
  187    HG2  ARG  21           1HG      ARG  21   5.331   9.809   1.067
  188    HG3  ARG  21           2HG      ARG  21   6.665  10.962   1.154
  189    HD2  ARG  21           1HD      ARG  21   4.645  12.086   0.441
  190    HD3  ARG  21           2HD      ARG  21   5.822  12.065  -0.871
  191    HE   ARG  21           HE       ARG  21   4.116   9.837  -1.126
  192   HH11  ARG  21          1HH1      ARG  21   4.120  13.317  -1.491
  193   HH12  ARG  21          2HH1      ARG  21   2.805  13.327  -2.628
  194   HH21  ARG  21          1HH2      ARG  21   2.370   9.852  -2.625
  195   HH22  ARG  21          2HH2      ARG  21   1.827  11.368  -3.278
  196    H    ILE  22           H        ILE  22   6.169   7.218  -1.614
  197    HA   ILE  22           HA       ILE  22   8.467   6.341  -3.116
  198    HB   ILE  22           HB       ILE  22   8.263   4.565  -1.447
  199   HG12  ILE  22          1HG1      ILE  22   7.286   3.635  -4.152
  200   HG13  ILE  22          2HG1      ILE  22   8.961   4.023  -3.762
  201   HG21  ILE  22          1HG2      ILE  22   5.458   4.224  -2.492
  202   HG22  ILE  22          2HG2      ILE  22   5.922   4.782  -0.884
  203   HG23  ILE  22          3HG2      ILE  22   6.272   3.126  -1.380
  204   HD11  ILE  22          3HD1      ILE  22   9.006   2.232  -2.128
  205   HD12  ILE  22          1HD1      ILE  22   8.558   1.626  -3.721
  206   HD13  ILE  22          2HD1      ILE  22   7.320   1.849  -2.483
  207    H    THR  23           H        THR  23   7.977   5.889  -5.252
  208    HA   THR  23           HA       THR  23   5.467   6.862  -6.239
  209    HB   THR  23           HB       THR  23   6.376   6.141  -8.469
  210    HG1  THR  23           HG1      THR  23   8.916   5.768  -7.791
  211   HG21  THR  23          3HG2      THR  23   8.174   7.806  -8.524
  212   HG22  THR  23          1HG2      THR  23   8.220   7.816  -6.762
  213   HG23  THR  23          2HG2      THR  23   6.785   8.395  -7.610
  214    H    GLN  24           H        GLN  24   4.012   5.621  -7.612
  215    HA   GLN  24           HA       GLN  24   3.270   3.134  -6.475
  216    HB2  GLN  24           1HB      GLN  24   1.767   4.783  -7.711
  217    HB3  GLN  24           2HB      GLN  24   2.430   4.124  -9.199
  218    HG2  GLN  24           1HG      GLN  24   1.580   1.926  -8.639
  219    HG3  GLN  24           2HG      GLN  24   0.972   2.530  -7.100
  220   HE21  GLN  24          1HE2      GLN  24   0.483   2.387 -10.520
  221   HE22  GLN  24          2HE2      GLN  24  -1.105   3.085 -10.526
  222    H    GLU  25           H        GLU  25   5.429   4.044  -8.960
  223    HA   GLU  25           HA       GLU  25   5.772   1.788 -10.512
  224    HB2  GLU  25           1HB      GLU  25   6.945   3.996 -10.737
  225    HB3  GLU  25           2HB      GLU  25   7.957   3.542  -9.372
  226    HG2  GLU  25           1HG      GLU  25   9.245   3.084 -11.259
  227    HG3  GLU  25           2HG      GLU  25   8.623   1.512 -10.755
  228    H    GLU  26           H        GLU  26   7.826   2.620  -7.746
  229    HA   GLU  26           HA       GLU  26   8.838  -0.039  -7.515
  230    HB2  GLU  26           1HB      GLU  26  10.106   2.057  -6.967
  231    HB3  GLU  26           2HB      GLU  26   9.082   2.247  -5.554
  232    HG2  GLU  26           1HG      GLU  26  11.174   1.281  -4.901
  233    HG3  GLU  26           2HG      GLU  26   9.897   0.080  -4.707
  234    H    LEU  27           H        LEU  27   6.213   1.737  -6.142
  235    HA   LEU  27           HA       LEU  27   5.814   0.212  -3.803
  236    HB2  LEU  27           1HB      LEU  27   4.836   2.463  -4.321
  237    HB3  LEU  27           2HB      LEU  27   3.732   1.672  -5.425
  238    HG   LEU  27           HG       LEU  27   3.778   0.758  -2.581
  239   HD11  LEU  27          1HD1      LEU  27   3.706   3.167  -2.362
  240   HD12  LEU  27          2HD1      LEU  27   2.116   2.485  -2.016
  241   HD13  LEU  27          3HD1      LEU  27   2.423   3.265  -3.569
  242   HD21  LEU  27          3HD2      LEU  27   1.599   1.089  -4.646
  243   HD22  LEU  27          1HD2      LEU  27   1.386   0.418  -3.030
  244   HD23  LEU  27          2HD2      LEU  27   2.391  -0.425  -4.211
  245    H    HIS  28           H        HIS  28   4.657  -0.139  -7.134
  246    HA   HIS  28           HA       HIS  28   2.877  -2.277  -6.596
  247    HB2  HIS  28           1HB      HIS  28   2.973  -0.829  -8.711
  248    HB3  HIS  28           2HB      HIS  28   4.299  -1.869  -9.225
  249    HD1  HIS  28           HD1      HIS  28   3.161  -4.626  -8.384
  250    HD2  HIS  28           HD2      HIS  28   0.956  -1.670 -10.302
  251    HE1  HIS  28           HE1      HIS  28   1.203  -5.792  -9.452
  252    H    GLN  29           H        GLN  29   6.276  -2.147  -7.566
  253    HA   GLN  29           HA       GLN  29   6.674  -4.934  -7.779
  254    HB2  GLN  29           1HB      GLN  29   8.202  -2.919  -8.461
  255    HB3  GLN  29           2HB      GLN  29   8.823  -3.062  -6.824
  256    HG2  GLN  29           1HG      GLN  29   8.758  -5.387  -8.719
  257    HG3  GLN  29           2HG      GLN  29  10.094  -4.244  -8.680
  258   HE21  GLN  29          1HE2      GLN  29   9.992  -3.872  -5.806
  259   HE22  GLN  29          2HE2      GLN  29  10.631  -5.322  -5.112
  260    H    TYR  30           H        TYR  30   6.801  -2.669  -5.117
  261    HA   TYR  30           HA       TYR  30   7.810  -4.419  -3.135
  262    HB2  TYR  30           1HB      TYR  30   7.757  -1.893  -3.071
  263    HB3  TYR  30           2HB      TYR  30   6.034  -2.005  -2.741
  264    HD1  TYR  30           HD1      TYR  30   9.129  -3.642  -1.399
  265    HD2  TYR  30           HD2      TYR  30   5.508  -1.579  -0.554
  266    HE1  TYR  30           HE1      TYR  30   9.626  -3.770   1.007
  267    HE2  TYR  30           HE2      TYR  30   5.986  -1.703   1.851
  268    HH   TYR  30           HH       TYR  30   9.008  -2.514   3.095
  269    H    ALA  31           H        ALA  31   4.622  -3.786  -4.414
  270    HA   ALA  31           HA       ALA  31   3.087  -4.889  -2.324
  271    HB1  ALA  31           3HB      ALA  31   2.435  -4.735  -5.267
  272    HB2  ALA  31           1HB      ALA  31   2.151  -3.457  -4.085
  273    HB3  ALA  31           2HB      ALA  31   1.284  -4.988  -3.955
  274    H    GLN  32           H        GLN  32   4.378  -6.290  -5.304
  275    HA   GLN  32           HA       GLN  32   3.272  -8.885  -4.809
  276    HB2  GLN  32           1HB      GLN  32   5.468  -8.020  -6.694
  277    HB3  GLN  32           2HB      GLN  32   4.707  -9.605  -6.685
  278    HG2  GLN  32           1HG      GLN  32   2.561  -8.578  -7.250
  279    HG3  GLN  32           2HG      GLN  32   3.331  -6.991  -7.273
  280   HE21  GLN  32          1HE2      GLN  32   4.891  -9.886  -8.423
  281   HE22  GLN  32          2HE2      GLN  32   4.905  -9.449 -10.095
  282    H    ARG  33           H        ARG  33   6.032  -7.201  -3.745
  283    HA   ARG  33           HA       ARG  33   7.665  -9.501  -3.225
  284    HB2  ARG  33           1HB      ARG  33   8.492  -7.132  -3.627
  285    HB3  ARG  33           2HB      ARG  33   7.933  -6.750  -2.006
  286    HG2  ARG  33           1HG      ARG  33   9.467  -8.344  -1.053
  287    HG3  ARG  33           2HG      ARG  33   9.969  -8.867  -2.660
  288    HD2  ARG  33           1HD      ARG  33  10.775  -6.561  -3.105
  289    HD3  ARG  33           2HD      ARG  33  10.373  -6.137  -1.443
  290    HE   ARG  33           HE       ARG  33  12.174  -8.388  -1.784
  291   HH11  ARG  33          1HH1      ARG  33  11.908  -4.926  -1.318
  292   HH12  ARG  33          2HH1      ARG  33  13.449  -4.789  -0.521
  293   HH21  ARG  33          1HH2      ARG  33  14.209  -8.217  -0.777
  294   HH22  ARG  33          2HH2      ARG  33  14.758  -6.663  -0.213
  295    H    LEU  34           H        LEU  34   5.239  -7.660  -1.504
  296    HA   LEU  34           HA       LEU  34   5.839  -9.119   0.960
  297    HB2  LEU  34           1HB      LEU  34   4.098  -6.723   0.436
  298    HB3  LEU  34           2HB      LEU  34   4.173  -7.542   1.984
  299    HG   LEU  34           HG       LEU  34   6.429  -6.089   0.599
  300   HD11  LEU  34          1HD1      LEU  34   4.809  -4.627   1.655
  301   HD12  LEU  34          2HD1      LEU  34   6.318  -4.634   2.566
  302   HD13  LEU  34          3HD1      LEU  34   4.928  -5.545   3.157
  303   HD21  LEU  34          3HD2      LEU  34   6.453  -7.609   3.208
  304   HD22  LEU  34          1HD2      LEU  34   7.769  -6.621   2.573
  305   HD23  LEU  34          2HD2      LEU  34   7.278  -8.086   1.724
  306    H    GLY  35           H        GLY  35   3.405  -8.942  -1.545
  307    HA2  GLY  35           1HA      GLY  35   2.198 -11.111  -1.736
  308    HA3  GLY  35           2HA      GLY  35   1.902 -10.982  -0.013
  309    H    LEU  36           H        LEU  36   1.583  -8.428  -2.474
  310    HA   LEU  36           HA       LEU  36  -1.268  -8.282  -1.744
  311    HB2  LEU  36           1HB      LEU  36   0.318  -6.181  -3.212
  312    HB3  LEU  36           2HB      LEU  36  -1.272  -6.017  -2.497
  313    HG   LEU  36           HG       LEU  36   1.338  -6.302  -1.013
  314   HD11  LEU  36          1HD1      LEU  36  -0.634  -4.033  -1.232
  315   HD12  LEU  36          2HD1      LEU  36   0.976  -4.096  -1.947
  316   HD13  LEU  36          3HD1      LEU  36   0.792  -4.055  -0.193
  317   HD21  LEU  36          3HD2      LEU  36  -0.402  -7.509   0.172
  318   HD22  LEU  36          1HD2      LEU  36  -1.480  -6.119   0.051
  319   HD23  LEU  36          2HD2      LEU  36  -0.009  -6.014   1.020
  320    H    ASN  37           H        ASN  37  -2.814  -8.617  -3.235
  321    HA   ASN  37           HA       ASN  37  -2.079  -8.978  -6.015
  322    HB2  ASN  37           1HB      ASN  37  -4.556  -9.295  -6.366
  323    HB3  ASN  37           2HB      ASN  37  -3.818 -10.459  -5.283
  324   HD21  ASN  37          1HD2      ASN  37  -4.487  -7.226  -4.168
  325   HD22  ASN  37          2HD2      ASN  37  -5.852  -7.641  -3.175
  326    H    GLU  38           H        GLU  38  -3.429  -7.668  -7.672
  327    HA   GLU  38           HA       GLU  38  -2.553  -5.019  -7.370
  328    HB2  GLU  38           1HB      GLU  38  -2.963  -6.247  -9.531
  329    HB3  GLU  38           2HB      GLU  38  -4.681  -5.943  -9.298
  330    HG2  GLU  38           1HG      GLU  38  -4.137  -3.502  -9.202
  331    HG3  GLU  38           2HG      GLU  38  -2.495  -3.921  -9.689
  332    H    GLU  39           H        GLU  39  -5.700  -6.469  -6.813
  333    HA   GLU  39           HA       GLU  39  -7.267  -4.187  -6.562
  334    HB2  GLU  39           1HB      GLU  39  -8.134  -6.487  -6.615
  335    HB3  GLU  39           2HB      GLU  39  -7.480  -6.765  -5.007
  336    HG2  GLU  39           1HG      GLU  39  -8.988  -5.159  -4.057
  337    HG3  GLU  39           2HG      GLU  39  -9.552  -4.681  -5.657
  338    H    ALA  40           H        ALA  40  -5.284  -5.836  -4.142
  339    HA   ALA  40           HA       ALA  40  -5.988  -4.285  -1.913
  340    HB1  ALA  40           3HB      ALA  40  -4.090  -5.212  -0.821
  341    HB2  ALA  40           1HB      ALA  40  -3.278  -5.522  -2.358
  342    HB3  ALA  40           2HB      ALA  40  -4.699  -6.460  -1.913
  343    H    ILE  41           H        ILE  41  -3.679  -3.824  -4.468
  344    HA   ILE  41           HA       ILE  41  -2.187  -1.727  -3.309
  345    HB   ILE  41           HB       ILE  41  -2.653  -2.259  -6.251
  346   HG12  ILE  41          1HG1      ILE  41  -0.536  -3.365  -4.386
  347   HG13  ILE  41          2HG1      ILE  41  -1.874  -4.277  -5.080
  348   HG21  ILE  41          1HG2      ILE  41  -0.422  -0.836  -4.807
  349   HG22  ILE  41          2HG2      ILE  41  -1.651  -0.095  -5.830
  350   HG23  ILE  41          3HG2      ILE  41  -0.459  -1.186  -6.535
  351   HD11  ILE  41          3HD1      ILE  41   0.359  -2.994  -6.633
  352   HD12  ILE  41          1HD1      ILE  41  -0.963  -3.950  -7.303
  353   HD13  ILE  41          2HD1      ILE  41   0.221  -4.706  -6.234
  354    H    ARG  42           H        ARG  42  -4.855  -1.727  -5.658
  355    HA   ARG  42           HA       ARG  42  -5.193   1.070  -5.765
  356    HB2  ARG  42           1HB      ARG  42  -6.171  -0.428  -7.436
  357    HB3  ARG  42           2HB      ARG  42  -7.225  -1.126  -6.212
  358    HG2  ARG  42           1HG      ARG  42  -8.160   1.206  -5.897
  359    HG3  ARG  42           2HG      ARG  42  -7.295   1.639  -7.370
  360    HD2  ARG  42           1HD      ARG  42  -9.503   1.093  -8.023
  361    HD3  ARG  42           2HD      ARG  42  -8.485  -0.267  -8.500
  362    HE   ARG  42           HE       ARG  42 -10.174  -0.264  -6.073
  363   HH11  ARG  42          1HH1      ARG  42  -8.713  -1.914  -8.806
  364   HH12  ARG  42          2HH1      ARG  42  -9.579  -3.399  -8.538
  365   HH21  ARG  42          1HH2      ARG  42 -11.321  -2.213  -5.717
  366   HH22  ARG  42          2HH2      ARG  42 -11.056  -3.567  -6.776
  367    H    GLN  43           H        GLN  43  -6.558  -1.435  -3.697
  368    HA   GLN  43           HA       GLN  43  -8.561   0.071  -2.464
  369    HB2  GLN  43           1HB      GLN  43  -8.123  -2.462  -2.342
  370    HB3  GLN  43           2HB      GLN  43  -7.006  -2.083  -1.032
  371    HG2  GLN  43           1HG      GLN  43  -8.854  -0.977   0.170
  372    HG3  GLN  43           2HG      GLN  43  -9.953  -1.466  -1.118
  373   HE21  GLN  43          1HE2      GLN  43  -8.086  -2.491   1.600
  374   HE22  GLN  43          2HE2      GLN  43  -8.757  -4.081   1.727
  375    H    PHE  44           H        PHE  44  -5.159  -0.368  -1.608
  376    HA   PHE  44           HA       PHE  44  -5.137   1.042   0.807
  377    HB2  PHE  44           1HB      PHE  44  -3.258  -0.338  -0.095
  378    HB3  PHE  44           2HB      PHE  44  -2.925   0.942  -1.258
  379    HD1  PHE  44           HD1      PHE  44  -3.072   0.182   2.357
  380    HD2  PHE  44           HD2      PHE  44  -1.591   2.775  -0.675
  381    HE1  PHE  44           HE1      PHE  44  -1.623   1.278   4.010
  382    HE2  PHE  44           HE2      PHE  44  -0.133   3.876   0.974
  383    HZ   PHE  44           HZ       PHE  44  -0.150   3.126   3.320
  384    H    PHE  45           H        PHE  45  -4.789   2.182  -2.529
  385    HA   PHE  45           HA       PHE  45  -4.309   4.893  -1.743
  386    HB2  PHE  45           1HB      PHE  45  -4.934   3.625  -4.401
  387    HB3  PHE  45           2HB      PHE  45  -4.715   5.361  -4.205
  388    HD1  PHE  45           HD1      PHE  45  -2.496   5.974  -2.833
  389    HD2  PHE  45           HD2      PHE  45  -3.109   2.426  -5.099
  390    HE1  PHE  45           HE1      PHE  45  -0.063   5.705  -3.062
  391    HE2  PHE  45           HE2      PHE  45  -0.674   2.155  -5.332
  392    HZ   PHE  45           HZ       PHE  45   0.850   3.794  -4.315
  393    H    GLU  46           H        GLU  46  -7.145   3.084  -2.870
  394    HA   GLU  46           HA       GLU  46  -8.756   5.401  -3.165
  395    HB2  GLU  46           1HB      GLU  46 -10.609   3.922  -3.521
  396    HB3  GLU  46           2HB      GLU  46  -9.202   3.270  -4.334
  397    HG2  GLU  46           1HG      GLU  46  -8.914   1.600  -2.643
  398    HG3  GLU  46           2HG      GLU  46 -10.194   2.320  -1.668
  399    H    GLU  47           H        GLU  47  -8.615   2.911  -0.636
  400    HA   GLU  47           HA       GLU  47 -10.593   4.084   1.007
  401    HB2  GLU  47           1HB      GLU  47  -8.363   2.159   1.626
  402    HB3  GLU  47           2HB      GLU  47  -9.522   2.686   2.837
  403    HG2  GLU  47           1HG      GLU  47 -11.329   1.805   1.333
  404    HG3  GLU  47           2HG      GLU  47 -10.049   1.091   0.349
  405    H    PHE  48           H        PHE  48  -7.278   4.827   0.533
  406    HA   PHE  48           HA       PHE  48  -6.435   5.755   2.989
  407    HB2  PHE  48           1HB      PHE  48  -5.345   5.598   0.544
  408    HB3  PHE  48           2HB      PHE  48  -5.648   7.329   0.604
  409    HD1  PHE  48           HD1      PHE  48  -3.814   4.547   2.145
  410    HD2  PHE  48           HD2      PHE  48  -4.384   8.765   2.034
  411    HE1  PHE  48           HE1      PHE  48  -1.759   4.860   3.466
  412    HE2  PHE  48           HE2      PHE  48  -2.328   9.083   3.347
  413    HZ   PHE  48           HZ       PHE  48  -1.013   7.130   4.067
  414    H    GLU  49           H        GLU  49  -8.070   7.578   0.426
  415    HA   GLU  49           HA       GLU  49  -8.141   9.969   2.054
  416    HB2  GLU  49           1HB      GLU  49  -9.179  11.008   0.088
  417    HB3  GLU  49           2HB      GLU  49  -7.695  10.162  -0.335
  418    HG2  GLU  49           1HG      GLU  49  -9.015   8.269  -1.156
  419    HG3  GLU  49           2HG      GLU  49 -10.493   9.134  -0.737
  420    H    GLN  50           H        GLN  50 -10.186   7.285   1.430
  421    HA   GLN  50           HA       GLN  50 -12.660   8.631   2.049
  422    HB2  GLN  50           1HB      GLN  50 -12.169   5.651   2.146
  423    HB3  GLN  50           2HB      GLN  50 -13.696   6.485   1.895
  424    HG2  GLN  50           1HG      GLN  50 -12.863   7.307  -0.269
  425    HG3  GLN  50           2HG      GLN  50 -11.368   6.402  -0.012
  426   HE21  GLN  50          1HE2      GLN  50 -12.875   4.190   1.275
  427   HE22  GLN  50          2HE2      GLN  50 -13.616   3.328  -0.026
  428    H    ARG  51           H        ARG  51 -10.499   6.367   3.643
  429    HA   ARG  51           HA       ARG  51 -10.251   5.719   5.788
  430    HB2  ARG  51           1HB      ARG  51  -9.536   7.668   7.218
  431    HB3  ARG  51           2HB      ARG  51  -8.738   7.484   5.674
  432    HG2  ARG  51           1HG      ARG  51 -10.333   9.130   4.762
  433    HG3  ARG  51           2HG      ARG  51 -10.858   9.451   6.417
  434    HD2  ARG  51           1HD      ARG  51  -8.614  10.045   7.047
  435    HD3  ARG  51           2HD      ARG  51  -8.032   9.616   5.446
  436    HE   ARG  51           HE       ARG  51 -10.053  11.636   5.347
  437   HH11  ARG  51          1HH1      ARG  51  -6.659  11.051   5.911
  438   HH12  ARG  51          2HH1      ARG  51  -6.165  12.674   5.536
  439   HH21  ARG  51          1HH2      ARG  51  -9.430  13.796   4.883
  440   HH22  ARG  51          2HH2      ARG  51  -7.750  14.249   4.983
  441    H    LYS  52           H        LYS  52 -12.272   4.757   6.161
  442    HA   LYS  52           HA       LYS  52 -13.977   4.235   7.557
  443    HB2  LYS  52           1HB      LYS  52 -12.937   6.580   9.161
  444    HB3  LYS  52           2HB      LYS  52 -14.140   5.432   9.733
  445    HG2  LYS  52           1HG      LYS  52 -12.584   3.673   9.804
  446    HG3  LYS  52           2HG      LYS  52 -11.416   4.563   8.825
  447    HD2  LYS  52           1HD      LYS  52 -10.747   4.501  11.175
  448    HD3  LYS  52           2HD      LYS  52 -11.080   6.150  10.646
  449    HE2  LYS  52           1HE      LYS  52 -13.277   6.049  11.701
  450    HE3  LYS  52           2HE      LYS  52 -12.975   4.384  12.194
  451    HZ1  LYS  52           3HZ      LYS  52 -12.569   5.893  14.014
  452    HZ2  LYS  52           1HZ      LYS  52 -11.449   6.772  13.093
  453    HZ3  LYS  52           2HZ      LYS  52 -11.109   5.173  13.533
  Start of MODEL   32
    1    H1   MET   1           1H       MET   1 -13.596 -10.116   7.354
    2    H2   MET   1           2H       MET   1 -12.948  -9.149   6.121
    3    H3   MET   1           3H       MET   1 -12.026  -9.485   7.505
    4    HA   MET   1           HA       MET   1 -11.994 -11.829   6.924
    5    HB2  MET   1           1HB      MET   1 -13.496 -10.805   4.512
    6    HB3  MET   1           2HB      MET   1 -12.661 -12.352   4.524
    7    HG2  MET   1           1HG      MET   1 -14.905 -11.539   6.355
    8    HG3  MET   1           2HG      MET   1 -15.032 -12.621   4.968
    9    HE1  MET   1           3HE      MET   1 -16.082 -13.405   7.844
   10    HE2  MET   1           1HE      MET   1 -15.481 -15.054   8.008
   11    HE3  MET   1           2HE      MET   1 -16.154 -14.509   6.470
   12    H    LYS   2           H        LYS   2 -10.868 -12.466   4.491
   13    HA   LYS   2           HA       LYS   2  -8.368 -11.151   4.731
   14    HB2  LYS   2           1HB      LYS   2  -7.686 -12.532   2.797
   15    HB3  LYS   2           2HB      LYS   2  -8.461 -13.476   4.062
   16    HG2  LYS   2           1HG      LYS   2 -10.545 -13.470   2.777
   17    HG3  LYS   2           2HG      LYS   2  -9.751 -12.544   1.505
   18    HD2  LYS   2           1HD      LYS   2  -9.660 -14.748   0.739
   19    HD3  LYS   2           2HD      LYS   2  -8.060 -14.465   1.418
   20    HE2  LYS   2           1HE      LYS   2 -10.328 -15.857   2.845
   21    HE3  LYS   2           2HE      LYS   2  -9.007 -16.674   2.015
   22    HZ1  LYS   2           3HZ      LYS   2  -8.350 -16.654   4.219
   23    HZ2  LYS   2           1HZ      LYS   2  -8.926 -15.082   4.497
   24    HZ3  LYS   2           2HZ      LYS   2  -7.520 -15.320   3.580
   25    H    GLN   3           H        GLN   3  -7.437  -9.604   3.572
   26    HA   GLN   3           HA       GLN   3  -8.730  -8.632   1.145
   27    HB2  GLN   3           1HB      GLN   3  -8.256  -6.229   2.002
   28    HB3  GLN   3           2HB      GLN   3  -9.718  -7.058   2.508
   29    HG2  GLN   3           1HG      GLN   3  -8.699  -7.601   4.639
   30    HG3  GLN   3           2HG      GLN   3  -7.190  -6.842   4.131
   31   HE21  GLN   3          1HE2      GLN   3 -10.266  -5.492   3.251
   32   HE22  GLN   3          2HE2      GLN   3 -10.183  -4.108   4.286
   33    H    TRP   4           H        TRP   4  -5.931  -8.015   3.315
   34    HA   TRP   4           HA       TRP   4  -4.229  -8.724   1.083
   35    HB2  TRP   4           1HB      TRP   4  -2.742  -6.734   1.636
   36    HB3  TRP   4           2HB      TRP   4  -4.234  -6.363   0.782
   37    HD1  TRP   4           HD1      TRP   4  -2.800  -6.205   4.365
   38    HE1  TRP   4           HE1      TRP   4  -3.961  -4.286   5.619
   39    HE3  TRP   4           HE3      TRP   4  -6.182  -4.871   0.804
   40    HZ2  TRP   4           HZ2      TRP   4  -6.047  -2.449   5.151
   41    HZ3  TRP   4           HZ3      TRP   4  -7.732  -3.021   1.280
   42    HH2  TRP   4           HH2      TRP   4  -7.664  -1.836   3.406
   43    H    SER   5           H        SER   5  -1.926  -9.005   1.934
   44    HA   SER   5           HA       SER   5  -1.816 -10.615   4.173
   45    HB2  SER   5           1HB      SER   5   0.425  -8.857   3.129
   46    HB3  SER   5           2HB      SER   5   0.602 -10.325   4.090
   47    HG   SER   5           HG       SER   5   0.851 -10.458   1.693
   48    H    GLU   6           H        GLU   6  -2.084 -10.185   6.270
   49    HA   GLU   6           HA       GLU   6  -2.925  -7.809   7.317
   50    HB2  GLU   6           1HB      GLU   6  -3.097 -10.011   8.426
   51    HB3  GLU   6           2HB      GLU   6  -1.381  -9.937   8.805
   52    HG2  GLU   6           1HG      GLU   6  -1.814  -7.887  10.124
   53    HG3  GLU   6           2HG      GLU   6  -3.538  -8.107   9.822
   54    H    ASN   7           H        ASN   7   0.381  -8.994   7.163
   55    HA   ASN   7           HA       ASN   7   1.570  -6.973   8.743
   56    HB2  ASN   7           1HB      ASN   7   2.646  -8.860   6.660
   57    HB3  ASN   7           2HB      ASN   7   3.681  -7.693   7.473
   58   HD21  ASN   7          1HD2      ASN   7   4.300  -8.042   9.541
   59   HD22  ASN   7          2HD2      ASN   7   3.946  -9.495  10.426
   60    H    VAL   8           H        VAL   8   0.210  -6.783   5.608
   61    HA   VAL   8           HA       VAL   8   2.154  -4.874   4.616
   62    HB   VAL   8           HB       VAL   8  -0.514  -5.736   3.506
   63   HG11  VAL   8          1HG1      VAL   8   1.653  -4.128   2.179
   64   HG12  VAL   8          2HG1      VAL   8   0.152  -3.456   2.821
   65   HG13  VAL   8          3HG1      VAL   8   0.106  -4.601   1.479
   66   HG21  VAL   8          3HG2      VAL   8   2.304  -6.462   2.705
   67   HG22  VAL   8          1HG2      VAL   8   0.829  -7.003   1.905
   68   HG23  VAL   8          2HG2      VAL   8   1.173  -7.511   3.560
   69    H    GLU   9           H        GLU   9  -1.005  -4.854   6.098
   70    HA   GLU   9           HA       GLU   9  -1.841  -2.252   5.613
   71    HB2  GLU   9           1HB      GLU   9  -3.100  -4.106   6.792
   72    HB3  GLU   9           2HB      GLU   9  -2.150  -3.747   8.227
   73    HG2  GLU   9           1HG      GLU   9  -3.048  -1.401   8.099
   74    HG3  GLU   9           2HG      GLU   9  -4.152  -1.983   6.852
   75    H    GLU  10           H        GLU  10   0.143  -3.525   8.239
   76    HA   GLU  10           HA       GLU  10   0.675  -1.038   9.470
   77    HB2  GLU  10           1HB      GLU  10   0.902  -3.037  10.764
   78    HB3  GLU  10           2HB      GLU  10   2.045  -3.731   9.616
   79    HG2  GLU  10           1HG      GLU  10   3.639  -1.934  10.194
   80    HG3  GLU  10           2HG      GLU  10   2.504  -1.359  11.414
   81    H    LYS  11           H        LYS  11   2.692  -3.109   7.390
   82    HA   LYS  11           HA       LYS  11   4.965  -1.460   7.572
   83    HB2  LYS  11           1HB      LYS  11   4.980  -3.878   7.036
   84    HB3  LYS  11           2HB      LYS  11   4.318  -3.507   5.453
   85    HG2  LYS  11           1HG      LYS  11   6.295  -2.279   4.855
   86    HG3  LYS  11           2HG      LYS  11   6.947  -2.469   6.481
   87    HD2  LYS  11           1HD      LYS  11   6.315  -4.785   4.656
   88    HD3  LYS  11           2HD      LYS  11   7.911  -4.038   4.773
   89    HE2  LYS  11           1HE      LYS  11   7.971  -4.572   7.165
   90    HE3  LYS  11           2HE      LYS  11   6.384  -5.325   7.035
   91    HZ1  LYS  11           3HZ      LYS  11   7.298  -6.964   5.537
   92    HZ2  LYS  11           1HZ      LYS  11   8.174  -6.952   6.988
   93    HZ3  LYS  11           2HZ      LYS  11   8.824  -6.226   5.601
   94    H    LEU  12           H        LEU  12   2.548  -1.793   4.963
   95    HA   LEU  12           HA       LEU  12   3.887  -0.006   3.212
   96    HB2  LEU  12           1HB      LEU  12   2.259  -1.652   2.433
   97    HB3  LEU  12           2HB      LEU  12   0.975  -0.798   3.263
   98    HG   LEU  12           HG       LEU  12   1.356   1.147   1.780
   99   HD11  LEU  12          1HD1      LEU  12   3.243  -0.700   0.322
  100   HD12  LEU  12          2HD1      LEU  12   3.728   0.697   1.282
  101   HD13  LEU  12          3HD1      LEU  12   2.765   0.921  -0.181
  102   HD21  LEU  12          3HD2      LEU  12  -0.347  -0.515   1.236
  103   HD22  LEU  12          1HD2      LEU  12   0.850  -1.458   0.348
  104   HD23  LEU  12          2HD2      LEU  12   0.387   0.145  -0.226
  105    H    LYS  13           H        LYS  13   1.406   0.429   5.678
  106    HA   LYS  13           HA       LYS  13   0.736   3.091   5.305
  107    HB2  LYS  13           1HB      LYS  13  -0.334   1.804   7.029
  108    HB3  LYS  13           2HB      LYS  13   1.197   1.529   7.843
  109    HG2  LYS  13           1HG      LYS  13   1.295   4.045   8.186
  110    HG3  LYS  13           2HG      LYS  13  -0.392   4.071   7.674
  111    HD2  LYS  13           1HD      LYS  13  -0.277   4.000  10.088
  112    HD3  LYS  13           2HD      LYS  13  -0.933   2.476   9.484
  113    HE2  LYS  13           1HE      LYS  13   1.254   1.419   9.760
  114    HE3  LYS  13           2HE      LYS  13   1.933   2.948  10.319
  115    HZ1  LYS  13           3HZ      LYS  13  -0.284   1.522  11.683
  116    HZ2  LYS  13           1HZ      LYS  13   0.573   2.868  12.252
  117    HZ3  LYS  13           2HZ      LYS  13   1.348   1.371  12.113
  118    H    GLU  14           H        GLU  14   3.459   1.754   7.131
  119    HA   GLU  14           HA       GLU  14   4.514   4.325   7.793
  120    HB2  GLU  14           1HB      GLU  14   5.835   1.615   7.954
  121    HB3  GLU  14           2HB      GLU  14   6.356   3.081   8.778
  122    HG2  GLU  14           1HG      GLU  14   4.197   3.106   9.992
  123    HG3  GLU  14           2HG      GLU  14   3.799   1.560   9.237
  124    H    PHE  15           H        PHE  15   4.896   2.154   5.134
  125    HA   PHE  15           HA       PHE  15   7.434   3.185   4.297
  126    HB2  PHE  15           1HB      PHE  15   6.041   0.925   3.717
  127    HB3  PHE  15           2HB      PHE  15   5.713   1.887   2.282
  128    HD1  PHE  15           HD1      PHE  15   8.727   1.551   4.428
  129    HD2  PHE  15           HD2      PHE  15   7.064   1.043   0.531
  130    HE1  PHE  15           HE1      PHE  15  10.929   0.887   3.572
  131    HE2  PHE  15           HE2      PHE  15   9.269   0.377  -0.313
  132    HZ   PHE  15           HZ       PHE  15  11.203   0.299   1.200
  133    H    VAL  16           H        VAL  16   4.096   4.009   3.723
  134    HA   VAL  16           HA       VAL  16   4.836   5.928   1.655
  135    HB   VAL  16           HB       VAL  16   2.125   5.347   2.872
  136   HG11  VAL  16          1HG1      VAL  16   2.255   7.622   2.000
  137   HG12  VAL  16          2HG1      VAL  16   1.222   6.619   0.982
  138   HG13  VAL  16          3HG1      VAL  16   2.862   7.006   0.463
  139   HG21  VAL  16          3HG2      VAL  16   3.018   3.462   1.612
  140   HG22  VAL  16          1HG2      VAL  16   3.311   4.518   0.231
  141   HG23  VAL  16          2HG2      VAL  16   1.661   4.202   0.764
  142    H    LYS  17           H        LYS  17   3.402   5.924   4.914
  143    HA   LYS  17           HA       LYS  17   3.262   8.769   5.108
  144    HB2  LYS  17           1HB      LYS  17   3.177   6.667   7.283
  145    HB3  LYS  17           2HB      LYS  17   2.780   8.362   7.504
  146    HG2  LYS  17           1HG      LYS  17   1.302   6.500   5.666
  147    HG3  LYS  17           2HG      LYS  17   0.824   6.868   7.324
  148    HD2  LYS  17           1HD      LYS  17   0.699   9.272   6.699
  149    HD3  LYS  17           2HD      LYS  17   1.049   8.823   5.031
  150    HE2  LYS  17           1HE      LYS  17  -0.993   7.538   4.903
  151    HE3  LYS  17           2HE      LYS  17  -1.324   7.819   6.612
  152    HZ1  LYS  17           3HZ      LYS  17  -1.348   9.818   4.418
  153    HZ2  LYS  17           1HZ      LYS  17  -1.400  10.236   6.062
  154    HZ3  LYS  17           2HZ      LYS  17  -2.646   9.317   5.388
  155    H    ARG  18           H        ARG  18   5.347   6.368   6.699
  156    HA   ARG  18           HA       ARG  18   6.809   8.500   7.997
  157    HB2  ARG  18           1HB      ARG  18   6.843   5.500   8.246
  158    HB3  ARG  18           2HB      ARG  18   7.977   6.532   9.108
  159    HG2  ARG  18           1HG      ARG  18   6.231   7.586  10.323
  160    HG3  ARG  18           2HG      ARG  18   4.997   6.840   9.306
  161    HD2  ARG  18           1HD      ARG  18   5.325   4.731  10.247
  162    HD3  ARG  18           2HD      ARG  18   6.895   5.175  10.923
  163    HE   ARG  18           HE       ARG  18   4.832   6.782  12.029
  164   HH11  ARG  18          1HH1      ARG  18   6.120   3.506  12.183
  165   HH12  ARG  18          2HH1      ARG  18   5.672   3.290  13.848
  166   HH21  ARG  18          1HH2      ARG  18   4.244   6.465  14.216
  167   HH22  ARG  18          2HH2      ARG  18   4.614   4.951  14.994
  168    H    HIS  19           H        HIS  19   7.156   6.704   5.158
  169    HA   HIS  19           HA       HIS  19  10.051   7.142   5.163
  170    HB2  HIS  19           1HB      HIS  19   8.315   5.259   3.594
  171    HB3  HIS  19           2HB      HIS  19   9.946   5.651   3.063
  172    HD1  HIS  19           HD1      HIS  19   8.201   4.150   6.110
  173    HD2  HIS  19           HD2      HIS  19  11.882   4.165   4.180
  174    HE1  HIS  19           HE1      HIS  19   9.647   2.464   7.321
  175    H    GLN  20           H        GLN  20  10.509   7.167   2.436
  176    HA   GLN  20           HA       GLN  20   9.939   9.943   1.947
  177    HB2  GLN  20           1HB      GLN  20  11.544   7.931   0.365
  178    HB3  GLN  20           2HB      GLN  20  11.474   9.655   0.022
  179    HG2  GLN  20           1HG      GLN  20  12.424  10.108   2.245
  180    HG3  GLN  20           2HG      GLN  20  12.555   8.372   2.523
  181   HE21  GLN  20          1HE2      GLN  20  13.777  11.098   0.772
  182   HE22  GLN  20          2HE2      GLN  20  15.221  10.342   0.191
  183    H    ARG  21           H        ARG  21   7.666   8.153   1.755
  184    HA   ARG  21           HA       ARG  21   5.717   8.197   0.597
  185    HB2  ARG  21           1HB      ARG  21   6.238  10.457  -0.128
  186    HB3  ARG  21           2HB      ARG  21   7.260   9.834  -1.415
  187    HG2  ARG  21           1HG      ARG  21   5.132   8.668  -2.262
  188    HG3  ARG  21           2HG      ARG  21   4.277   9.790  -1.200
  189    HD2  ARG  21           1HD      ARG  21   4.411  10.693  -3.448
  190    HD3  ARG  21           2HD      ARG  21   5.368  11.672  -2.336
  191    HE   ARG  21           HE       ARG  21   7.173   9.912  -3.339
  192   HH11  ARG  21          1HH1      ARG  21   4.916  12.156  -4.796
  193   HH12  ARG  21          2HH1      ARG  21   5.879  12.395  -6.223
  194   HH21  ARG  21          1HH2      ARG  21   8.456  10.234  -5.189
  195   HH22  ARG  21          2HH2      ARG  21   7.895  11.302  -6.453
  196    H    ILE  22           H        ILE  22   8.522   7.636  -1.461
  197    HA   ILE  22           HA       ILE  22   9.117   6.107  -2.972
  198    HB   ILE  22           HB       ILE  22   8.414   4.499  -1.112
  199   HG12  ILE  22          1HG1      ILE  22   8.340   3.462  -3.949
  200   HG13  ILE  22          2HG1      ILE  22   9.811   3.930  -3.100
  201   HG21  ILE  22          1HG2      ILE  22   6.569   2.946  -1.749
  202   HG22  ILE  22          2HG2      ILE  22   6.082   4.121  -2.973
  203   HG23  ILE  22          3HG2      ILE  22   6.029   4.556  -1.267
  204   HD11  ILE  22          3HD1      ILE  22   9.450   2.189  -1.474
  205   HD12  ILE  22          1HD1      ILE  22   9.446   1.516  -3.103
  206   HD13  ILE  22          2HD1      ILE  22   7.924   1.755  -2.243
  207    H    THR  23           H        THR  23   8.793   5.593  -5.070
  208    HA   THR  23           HA       THR  23   6.552   6.827  -6.357
  209    HB   THR  23           HB       THR  23   7.680   5.891  -8.445
  210    HG1  THR  23           HG1      THR  23   9.636   4.908  -8.208
  211   HG21  THR  23          3HG2      THR  23   9.314   7.639  -6.599
  212   HG22  THR  23          1HG2      THR  23   8.023   8.189  -7.666
  213   HG23  THR  23          2HG2      THR  23   9.505   7.522  -8.346
  214    H    GLN  24           H        GLN  24   4.982   5.841  -7.656
  215    HA   GLN  24           HA       GLN  24   3.807   3.522  -6.636
  216    HB2  GLN  24           1HB      GLN  24   2.604   5.287  -7.895
  217    HB3  GLN  24           2HB      GLN  24   3.380   4.737  -9.374
  218    HG2  GLN  24           1HG      GLN  24   2.312   2.527  -9.060
  219    HG3  GLN  24           2HG      GLN  24   1.467   3.173  -7.655
  220   HE21  GLN  24          1HE2      GLN  24   1.089   5.800  -8.930
  221   HE22  GLN  24          2HE2      GLN  24  -0.163   5.575 -10.105
  222    H    GLU  25           H        GLU  25   5.928   3.967  -9.418
  223    HA   GLU  25           HA       GLU  25   5.814   1.477 -10.614
  224    HB2  GLU  25           1HB      GLU  25   7.134   3.387 -11.460
  225    HB3  GLU  25           2HB      GLU  25   8.280   3.170 -10.147
  226    HG2  GLU  25           1HG      GLU  25   9.228   2.222 -12.103
  227    HG3  GLU  25           2HG      GLU  25   8.763   0.894 -11.042
  228    H    GLU  26           H        GLU  26   8.148   2.474  -8.124
  229    HA   GLU  26           HA       GLU  26   9.138  -0.156  -7.723
  230    HB2  GLU  26           1HB      GLU  26  10.449   1.899  -7.312
  231    HB3  GLU  26           2HB      GLU  26   9.396   2.286  -5.961
  232    HG2  GLU  26           1HG      GLU  26  10.172   0.425  -4.716
  233    HG3  GLU  26           2HG      GLU  26  11.015  -0.235  -6.119
  234    H    LEU  27           H        LEU  27   6.654   1.795  -6.231
  235    HA   LEU  27           HA       LEU  27   6.189   0.326  -3.901
  236    HB2  LEU  27           1HB      LEU  27   5.204   2.562  -4.546
  237    HB3  LEU  27           2HB      LEU  27   4.083   1.700  -5.571
  238    HG   LEU  27           HG       LEU  27   4.232   1.105  -2.624
  239   HD11  LEU  27          1HD1      LEU  27   2.438   2.724  -2.276
  240   HD12  LEU  27          2HD1      LEU  27   2.564   3.234  -3.960
  241   HD13  LEU  27          3HD1      LEU  27   3.906   3.518  -2.850
  242   HD21  LEU  27          3HD2      LEU  27   2.001   0.894  -4.653
  243   HD22  LEU  27          1HD2      LEU  27   1.911   0.417  -2.956
  244   HD23  LEU  27          2HD2      LEU  27   2.978  -0.451  -4.062
  245    H    HIS  28           H        HIS  28   4.831  -0.082  -7.171
  246    HA   HIS  28           HA       HIS  28   3.022  -2.117  -6.405
  247    HB2  HIS  28           1HB      HIS  28   3.002  -0.696  -8.559
  248    HB3  HIS  28           2HB      HIS  28   4.151  -1.879  -9.186
  249    HD1  HIS  28           HD1      HIS  28   2.959  -4.506  -8.248
  250    HD2  HIS  28           HD2      HIS  28   0.655  -1.367  -9.699
  251    HE1  HIS  28           HE1      HIS  28   0.759  -5.513  -8.941
  252    H    GLN  29           H        GLN  29   6.342  -2.219  -7.623
  253    HA   GLN  29           HA       GLN  29   6.465  -5.049  -7.791
  254    HB2  GLN  29           1HB      GLN  29   8.085  -3.552  -8.917
  255    HB3  GLN  29           2HB      GLN  29   8.718  -3.077  -7.347
  256    HG2  GLN  29           1HG      GLN  29  10.118  -4.747  -8.475
  257    HG3  GLN  29           2HG      GLN  29   9.497  -5.313  -6.925
  258   HE21  GLN  29          1HE2      GLN  29   9.740  -7.469  -7.465
  259   HE22  GLN  29          2HE2      GLN  29   8.697  -8.263  -8.598
  260    H    TYR  30           H        TYR  30   7.119  -2.703  -5.261
  261    HA   TYR  30           HA       TYR  30   8.091  -4.496  -3.313
  262    HB2  TYR  30           1HB      TYR  30   8.329  -2.026  -3.218
  263    HB3  TYR  30           2HB      TYR  30   6.600  -1.891  -2.925
  264    HD1  TYR  30           HD1      TYR  30   9.561  -3.682  -1.521
  265    HD2  TYR  30           HD2      TYR  30   5.933  -1.606  -0.730
  266    HE1  TYR  30           HE1      TYR  30   9.983  -3.876   0.891
  267    HE2  TYR  30           HE2      TYR  30   6.348  -1.793   1.687
  268    HH   TYR  30           HH       TYR  30   9.347  -2.726   2.968
  269    H    ALA  31           H        ALA  31   4.875  -3.568  -4.345
  270    HA   ALA  31           HA       ALA  31   3.411  -4.647  -2.197
  271    HB1  ALA  31           3HB      ALA  31   2.607  -4.336  -5.092
  272    HB2  ALA  31           1HB      ALA  31   2.428  -3.118  -3.830
  273    HB3  ALA  31           2HB      ALA  31   1.508  -4.620  -3.740
  274    H    GLN  32           H        GLN  32   4.500  -6.012  -5.268
  275    HA   GLN  32           HA       GLN  32   3.266  -8.545  -4.888
  276    HB2  GLN  32           1HB      GLN  32   5.540  -7.709  -6.689
  277    HB3  GLN  32           2HB      GLN  32   4.753  -9.281  -6.741
  278    HG2  GLN  32           1HG      GLN  32   2.627  -8.201  -7.278
  279    HG3  GLN  32           2HG      GLN  32   3.422  -6.628  -7.251
  280   HE21  GLN  32          1HE2      GLN  32   3.041  -9.620  -8.956
  281   HE22  GLN  32          2HE2      GLN  32   3.777  -9.108 -10.438
  282    H    ARG  33           H        ARG  33   6.269  -7.134  -3.906
  283    HA   ARG  33           HA       ARG  33   7.606  -9.497  -3.111
  284    HB2  ARG  33           1HB      ARG  33   8.882  -7.493  -3.338
  285    HB3  ARG  33           2HB      ARG  33   7.823  -6.616  -2.246
  286    HG2  ARG  33           1HG      ARG  33   8.606  -8.019  -0.389
  287    HG3  ARG  33           2HG      ARG  33   9.709  -8.838  -1.496
  288    HD2  ARG  33           1HD      ARG  33  10.961  -6.857  -1.853
  289    HD3  ARG  33           2HD      ARG  33   9.733  -5.860  -1.071
  290    HE   ARG  33           HE       ARG  33  10.773  -7.843   0.697
  291   HH11  ARG  33          1HH1      ARG  33  11.567  -4.739  -0.745
  292   HH12  ARG  33          2HH1      ARG  33  12.493  -4.202   0.630
  293   HH21  ARG  33          1HH2      ARG  33  11.968  -7.141   2.486
  294   HH22  ARG  33          2HH2      ARG  33  12.712  -5.569   2.476
  295    H    LEU  34           H        LEU  34   5.264  -7.392  -1.532
  296    HA   LEU  34           HA       LEU  34   5.526  -8.727   1.022
  297    HB2  LEU  34           1HB      LEU  34   3.525  -6.668   0.098
  298    HB3  LEU  34           2HB      LEU  34   3.742  -7.211   1.749
  299    HG   LEU  34           HG       LEU  34   5.768  -5.683   0.109
  300   HD11  LEU  34          1HD1      LEU  34   5.332  -3.885   1.720
  301   HD12  LEU  34          2HD1      LEU  34   4.067  -4.863   2.461
  302   HD13  LEU  34          3HD1      LEU  34   3.889  -4.305   0.796
  303   HD21  LEU  34          3HD2      LEU  34   5.882  -6.606   2.979
  304   HD22  LEU  34          1HD2      LEU  34   7.068  -5.577   2.176
  305   HD23  LEU  34          2HD2      LEU  34   6.844  -7.246   1.648
  306    H    GLY  35           H        GLY  35   3.771  -9.263  -1.829
  307    HA2  GLY  35           1HA      GLY  35   2.390 -11.155  -2.175
  308    HA3  GLY  35           2HA      GLY  35   2.086 -11.219  -0.446
  309    H    LEU  36           H        LEU  36   1.785  -8.473  -2.679
  310    HA   LEU  36           HA       LEU  36  -0.842  -8.024  -1.495
  311    HB2  LEU  36           1HB      LEU  36   1.114  -6.238  -2.869
  312    HB3  LEU  36           2HB      LEU  36  -0.572  -5.773  -2.732
  313    HG   LEU  36           HG       LEU  36   1.359  -6.275  -0.470
  314   HD11  LEU  36          1HD1      LEU  36  -0.231  -3.858  -1.337
  315   HD12  LEU  36          2HD1      LEU  36   1.506  -4.085  -1.542
  316   HD13  LEU  36          3HD1      LEU  36   0.819  -3.949   0.077
  317   HD21  LEU  36          3HD2      LEU  36  -1.635  -5.952  -0.463
  318   HD22  LEU  36          1HD2      LEU  36  -0.627  -5.686   0.960
  319   HD23  LEU  36          2HD2      LEU  36  -0.685  -7.277   0.203
  320    H    ASN  37           H        ASN  37  -2.636  -7.943  -2.482
  321    HA   ASN  37           HA       ASN  37  -2.827  -8.218  -5.382
  322    HB2  ASN  37           1HB      ASN  37  -5.317  -8.425  -4.810
  323    HB3  ASN  37           2HB      ASN  37  -4.280  -9.724  -4.246
  324   HD21  ASN  37          1HD2      ASN  37  -4.298  -6.587  -2.632
  325   HD22  ASN  37          2HD2      ASN  37  -5.137  -7.146  -1.211
  326    H    GLU  38           H        GLU  38  -4.591  -6.715  -6.380
  327    HA   GLU  38           HA       GLU  38  -3.726  -4.070  -5.932
  328    HB2  GLU  38           1HB      GLU  38  -6.009  -5.163  -7.546
  329    HB3  GLU  38           2HB      GLU  38  -5.600  -3.453  -7.502
  330    HG2  GLU  38           1HG      GLU  38  -3.294  -4.097  -8.262
  331    HG3  GLU  38           2HG      GLU  38  -3.925  -5.723  -8.531
  332    H    GLU  39           H        GLU  39  -6.012  -5.835  -4.186
  333    HA   GLU  39           HA       GLU  39  -7.918  -3.964  -3.450
  334    HB2  GLU  39           1HB      GLU  39  -8.115  -6.211  -2.641
  335    HB3  GLU  39           2HB      GLU  39  -6.547  -6.133  -1.854
  336    HG2  GLU  39           1HG      GLU  39  -8.198  -6.017  -0.163
  337    HG3  GLU  39           2HG      GLU  39  -7.480  -4.417  -0.310
  338    H    ALA  40           H        ALA  40  -4.832  -4.633  -1.832
  339    HA   ALA  40           HA       ALA  40  -4.979  -2.303  -0.178
  340    HB1  ALA  40           3HB      ALA  40  -2.742  -2.895   0.542
  341    HB2  ALA  40           1HB      ALA  40  -2.593  -4.040  -0.791
  342    HB3  ALA  40           2HB      ALA  40  -3.758  -4.335   0.497
  343    H    ILE  41           H        ILE  41  -3.431  -3.135  -3.209
  344    HA   ILE  41           HA       ILE  41  -1.621  -1.015  -3.302
  345    HB   ILE  41           HB       ILE  41  -2.869  -2.436  -5.648
  346   HG12  ILE  41          1HG1      ILE  41  -0.324  -3.025  -4.122
  347   HG13  ILE  41          2HG1      ILE  41  -1.799  -3.985  -4.071
  348   HG21  ILE  41          1HG2      ILE  41  -0.322  -0.835  -5.440
  349   HG22  ILE  41          2HG2      ILE  41  -1.789  -0.365  -6.302
  350   HG23  ILE  41          3HG2      ILE  41  -0.845  -1.749  -6.855
  351   HD11  ILE  41          3HD1      ILE  41  -0.082  -3.545  -6.504
  352   HD12  ILE  41          1HD1      ILE  41  -1.535  -4.540  -6.421
  353   HD13  ILE  41          2HD1      ILE  41  -0.101  -4.993  -5.499
  354    H    ARG  42           H        ARG  42  -4.831  -1.364  -4.777
  355    HA   ARG  42           HA       ARG  42  -4.811   1.297  -5.830
  356    HB2  ARG  42           1HB      ARG  42  -6.937  -0.814  -5.616
  357    HB3  ARG  42           2HB      ARG  42  -7.268   0.788  -6.253
  358    HG2  ARG  42           1HG      ARG  42  -5.650   0.464  -8.000
  359    HG3  ARG  42           2HG      ARG  42  -5.254  -1.141  -7.371
  360    HD2  ARG  42           1HD      ARG  42  -7.672  -1.741  -7.701
  361    HD3  ARG  42           2HD      ARG  42  -7.868  -0.203  -8.539
  362    HE   ARG  42           HE       ARG  42  -5.788  -1.991  -9.531
  363   HH11  ARG  42          1HH1      ARG  42  -9.030  -0.686  -9.923
  364   HH12  ARG  42          2HH1      ARG  42  -9.172  -1.242 -11.560
  365   HH21  ARG  42          1HH2      ARG  42  -5.970  -2.697 -11.651
  366   HH22  ARG  42          2HH2      ARG  42  -7.419  -2.377 -12.566
  367    H    GLN  43           H        GLN  43  -5.957  -0.217  -2.898
  368    HA   GLN  43           HA       GLN  43  -7.883   1.622  -2.100
  369    HB2  GLN  43           1HB      GLN  43  -7.264  -0.562  -0.945
  370    HB3  GLN  43           2HB      GLN  43  -5.953   0.334  -0.180
  371    HG2  GLN  43           1HG      GLN  43  -7.877   1.986   0.477
  372    HG3  GLN  43           2HG      GLN  43  -8.892   0.570   0.218
  373   HE21  GLN  43          1HE2      GLN  43  -9.462   0.379   2.349
  374   HE22  GLN  43          2HE2      GLN  43  -8.356  -0.125   3.574
  375    H    PHE  44           H        PHE  44  -4.384   1.663  -1.459
  376    HA   PHE  44           HA       PHE  44  -4.340   3.954   0.120
  377    HB2  PHE  44           1HB      PHE  44  -2.385   2.366  -1.418
  378    HB3  PHE  44           2HB      PHE  44  -1.905   4.005  -1.021
  379    HD1  PHE  44           HD1      PHE  44  -3.229   0.896   0.535
  380    HD2  PHE  44           HD2      PHE  44  -0.985   4.474   1.052
  381    HE1  PHE  44           HE1      PHE  44  -2.583   0.160   2.794
  382    HE2  PHE  44           HE2      PHE  44  -0.335   3.746   3.307
  383    HZ   PHE  44           HZ       PHE  44  -1.130   1.586   4.187
  384    H    PHE  45           H        PHE  45  -4.408   3.569  -3.351
  385    HA   PHE  45           HA       PHE  45  -3.900   6.411  -3.735
  386    HB2  PHE  45           1HB      PHE  45  -4.202   4.162  -5.726
  387    HB3  PHE  45           2HB      PHE  45  -3.926   5.843  -6.167
  388    HD1  PHE  45           HD1      PHE  45  -1.842   6.957  -5.026
  389    HD2  PHE  45           HD2      PHE  45  -2.393   2.767  -5.505
  390    HE1  PHE  45           HE1      PHE  45   0.585   6.619  -4.814
  391    HE2  PHE  45           HE2      PHE  45   0.032   2.419  -5.293
  392    HZ   PHE  45           HZ       PHE  45   1.526   4.346  -4.950
  393    H    GLU  46           H        GLU  46  -6.356   4.109  -4.971
  394    HA   GLU  46           HA       GLU  46  -7.823   6.239  -6.161
  395    HB2  GLU  46           1HB      GLU  46  -9.069   4.611  -7.206
  396    HB3  GLU  46           2HB      GLU  46  -7.590   3.729  -6.853
  397    HG2  GLU  46           1HG      GLU  46  -8.626   2.659  -4.952
  398    HG3  GLU  46           2HG      GLU  46 -10.090   3.615  -5.180
  399    H    GLU  47           H        GLU  47  -8.296   4.295  -3.257
  400    HA   GLU  47           HA       GLU  47 -10.400   6.154  -2.436
  401    HB2  GLU  47           1HB      GLU  47 -11.495   4.156  -3.450
  402    HB3  GLU  47           2HB      GLU  47 -10.708   3.149  -2.242
  403    HG2  GLU  47           1HG      GLU  47 -11.903   4.334  -0.472
  404    HG3  GLU  47           2HG      GLU  47 -12.677   5.360  -1.678
  405    H    PHE  48           H        PHE  48  -8.319   6.748  -1.391
  406    HA   PHE  48           HA       PHE  48  -7.130   5.247   0.657
  407    HB2  PHE  48           1HB      PHE  48  -6.244   7.336  -0.496
  408    HB3  PHE  48           2HB      PHE  48  -7.324   8.264   0.530
  409    HD1  PHE  48           HD1      PHE  48  -4.451   5.949   0.576
  410    HD2  PHE  48           HD2      PHE  48  -6.710   8.844   2.709
  411    HE1  PHE  48           HE1      PHE  48  -2.706   6.020   2.302
  412    HE2  PHE  48           HE2      PHE  48  -4.972   8.929   4.442
  413    HZ   PHE  48           HZ       PHE  48  -2.963   7.516   4.244
  414    H    GLU  49           H        GLU  49  -9.337   7.991   0.931
  415    HA   GLU  49           HA       GLU  49 -11.170   6.990   2.702
  416    HB2  GLU  49           1HB      GLU  49 -10.538   7.969   4.869
  417    HB3  GLU  49           2HB      GLU  49  -9.384   6.745   4.362
  418    HG2  GLU  49           1HG      GLU  49  -7.818   8.467   3.673
  419    HG3  GLU  49           2HG      GLU  49  -8.981   9.722   4.106
  420    H    GLN  50           H        GLN  50  -9.238   9.708   1.696
  421    HA   GLN  50           HA       GLN  50 -11.515  11.520   1.975
  422    HB2  GLN  50           1HB      GLN  50  -8.678  12.168   1.137
  423    HB3  GLN  50           2HB      GLN  50  -9.929  13.311   1.617
  424    HG2  GLN  50           1HG      GLN  50  -9.902  12.435   3.877
  425    HG3  GLN  50           2HG      GLN  50  -8.720  11.214   3.407
  426   HE21  GLN  50          1HE2      GLN  50  -7.275  13.106   1.701
  427   HE22  GLN  50          2HE2      GLN  50  -6.379  14.125   2.773
  428    H    ARG  51           H        ARG  51  -9.264  10.152  -0.376
  429    HA   ARG  51           HA       ARG  51 -10.844  11.039  -2.633
  430    HB2  ARG  51           1HB      ARG  51  -8.838   8.783  -2.646
  431    HB3  ARG  51           2HB      ARG  51  -9.336   9.797  -3.990
  432    HG2  ARG  51           1HG      ARG  51  -8.154  11.679  -3.046
  433    HG3  ARG  51           2HG      ARG  51  -7.728  10.723  -1.622
  434    HD2  ARG  51           1HD      ARG  51  -6.678   9.087  -3.316
  435    HD3  ARG  51           2HD      ARG  51  -6.763  10.438  -4.445
  436    HE   ARG  51           HE       ARG  51  -5.366  11.689  -2.817
  437   HH11  ARG  51          1HH1      ARG  51  -5.379   8.189  -2.839
  438   HH12  ARG  51          2HH1      ARG  51  -3.829   8.037  -2.074
  439   HH21  ARG  51          1HH2      ARG  51  -3.291  11.511  -1.834
  440   HH22  ARG  51          2HH2      ARG  51  -2.628   9.935  -1.532
  441    H    LYS  52           H        LYS  52 -12.702  10.054  -3.232
  442    HA   LYS  52           HA       LYS  52 -12.999   7.206  -3.077
  443    HB2  LYS  52           1HB      LYS  52 -15.022   7.283  -1.599
  444    HB3  LYS  52           2HB      LYS  52 -13.511   7.641  -0.775
  445    HG2  LYS  52           1HG      LYS  52 -14.019  10.036  -0.912
  446    HG3  LYS  52           2HG      LYS  52 -15.553   9.651  -1.695
  447    HD2  LYS  52           1HD      LYS  52 -16.211   8.360   0.296
  448    HD3  LYS  52           2HD      LYS  52 -14.700   8.831   1.079
  449    HE2  LYS  52           1HE      LYS  52 -16.516  10.255   1.824
  450    HE3  LYS  52           2HE      LYS  52 -15.351  11.188   0.884
  451    HZ1  LYS  52           3HZ      LYS  52 -16.839  10.946  -1.044
  452    HZ2  LYS  52           1HZ      LYS  52 -17.573  11.778   0.237
  453    HZ3  LYS  52           2HZ      LYS  52 -17.972  10.156  -0.068
  Start of MODEL   33
    1    H1   MET   1           1H       MET   1 -12.511  -7.189   3.360
    2    H2   MET   1           2H       MET   1 -11.672  -8.431   2.571
    3    H3   MET   1           3H       MET   1 -10.838  -7.067   3.129
    4    HA   MET   1           HA       MET   1 -11.316  -7.636   5.404
    5    HB2  MET   1           1HB      MET   1 -13.485  -8.761   4.879
    6    HB3  MET   1           2HB      MET   1 -12.582 -10.131   4.254
    7    HG2  MET   1           1HG      MET   1 -13.287 -10.668   6.450
    8    HG3  MET   1           2HG      MET   1 -11.547 -10.390   6.497
    9    HE1  MET   1           3HE      MET   1 -14.722  -7.428   8.060
   10    HE2  MET   1           1HE      MET   1 -15.094  -9.052   7.484
   11    HE3  MET   1           2HE      MET   1 -14.533  -7.823   6.351
   12    H    LYS   2           H        LYS   2 -10.989 -10.798   3.820
   13    HA   LYS   2           HA       LYS   2  -8.148 -10.785   4.544
   14    HB2  LYS   2           1HB      LYS   2 -10.101 -12.960   3.875
   15    HB3  LYS   2           2HB      LYS   2  -8.384 -13.250   3.666
   16    HG2  LYS   2           1HG      LYS   2  -9.008 -14.109   5.787
   17    HG3  LYS   2           2HG      LYS   2  -8.067 -12.645   6.070
   18    HD2  LYS   2           1HD      LYS   2 -10.069 -11.385   6.507
   19    HD3  LYS   2           2HD      LYS   2 -11.079 -12.761   6.063
   20    HE2  LYS   2           1HE      LYS   2 -10.954 -12.545   8.479
   21    HE3  LYS   2           2HE      LYS   2 -10.168 -14.032   7.955
   22    HZ1  LYS   2           3HZ      LYS   2  -8.689 -11.525   8.529
   23    HZ2  LYS   2           1HZ      LYS   2  -8.043 -13.074   8.300
   24    HZ3  LYS   2           2HZ      LYS   2  -8.957 -12.733   9.685
   25    H    GLN   3           H        GLN   3  -7.016  -9.753   3.023
   26    HA   GLN   3           HA       GLN   3  -7.251 -10.692   0.254
   27    HB2  GLN   3           1HB      GLN   3  -7.336  -7.807   1.156
   28    HB3  GLN   3           2HB      GLN   3  -6.960  -8.278  -0.494
   29    HG2  GLN   3           1HG      GLN   3  -9.512  -9.021   0.914
   30    HG3  GLN   3           2HG      GLN   3  -9.325  -7.586  -0.092
   31   HE21  GLN   3          1HE2      GLN   3 -11.062  -9.929  -0.414
   32   HE22  GLN   3          2HE2      GLN   3 -10.695 -10.575  -1.982
   33    H    TRP   4           H        TRP   4  -5.490  -8.130   1.945
   34    HA   TRP   4           HA       TRP   4  -2.967  -9.018   0.895
   35    HB2  TRP   4           1HB      TRP   4  -2.200  -7.230   2.718
   36    HB3  TRP   4           2HB      TRP   4  -2.848  -6.744   1.167
   37    HD1  TRP   4           HD1      TRP   4  -4.432  -4.783   1.452
   38    HE1  TRP   4           HE1      TRP   4  -6.177  -4.017   3.169
   39    HE3  TRP   4           HE3      TRP   4  -3.921  -8.554   4.854
   40    HZ2  TRP   4           HZ2      TRP   4  -7.194  -4.886   5.642
   41    HZ3  TRP   4           HZ3      TRP   4  -5.316  -8.507   6.871
   42    HH2  TRP   4           HH2      TRP   4  -6.919  -6.707   7.258
   43    H    SER   5           H        SER   5  -1.127  -9.069   2.628
   44    HA   SER   5           HA       SER   5  -1.945 -10.752   4.856
   45    HB2  SER   5           1HB      SER   5   0.824  -9.817   4.081
   46    HB3  SER   5           2HB      SER   5   0.432 -11.066   5.264
   47    HG   SER   5           HG       SER   5   1.020 -11.696   2.976
   48    H    GLU   6           H        GLU   6  -2.261  -9.930   6.853
   49    HA   GLU   6           HA       GLU   6  -2.659  -7.242   7.328
   50    HB2  GLU   6           1HB      GLU   6  -3.481  -9.126   8.730
   51    HB3  GLU   6           2HB      GLU   6  -1.865  -9.294   9.398
   52    HG2  GLU   6           1HG      GLU   6  -1.994  -7.053  10.319
   53    HG3  GLU   6           2HG      GLU   6  -3.600  -6.849   9.618
   54    H    ASN   7           H        ASN   7   0.228  -9.131   8.114
   55    HA   ASN   7           HA       ASN   7   1.845  -7.226   9.278
   56    HB2  ASN   7           1HB      ASN   7   2.560  -9.391   7.301
   57    HB3  ASN   7           2HB      ASN   7   3.755  -8.480   8.212
   58   HD21  ASN   7          1HD2      ASN   7   4.561 -10.272   9.239
   59   HD22  ASN   7          2HD2      ASN   7   3.685 -11.115  10.473
   60    H    VAL   8           H        VAL   8   1.251  -7.817   5.867
   61    HA   VAL   8           HA       VAL   8   3.181  -5.995   4.865
   62    HB   VAL   8           HB       VAL   8   0.740  -7.135   3.496
   63   HG11  VAL   8          1HG1      VAL   8   1.504  -5.297   2.233
   64   HG12  VAL   8          2HG1      VAL   8   2.123  -6.748   1.439
   65   HG13  VAL   8          3HG1      VAL   8   3.189  -5.765   2.439
   66   HG21  VAL   8          3HG2      VAL   8   2.166  -8.910   4.322
   67   HG22  VAL   8          1HG2      VAL   8   3.576  -8.151   3.584
   68   HG23  VAL   8          2HG2      VAL   8   2.287  -8.795   2.565
   69    H    GLU   9           H        GLU   9  -0.337  -5.865   5.226
   70    HA   GLU   9           HA       GLU   9  -0.811  -3.379   4.077
   71    HB2  GLU   9           1HB      GLU   9  -2.539  -5.036   4.728
   72    HB3  GLU   9           2HB      GLU   9  -2.245  -4.655   6.417
   73    HG2  GLU   9           1HG      GLU   9  -2.904  -2.347   4.714
   74    HG3  GLU   9           2HG      GLU   9  -4.188  -3.540   4.893
   75    H    GLU  10           H        GLU  10  -0.103  -4.209   7.438
   76    HA   GLU  10           HA       GLU  10  -0.137  -1.645   8.542
   77    HB2  GLU  10           1HB      GLU  10  -0.087  -3.724   9.849
   78    HB3  GLU  10           2HB      GLU  10   1.546  -4.045   9.289
   79    HG2  GLU  10           1HG      GLU  10   1.650  -3.201  11.503
   80    HG3  GLU  10           2HG      GLU  10   2.283  -1.971  10.409
   81    H    LYS  11           H        LYS  11   2.543  -3.512   7.156
   82    HA   LYS  11           HA       LYS  11   4.548  -1.608   7.714
   83    HB2  LYS  11           1HB      LYS  11   5.080  -3.944   7.328
   84    HB3  LYS  11           2HB      LYS  11   4.486  -3.838   5.678
   85    HG2  LYS  11           1HG      LYS  11   6.280  -2.356   5.070
   86    HG3  LYS  11           2HG      LYS  11   6.822  -2.269   6.747
   87    HD2  LYS  11           1HD      LYS  11   6.770  -4.773   5.061
   88    HD3  LYS  11           2HD      LYS  11   8.202  -3.795   5.385
   89    HE2  LYS  11           1HE      LYS  11   6.527  -5.209   7.455
   90    HE3  LYS  11           2HE      LYS  11   8.086  -5.758   6.846
   91    HZ1  LYS  11           3HZ      LYS  11   8.299  -4.620   8.970
   92    HZ2  LYS  11           1HZ      LYS  11   7.611  -3.213   8.316
   93    HZ3  LYS  11           2HZ      LYS  11   9.108  -3.766   7.747
   94    H    LEU  12           H        LEU  12   2.555  -2.181   4.848
   95    HA   LEU  12           HA       LEU  12   3.853  -0.408   3.105
   96    HB2  LEU  12           1HB      LEU  12   1.222  -1.716   3.242
   97    HB3  LEU  12           2HB      LEU  12   1.271  -0.248   2.286
   98    HG   LEU  12           HG       LEU  12   1.600  -2.345   0.976
   99   HD11  LEU  12          1HD1      LEU  12   3.913  -0.424   0.970
  100   HD12  LEU  12          2HD1      LEU  12   2.383  -0.213   0.118
  101   HD13  LEU  12          3HD1      LEU  12   3.476  -1.522  -0.337
  102   HD21  LEU  12          3HD2      LEU  12   2.984  -3.447   2.783
  103   HD22  LEU  12          1HD2      LEU  12   4.328  -2.460   2.216
  104   HD23  LEU  12          2HD2      LEU  12   3.567  -3.616   1.125
  105    H    LYS  13           H        LYS  13   1.236   0.135   5.421
  106    HA   LYS  13           HA       LYS  13   0.758   2.828   4.828
  107    HB2  LYS  13           1HB      LYS  13  -0.748   1.618   6.271
  108    HB3  LYS  13           2HB      LYS  13   0.539   1.306   7.428
  109    HG2  LYS  13           1HG      LYS  13  -0.127   4.137   6.828
  110    HG3  LYS  13           2HG      LYS  13  -1.262   3.210   7.802
  111    HD2  LYS  13           1HD      LYS  13   0.681   2.580   9.276
  112    HD3  LYS  13           2HD      LYS  13   1.648   3.747   8.370
  113    HE2  LYS  13           1HE      LYS  13   0.866   4.830  10.356
  114    HE3  LYS  13           2HE      LYS  13  -0.029   5.498   8.987
  115    HZ1  LYS  13           3HZ      LYS  13  -1.480   5.017  10.863
  116    HZ2  LYS  13           1HZ      LYS  13  -1.022   3.384  10.827
  117    HZ3  LYS  13           2HZ      LYS  13  -1.887   4.053   9.529
  118    H    GLU  14           H        GLU  14   3.029   1.331   7.089
  119    HA   GLU  14           HA       GLU  14   4.114   3.750   8.074
  120    HB2  GLU  14           1HB      GLU  14   5.456   1.046   7.906
  121    HB3  GLU  14           2HB      GLU  14   5.908   2.374   8.967
  122    HG2  GLU  14           1HG      GLU  14   3.683   2.188  10.049
  123    HG3  GLU  14           2HG      GLU  14   3.373   0.759   9.063
  124    H    PHE  15           H        PHE  15   4.856   1.770   5.284
  125    HA   PHE  15           HA       PHE  15   7.360   2.976   4.713
  126    HB2  PHE  15           1HB      PHE  15   6.459   0.724   3.906
  127    HB3  PHE  15           2HB      PHE  15   5.555   1.638   2.713
  128    HD1  PHE  15           HD1      PHE  15   8.975   2.498   3.832
  129    HD2  PHE  15           HD2      PHE  15   6.607   0.718   0.761
  130    HE1  PHE  15           HE1      PHE  15  10.929   2.451   2.351
  131    HE2  PHE  15           HE2      PHE  15   8.563   0.670  -0.711
  132    HZ   PHE  15           HZ       PHE  15  10.727   1.540   0.074
  133    H    VAL  16           H        VAL  16   4.054   3.668   3.812
  134    HA   VAL  16           HA       VAL  16   4.858   5.797   2.014
  135    HB   VAL  16           HB       VAL  16   2.100   5.063   3.022
  136   HG11  VAL  16          1HG1      VAL  16   2.238   7.395   2.308
  137   HG12  VAL  16          2HG1      VAL  16   1.261   6.439   1.193
  138   HG13  VAL  16          3HG1      VAL  16   2.913   6.885   0.761
  139   HG21  VAL  16          3HG2      VAL  16   3.446   4.435   0.393
  140   HG22  VAL  16          1HG2      VAL  16   1.785   4.034   0.831
  141   HG23  VAL  16          2HG2      VAL  16   3.130   3.283   1.690
  142    H    LYS  17           H        LYS  17   3.147   5.577   5.138
  143    HA   LYS  17           HA       LYS  17   2.920   8.403   5.437
  144    HB2  LYS  17           1HB      LYS  17   2.450   6.099   7.314
  145    HB3  LYS  17           2HB      LYS  17   2.265   7.767   7.826
  146    HG2  LYS  17           1HG      LYS  17   0.684   6.369   5.670
  147    HG3  LYS  17           2HG      LYS  17   0.128   6.802   7.287
  148    HD2  LYS  17           1HD      LYS  17   0.629   9.204   6.706
  149    HD3  LYS  17           2HD      LYS  17   0.892   8.670   5.047
  150    HE2  LYS  17           1HE      LYS  17  -1.413   7.836   4.956
  151    HE3  LYS  17           2HE      LYS  17  -1.675   8.390   6.611
  152    HZ1  LYS  17           3HZ      LYS  17  -1.141  10.058   4.215
  153    HZ2  LYS  17           1HZ      LYS  17  -1.103  10.663   5.800
  154    HZ3  LYS  17           2HZ      LYS  17  -2.541  10.027   5.174
  155    H    ARG  18           H        ARG  18   4.969   5.975   7.030
  156    HA   ARG  18           HA       ARG  18   6.118   8.062   8.683
  157    HB2  ARG  18           1HB      ARG  18   6.619   5.087   8.613
  158    HB3  ARG  18           2HB      ARG  18   7.302   6.196   9.792
  159    HG2  ARG  18           1HG      ARG  18   5.044   6.743  10.578
  160    HG3  ARG  18           2HG      ARG  18   4.376   5.606   9.403
  161    HD2  ARG  18           1HD      ARG  18   4.568   4.649  11.676
  162    HD3  ARG  18           2HD      ARG  18   5.500   3.767  10.465
  163    HE   ARG  18           HE       ARG  18   6.739   5.734  12.285
  164   HH11  ARG  18          1HH1      ARG  18   6.636   2.543  10.848
  165   HH12  ARG  18          2HH1      ARG  18   8.227   2.101  11.378
  166   HH21  ARG  18          1HH2      ARG  18   8.820   5.154  13.024
  167   HH22  ARG  18          2HH2      ARG  18   9.465   3.577  12.645
  168    H    HIS  19           H        HIS  19   6.786   6.768   5.678
  169    HA   HIS  19           HA       HIS  19   9.627   7.439   5.937
  170    HB2  HIS  19           1HB      HIS  19   8.211   5.689   3.923
  171    HB3  HIS  19           2HB      HIS  19   9.872   6.227   3.718
  172    HD1  HIS  19           HD1      HIS  19   7.833   4.258   6.291
  173    HD2  HIS  19           HD2      HIS  19  11.682   4.566   4.761
  174    HE1  HIS  19           HE1      HIS  19   9.182   2.423   7.386
  175    H    GLN  20           H        GLN  20  10.251   7.955   3.323
  176    HA   GLN  20           HA       GLN  20   9.263  10.662   3.104
  177    HB2  GLN  20           1HB      GLN  20  11.243   9.134   1.405
  178    HB3  GLN  20           2HB      GLN  20  10.948  10.864   1.321
  179    HG2  GLN  20           1HG      GLN  20  11.830  11.178   3.522
  180    HG3  GLN  20           2HG      GLN  20  11.971   9.435   3.763
  181   HE21  GLN  20          1HE2      GLN  20  14.039  11.490   3.878
  182   HE22  GLN  20          2HE2      GLN  20  15.220  11.050   2.688
  183    H    ARG  21           H        ARG  21   7.435   8.381   2.452
  184    HA   ARG  21           HA       ARG  21   5.964   7.646   0.899
  185    HB2  ARG  21           1HB      ARG  21   6.652  10.295  -0.383
  186    HB3  ARG  21           2HB      ARG  21   5.446   9.206  -1.047
  187    HG2  ARG  21           1HG      ARG  21   4.232   9.341   1.132
  188    HG3  ARG  21           2HG      ARG  21   5.384  10.583   1.627
  189    HD2  ARG  21           1HD      ARG  21   4.704  11.983  -0.244
  190    HD3  ARG  21           2HD      ARG  21   3.593  10.731  -0.795
  191    HE   ARG  21           HE       ARG  21   3.019  11.454   1.887
  192   HH11  ARG  21          1HH1      ARG  21   2.637  12.571  -1.423
  193   HH12  ARG  21          2HH1      ARG  21   1.263  13.566  -1.054
  194   HH21  ARG  21          1HH2      ARG  21   1.232  12.782   2.368
  195   HH22  ARG  21          2HH2      ARG  21   0.463  13.688   1.100
  196    H    ILE  22           H        ILE  22   5.863   7.328  -1.745
  197    HA   ILE  22           HA       ILE  22   8.468   6.701  -2.803
  198    HB   ILE  22           HB       ILE  22   8.201   4.837  -1.288
  199   HG12  ILE  22          1HG1      ILE  22   7.640   3.959  -4.128
  200   HG13  ILE  22          2HG1      ILE  22   9.225   4.372  -3.479
  201   HG21  ILE  22          1HG2      ILE  22   5.798   4.900  -1.014
  202   HG22  ILE  22          2HG2      ILE  22   6.325   3.276  -1.455
  203   HG23  ILE  22          3HG2      ILE  22   5.572   4.319  -2.663
  204   HD11  ILE  22          3HD1      ILE  22   8.907   1.968  -3.591
  205   HD12  ILE  22          1HD1      ILE  22   7.483   2.103  -2.558
  206   HD13  ILE  22          2HD1      ILE  22   9.076   2.512  -1.921
  207    H    THR  23           H        THR  23   8.422   6.158  -4.994
  208    HA   THR  23           HA       THR  23   6.252   7.237  -6.452
  209    HB   THR  23           HB       THR  23   7.768   5.974  -8.328
  210    HG1  THR  23           HG1      THR  23   9.637   5.415  -7.483
  211   HG21  THR  23          3HG2      THR  23   7.216   8.370  -8.247
  212   HG22  THR  23          1HG2      THR  23   8.929   8.113  -8.579
  213   HG23  THR  23          2HG2      THR  23   8.408   8.596  -6.966
  214    H    GLN  24           H        GLN  24   5.128   6.133  -8.220
  215    HA   GLN  24           HA       GLN  24   3.494   4.183  -7.044
  216    HB2  GLN  24           1HB      GLN  24   2.763   5.857  -8.688
  217    HB3  GLN  24           2HB      GLN  24   3.671   5.020  -9.937
  218    HG2  GLN  24           1HG      GLN  24   2.228   3.000  -9.411
  219    HG3  GLN  24           2HG      GLN  24   1.211   4.107  -8.489
  220   HE21  GLN  24          1HE2      GLN  24  -0.558   3.913  -9.818
  221   HE22  GLN  24          2HE2      GLN  24  -0.595   4.543 -11.432
  222    H    GLU  25           H        GLU  25   5.895   3.845  -9.668
  223    HA   GLU  25           HA       GLU  25   5.228   1.188 -10.320
  224    HB2  GLU  25           1HB      GLU  25   6.545   2.684 -11.787
  225    HB3  GLU  25           2HB      GLU  25   7.890   2.574 -10.659
  226    HG2  GLU  25           1HG      GLU  25   8.007   0.157 -11.060
  227    HG3  GLU  25           2HG      GLU  25   6.692   0.304 -12.227
  228    H    GLU  26           H        GLU  26   7.846   2.486  -8.303
  229    HA   GLU  26           HA       GLU  26   8.820  -0.014  -7.426
  230    HB2  GLU  26           1HB      GLU  26   9.007   2.745  -6.210
  231    HB3  GLU  26           2HB      GLU  26   9.875   1.347  -5.590
  232    HG2  GLU  26           1HG      GLU  26  11.275   1.232  -7.415
  233    HG3  GLU  26           2HG      GLU  26  10.149   2.096  -8.463
  234    H    LEU  27           H        LEU  27   6.264   2.085  -6.271
  235    HA   LEU  27           HA       LEU  27   5.716   0.827  -3.823
  236    HB2  LEU  27           1HB      LEU  27   4.764   3.000  -4.723
  237    HB3  LEU  27           2HB      LEU  27   3.695   2.037  -5.715
  238    HG   LEU  27           HG       LEU  27   2.668   2.984  -3.632
  239   HD11  LEU  27          1HD1      LEU  27   1.647   1.099  -4.776
  240   HD12  LEU  27          2HD1      LEU  27   1.445   0.969  -3.030
  241   HD13  LEU  27          3HD1      LEU  27   2.650  -0.019  -3.858
  242   HD21  LEU  27          3HD2      LEU  27   3.143   1.877  -1.507
  243   HD22  LEU  27          1HD2      LEU  27   4.572   2.693  -2.142
  244   HD23  LEU  27          2HD2      LEU  27   4.423   0.941  -2.281
  245    H    HIS  28           H        HIS  28   4.423   0.257  -7.082
  246    HA   HIS  28           HA       HIS  28   2.701  -1.853  -6.332
  247    HB2  HIS  28           1HB      HIS  28   2.787  -0.396  -8.506
  248    HB3  HIS  28           2HB      HIS  28   3.880  -1.650  -9.082
  249    HD1  HIS  28           HD1      HIS  28   2.446  -4.171  -8.007
  250    HD2  HIS  28           HD2      HIS  28   0.511  -0.957  -9.800
  251    HE1  HIS  28           HE1      HIS  28   0.228  -5.047  -8.825
  252    H    GLN  29           H        GLN  29   6.014  -1.772  -7.540
  253    HA   GLN  29           HA       GLN  29   6.432  -4.535  -7.804
  254    HB2  GLN  29           1HB      GLN  29   7.990  -2.861  -8.676
  255    HB3  GLN  29           2HB      GLN  29   8.368  -2.337  -7.042
  256    HG2  GLN  29           1HG      GLN  29  10.144  -3.711  -7.881
  257    HG3  GLN  29           2HG      GLN  29   9.318  -4.549  -6.570
  258   HE21  GLN  29          1HE2      GLN  29  10.035  -6.547  -7.244
  259   HE22  GLN  29          2HE2      GLN  29   9.412  -7.330  -8.664
  260    H    TYR  30           H        TYR  30   6.722  -2.355  -5.065
  261    HA   TYR  30           HA       TYR  30   7.858  -4.188  -3.234
  262    HB2  TYR  30           1HB      TYR  30   7.728  -1.606  -3.146
  263    HB3  TYR  30           2HB      TYR  30   6.118  -1.844  -2.483
  264    HD1  TYR  30           HD1      TYR  30   9.679  -2.755  -1.910
  265    HD2  TYR  30           HD2      TYR  30   5.845  -2.116  -0.186
  266    HE1  TYR  30           HE1      TYR  30  10.668  -2.928   0.332
  267    HE2  TYR  30           HE2      TYR  30   6.820  -2.297   2.066
  268    HH   TYR  30           HH       TYR  30  10.191  -2.225   2.605
  269    H    ALA  31           H        ALA  31   4.629  -3.590  -4.332
  270    HA   ALA  31           HA       ALA  31   3.196  -4.658  -2.138
  271    HB1  ALA  31           3HB      ALA  31   2.379  -4.456  -5.037
  272    HB2  ALA  31           1HB      ALA  31   2.179  -3.194  -3.823
  273    HB3  ALA  31           2HB      ALA  31   1.297  -4.714  -3.669
  274    H    GLN  32           H        GLN  32   3.973  -6.082  -5.326
  275    HA   GLN  32           HA       GLN  32   3.008  -8.657  -4.623
  276    HB2  GLN  32           1HB      GLN  32   4.541  -7.523  -6.890
  277    HB3  GLN  32           2HB      GLN  32   4.650  -9.258  -6.632
  278    HG2  GLN  32           1HG      GLN  32   2.916  -8.837  -8.209
  279    HG3  GLN  32           2HG      GLN  32   2.181  -9.381  -6.704
  280   HE21  GLN  32          1HE2      GLN  32   0.207  -8.477  -7.165
  281   HE22  GLN  32          2HE2      GLN  32  -0.055  -6.763  -7.157
  282    H    ARG  33           H        ARG  33   5.982  -7.033  -4.073
  283    HA   ARG  33           HA       ARG  33   7.650  -9.279  -3.684
  284    HB2  ARG  33           1HB      ARG  33   8.576  -7.057  -4.029
  285    HB3  ARG  33           2HB      ARG  33   7.809  -6.474  -2.562
  286    HG2  ARG  33           1HG      ARG  33  10.148  -6.802  -2.160
  287    HG3  ARG  33           2HG      ARG  33   9.234  -8.000  -1.246
  288    HD2  ARG  33           1HD      ARG  33  10.386  -8.608  -3.952
  289    HD3  ARG  33           2HD      ARG  33  11.336  -8.784  -2.479
  290    HE   ARG  33           HE       ARG  33   8.908 -10.159  -2.162
  291   HH11  ARG  33          1HH1      ARG  33  11.908 -10.382  -3.949
  292   HH12  ARG  33          2HH1      ARG  33  11.819 -12.108  -4.132
  293   HH21  ARG  33          1HH2      ARG  33   8.806 -12.432  -2.357
  294   HH22  ARG  33          2HH2      ARG  33  10.077 -13.277  -3.197
  295    H    LEU  34           H        LEU  34   5.503  -7.483  -1.509
  296    HA   LEU  34           HA       LEU  34   6.390  -9.178   0.688
  297    HB2  LEU  34           1HB      LEU  34   4.822  -6.623   0.634
  298    HB3  LEU  34           2HB      LEU  34   5.063  -7.571   2.082
  299    HG   LEU  34           HG       LEU  34   7.169  -6.161   0.455
  300   HD11  LEU  34          1HD1      LEU  34   7.583  -4.986   2.570
  301   HD12  LEU  34          2HD1      LEU  34   6.239  -5.861   3.306
  302   HD13  LEU  34          3HD1      LEU  34   5.942  -4.739   1.979
  303   HD21  LEU  34          3HD2      LEU  34   7.529  -8.027   2.798
  304   HD22  LEU  34          1HD2      LEU  34   8.795  -7.038   2.068
  305   HD23  LEU  34          2HD2      LEU  34   8.038  -8.331   1.137
  306    H    GLY  35           H        GLY  35   3.563  -8.613  -1.300
  307    HA2  GLY  35           1HA      GLY  35   2.123 -10.659  -1.373
  308    HA3  GLY  35           2HA      GLY  35   2.153 -10.605   0.382
  309    H    LEU  36           H        LEU  36   1.721  -7.829  -1.792
  310    HA   LEU  36           HA       LEU  36  -0.948  -7.425  -0.681
  311    HB2  LEU  36           1HB      LEU  36   0.714  -5.790  -2.596
  312    HB3  LEU  36           2HB      LEU  36  -0.955  -5.412  -2.223
  313    HG   LEU  36           HG       LEU  36   1.370  -5.362  -0.300
  314   HD11  LEU  36          1HD1      LEU  36  -0.427  -3.193  -1.363
  315   HD12  LEU  36          2HD1      LEU  36   1.266  -3.448  -1.788
  316   HD13  LEU  36          3HD1      LEU  36   0.828  -2.984  -0.144
  317   HD21  LEU  36          3HD2      LEU  36  -0.639  -6.226   0.803
  318   HD22  LEU  36          1HD2      LEU  36  -1.556  -4.838   0.217
  319   HD23  LEU  36          2HD2      LEU  36  -0.241  -4.603   1.371
  320    H    ASN  37           H        ASN  37  -2.743  -6.989  -2.161
  321    HA   ASN  37           HA       ASN  37  -2.411  -8.131  -4.837
  322    HB2  ASN  37           1HB      ASN  37  -4.839  -8.808  -4.747
  323    HB3  ASN  37           2HB      ASN  37  -3.761  -9.751  -3.732
  324   HD21  ASN  37          1HD2      ASN  37  -4.890  -6.534  -2.857
  325   HD22  ASN  37          2HD2      ASN  37  -5.912  -7.058  -1.562
  326    H    GLU  38           H        GLU  38  -4.251  -7.269  -6.298
  327    HA   GLU  38           HA       GLU  38  -3.504  -4.593  -6.571
  328    HB2  GLU  38           1HB      GLU  38  -5.684  -6.138  -7.961
  329    HB3  GLU  38           2HB      GLU  38  -5.098  -4.558  -8.467
  330    HG2  GLU  38           1HG      GLU  38  -2.882  -5.471  -8.838
  331    HG3  GLU  38           2HG      GLU  38  -3.414  -7.050  -8.273
  332    H    GLU  39           H        GLU  39  -6.466  -5.992  -5.265
  333    HA   GLU  39           HA       GLU  39  -8.018  -3.688  -5.047
  334    HB2  GLU  39           1HB      GLU  39  -8.871  -5.909  -4.506
  335    HB3  GLU  39           2HB      GLU  39  -7.792  -5.998  -3.116
  336    HG2  GLU  39           1HG      GLU  39  -8.971  -4.190  -2.036
  337    HG3  GLU  39           2HG      GLU  39  -9.988  -3.966  -3.457
  338    H    ALA  40           H        ALA  40  -5.763  -5.049  -2.687
  339    HA   ALA  40           HA       ALA  40  -5.989  -3.054  -0.735
  340    HB1  ALA  40           3HB      ALA  40  -5.010  -5.251  -0.285
  341    HB2  ALA  40           1HB      ALA  40  -3.907  -3.956   0.178
  342    HB3  ALA  40           2HB      ALA  40  -3.634  -4.852  -1.316
  343    H    ILE  41           H        ILE  41  -4.082  -3.247  -3.641
  344    HA   ILE  41           HA       ILE  41  -2.245  -1.171  -2.945
  345    HB   ILE  41           HB       ILE  41  -2.909  -2.084  -5.747
  346   HG12  ILE  41          1HG1      ILE  41  -0.921  -3.301  -3.808
  347   HG13  ILE  41          2HG1      ILE  41  -2.442  -4.048  -4.296
  348   HG21  ILE  41          1HG2      ILE  41  -1.522  -0.085  -5.548
  349   HG22  ILE  41          2HG2      ILE  41  -0.595  -1.436  -6.198
  350   HG23  ILE  41          3HG2      ILE  41  -0.395  -0.961  -4.511
  351   HD11  ILE  41          3HD1      ILE  41  -0.521  -4.989  -5.470
  352   HD12  ILE  41          1HD1      ILE  41  -0.146  -3.400  -6.134
  353   HD13  ILE  41          2HD1      ILE  41  -1.648  -4.209  -6.580
  354    H    ARG  42           H        ARG  42  -5.254  -1.374  -4.770
  355    HA   ARG  42           HA       ARG  42  -5.329   1.320  -5.628
  356    HB2  ARG  42           1HB      ARG  42  -6.727  -0.383  -6.663
  357    HB3  ARG  42           2HB      ARG  42  -7.575  -0.652  -5.147
  358    HG2  ARG  42           1HG      ARG  42  -8.402   1.676  -5.262
  359    HG3  ARG  42           2HG      ARG  42  -7.627   1.823  -6.841
  360    HD2  ARG  42           1HD      ARG  42  -9.024   0.104  -7.756
  361    HD3  ARG  42           2HD      ARG  42  -9.695  -0.260  -6.167
  362    HE   ARG  42           HE       ARG  42 -10.202   2.431  -6.702
  363   HH11  ARG  42          1HH1      ARG  42 -11.114  -0.698  -7.979
  364   HH12  ARG  42          2HH1      ARG  42 -12.678  -0.164  -8.498
  365   HH21  ARG  42          1HH2      ARG  42 -12.255   3.123  -7.346
  366   HH22  ARG  42          2HH2      ARG  42 -13.326   2.011  -8.164
  367    H    GLN  43           H        GLN  43  -6.273  -0.301  -2.675
  368    HA   GLN  43           HA       GLN  43  -7.848   1.718  -1.520
  369    HB2  GLN  43           1HB      GLN  43  -6.077  -0.337  -0.185
  370    HB3  GLN  43           2HB      GLN  43  -7.246   0.663   0.661
  371    HG2  GLN  43           1HG      GLN  43  -9.037  -0.351  -0.715
  372    HG3  GLN  43           2HG      GLN  43  -7.829  -1.421  -1.429
  373   HE21  GLN  43          1HE2      GLN  43  -9.630  -0.630   1.423
  374   HE22  GLN  43          2HE2      GLN  43  -9.263  -2.064   2.314
  375    H    PHE  44           H        PHE  44  -4.344   1.201  -1.496
  376    HA   PHE  44           HA       PHE  44  -3.798   3.163   0.473
  377    HB2  PHE  44           1HB      PHE  44  -2.206   1.534  -1.441
  378    HB3  PHE  44           2HB      PHE  44  -1.438   2.902  -0.657
  379    HD1  PHE  44           HD1      PHE  44  -1.343   2.987   1.845
  380    HD2  PHE  44           HD2      PHE  44  -2.560  -0.492  -0.281
  381    HE1  PHE  44           HE1      PHE  44  -0.942   1.622   3.855
  382    HE2  PHE  44           HE2      PHE  44  -2.163  -1.861   1.723
  383    HZ   PHE  44           HZ       PHE  44  -1.356  -0.802   3.797
  384    H    PHE  45           H        PHE  45  -4.189   3.314  -2.990
  385    HA   PHE  45           HA       PHE  45  -3.175   6.051  -3.017
  386    HB2  PHE  45           1HB      PHE  45  -4.202   4.273  -5.234
  387    HB3  PHE  45           2HB      PHE  45  -3.735   5.952  -5.480
  388    HD1  PHE  45           HD1      PHE  45  -1.314   6.509  -4.479
  389    HD2  PHE  45           HD2      PHE  45  -2.651   2.674  -5.746
  390    HE1  PHE  45           HE1      PHE  45   1.020   5.823  -4.845
  391    HE2  PHE  45           HE2      PHE  45  -0.320   1.981  -6.113
  392    HZ   PHE  45           HZ       PHE  45   1.521   3.552  -5.659
  393    H    GLU  46           H        GLU  46  -6.160   4.425  -4.044
  394    HA   GLU  46           HA       GLU  46  -7.485   6.940  -4.432
  395    HB2  GLU  46           1HB      GLU  46  -8.034   5.289  -5.999
  396    HB3  GLU  46           2HB      GLU  46  -8.253   4.061  -4.763
  397    HG2  GLU  46           1HG      GLU  46 -10.280   5.129  -4.012
  398    HG3  GLU  46           2HG      GLU  46 -10.064   6.420  -5.205
  399    H    GLU  47           H        GLU  47  -8.536   4.101  -2.561
  400    HA   GLU  47           HA       GLU  47 -10.445   5.668  -1.116
  401    HB2  GLU  47           1HB      GLU  47  -9.740   2.845  -1.395
  402    HB3  GLU  47           2HB      GLU  47 -10.549   3.304   0.106
  403    HG2  GLU  47           1HG      GLU  47 -11.523   3.788  -2.699
  404    HG3  GLU  47           2HG      GLU  47 -12.149   2.634  -1.545
  405    H    PHE  48           H        PHE  48  -7.491   6.062  -0.766
  406    HA   PHE  48           HA       PHE  48  -7.007   5.447   2.029
  407    HB2  PHE  48           1HB      PHE  48  -5.317   5.265   0.121
  408    HB3  PHE  48           2HB      PHE  48  -5.275   7.020   0.125
  409    HD1  PHE  48           HD1      PHE  48  -4.973   4.200   2.550
  410    HD2  PHE  48           HD2      PHE  48  -3.582   8.011   1.269
  411    HE1  PHE  48           HE1      PHE  48  -3.211   4.125   4.262
  412    HE2  PHE  48           HE2      PHE  48  -1.810   7.936   2.970
  413    HZ   PHE  48           HZ       PHE  48  -1.623   5.995   4.471
  414    H    GLU  49           H        GLU  49  -7.268   8.249  -0.100
  415    HA   GLU  49           HA       GLU  49  -8.569   9.891   1.778
  416    HB2  GLU  49           1HB      GLU  49  -6.807  11.567   2.190
  417    HB3  GLU  49           2HB      GLU  49  -6.412  10.006   2.897
  418    HG2  GLU  49           1HG      GLU  49  -4.835   9.541   1.174
  419    HG3  GLU  49           2HG      GLU  49  -5.344  10.955   0.252
  420    H    GLN  50           H        GLN  50  -6.709   9.548  -1.149
  421    HA   GLN  50           HA       GLN  50  -7.623  12.089  -2.230
  422    HB2  GLN  50           1HB      GLN  50  -5.840   9.958  -3.436
  423    HB3  GLN  50           2HB      GLN  50  -6.103  11.572  -4.086
  424    HG2  GLN  50           1HG      GLN  50  -5.008  12.580  -2.223
  425    HG3  GLN  50           2HG      GLN  50  -4.920  11.038  -1.374
  426   HE21  GLN  50          1HE2      GLN  50  -4.204   9.585  -3.820
  427   HE22  GLN  50          2HE2      GLN  50  -2.545   9.969  -4.133
  428    H    ARG  51           H        ARG  51  -9.598  10.256  -1.677
  429    HA   ARG  51           HA       ARG  51 -10.329   8.875  -4.111
  430    HB2  ARG  51           1HB      ARG  51 -12.336   8.152  -2.674
  431    HB3  ARG  51           2HB      ARG  51 -10.756   7.520  -2.265
  432    HG2  ARG  51           1HG      ARG  51 -10.537   9.195  -0.544
  433    HG3  ARG  51           2HG      ARG  51 -12.159   9.788  -0.909
  434    HD2  ARG  51           1HD      ARG  51 -13.099   7.666  -0.336
  435    HD3  ARG  51           2HD      ARG  51 -11.500   6.967  -0.133
  436    HE   ARG  51           HE       ARG  51 -11.793   9.181   1.593
  437   HH11  ARG  51          1HH1      ARG  51 -12.915   5.882   1.192
  438   HH12  ARG  51          2HH1      ARG  51 -13.124   5.618   2.902
  439   HH21  ARG  51          1HH2      ARG  51 -12.053   8.814   3.839
  440   HH22  ARG  51          2HH2      ARG  51 -12.628   7.269   4.398
  441    H    LYS  52           H        LYS  52 -12.333   9.150  -5.144
  442    HA   LYS  52           HA       LYS  52 -13.730  10.471  -6.341
  443    HB2  LYS  52           1HB      LYS  52 -15.637  11.322  -4.983
  444    HB3  LYS  52           2HB      LYS  52 -15.223   9.646  -4.675
  445    HG2  LYS  52           1HG      LYS  52 -13.976  10.429  -2.641
  446    HG3  LYS  52           2HG      LYS  52 -14.659  12.029  -2.927
  447    HD2  LYS  52           1HD      LYS  52 -16.013  10.874  -1.306
  448    HD3  LYS  52           2HD      LYS  52 -16.928  11.023  -2.809
  449    HE2  LYS  52           1HE      LYS  52 -16.235   8.717  -3.396
  450    HE3  LYS  52           2HE      LYS  52 -15.449   8.590  -1.824
  451    HZ1  LYS  52           3HZ      LYS  52 -17.612   8.966  -0.777
  452    HZ2  LYS  52           1HZ      LYS  52 -17.616   7.585  -1.756
  453    HZ3  LYS  52           2HZ      LYS  52 -18.350   9.011  -2.302
  Start of MODEL   34
    1    H1   MET   1           1H       MET   1 -14.021  -7.505   4.998
    2    H2   MET   1           2H       MET   1 -12.763  -6.743   4.157
    3    H3   MET   1           3H       MET   1 -12.586  -7.091   5.803
    4    HA   MET   1           HA       MET   1 -12.582  -9.425   5.390
    5    HB2  MET   1           1HB      MET   1 -14.167  -9.302   3.469
    6    HB3  MET   1           2HB      MET   1 -12.878  -8.641   2.476
    7    HG2  MET   1           1HG      MET   1 -11.618 -10.700   2.701
    8    HG3  MET   1           2HG      MET   1 -12.866 -11.364   3.756
    9    HE1  MET   1           3HE      MET   1 -15.909 -11.688   1.313
   10    HE2  MET   1           1HE      MET   1 -15.530 -10.306   2.342
   11    HE3  MET   1           2HE      MET   1 -15.322 -11.947   2.956
   12    H    LYS   2           H        LYS   2 -10.597 -10.572   4.588
   13    HA   LYS   2           HA       LYS   2  -8.398  -8.649   4.507
   14    HB2  LYS   2           1HB      LYS   2  -8.513 -10.546   6.182
   15    HB3  LYS   2           2HB      LYS   2  -8.207 -11.640   4.841
   16    HG2  LYS   2           1HG      LYS   2  -6.063 -10.622   4.439
   17    HG3  LYS   2           2HG      LYS   2  -6.381  -9.390   5.662
   18    HD2  LYS   2           1HD      LYS   2  -6.068 -12.357   6.121
   19    HD3  LYS   2           2HD      LYS   2  -4.932 -11.088   6.585
   20    HE2  LYS   2           1HE      LYS   2  -6.605 -10.142   8.098
   21    HE3  LYS   2           2HE      LYS   2  -7.748 -11.400   7.629
   22    HZ1  LYS   2           3HZ      LYS   2  -6.828 -12.140   9.619
   23    HZ2  LYS   2           1HZ      LYS   2  -5.250 -11.673   9.196
   24    HZ3  LYS   2           2HZ      LYS   2  -5.979 -13.012   8.442
   25    H    GLN   3           H        GLN   3  -7.868  -8.020   2.546
   26    HA   GLN   3           HA       GLN   3  -7.835  -9.967   0.338
   27    HB2  GLN   3           1HB      GLN   3  -7.924  -6.955   0.337
   28    HB3  GLN   3           2HB      GLN   3  -7.441  -7.855  -1.087
   29    HG2  GLN   3           1HG      GLN   3  -9.666  -7.467  -1.472
   30    HG3  GLN   3           2HG      GLN   3  -9.688  -9.087  -0.781
   31   HE21  GLN   3          1HE2      GLN   3 -11.831  -8.844  -0.152
   32   HE22  GLN   3          2HE2      GLN   3 -12.285  -7.840   1.189
   33    H    TRP   4           H        TRP   4  -5.943  -7.281   1.634
   34    HA   TRP   4           HA       TRP   4  -3.491  -8.253   0.510
   35    HB2  TRP   4           1HB      TRP   4  -2.691  -6.518   2.435
   36    HB3  TRP   4           2HB      TRP   4  -3.168  -6.029   0.819
   37    HD1  TRP   4           HD1      TRP   4  -4.868  -4.129   0.782
   38    HE1  TRP   4           HE1      TRP   4  -6.651  -3.193   2.383
   39    HE3  TRP   4           HE3      TRP   4  -4.402  -7.508   4.584
   40    HZ2  TRP   4           HZ2      TRP   4  -7.705  -3.794   4.920
   41    HZ3  TRP   4           HZ3      TRP   4  -5.834  -7.254   6.566
   42    HH2  TRP   4           HH2      TRP   4  -7.452  -5.434   6.731
   43    H    SER   5           H        SER   5  -1.611  -8.553   2.083
   44    HA   SER   5           HA       SER   5  -2.332 -10.435   4.122
   45    HB2  SER   5           1HB      SER   5  -0.169 -10.641   2.927
   46    HB3  SER   5           2HB      SER   5   0.344  -9.102   3.620
   47    HG   SER   5           HG       SER   5  -0.560 -11.052   5.400
   48    H    GLU   6           H        GLU   6  -3.082  -9.888   5.987
   49    HA   GLU   6           HA       GLU   6  -3.823  -7.562   7.004
   50    HB2  GLU   6           1HB      GLU   6  -4.194  -9.793   8.000
   51    HB3  GLU   6           2HB      GLU   6  -2.566  -9.750   8.653
   52    HG2  GLU   6           1HG      GLU   6  -3.145  -7.846  10.036
   53    HG3  GLU   6           2HG      GLU   6  -4.771  -7.828   9.348
   54    H    ASN   7           H        ASN   7  -0.501  -8.796   7.488
   55    HA   ASN   7           HA       ASN   7   0.214  -6.580   9.179
   56    HB2  ASN   7           1HB      ASN   7   1.883  -8.737   7.894
   57    HB3  ASN   7           2HB      ASN   7   2.514  -7.544   9.023
   58   HD21  ASN   7          1HD2      ASN   7   1.861  -7.618  11.187
   59   HD22  ASN   7          2HD2      ASN   7   1.188  -9.058  11.878
   60    H    VAL   8           H        VAL   8   0.273  -7.164   5.793
   61    HA   VAL   8           HA       VAL   8   2.407  -5.395   5.150
   62    HB   VAL   8           HB       VAL   8   0.129  -6.345   3.395
   63   HG11  VAL   8          1HG1      VAL   8   2.772  -5.100   2.655
   64   HG12  VAL   8          2HG1      VAL   8   1.195  -4.319   2.539
   65   HG13  VAL   8          3HG1      VAL   8   1.563  -5.717   1.533
   66   HG21  VAL   8          3HG2      VAL   8   2.949  -7.377   3.731
   67   HG22  VAL   8          1HG2      VAL   8   1.777  -7.955   2.547
   68   HG23  VAL   8          2HG2      VAL   8   1.474  -8.180   4.269
   69    H    GLU   9           H        GLU   9  -1.083  -5.033   5.474
   70    HA   GLU   9           HA       GLU   9  -1.600  -2.502   4.645
   71    HB2  GLU   9           1HB      GLU   9  -3.287  -3.862   5.707
   72    HB3  GLU   9           2HB      GLU   9  -2.428  -3.812   7.241
   73    HG2  GLU   9           1HG      GLU   9  -2.786  -1.308   7.205
   74    HG3  GLU   9           2HG      GLU   9  -3.892  -1.583   5.861
   75    H    GLU  10           H        GLU  10  -0.243  -3.326   7.823
   76    HA   GLU  10           HA       GLU  10   0.145  -0.744   8.779
   77    HB2  GLU  10           1HB      GLU  10   0.364  -2.407  10.387
   78    HB3  GLU  10           2HB      GLU  10   1.419  -3.395   9.380
   79    HG2  GLU  10           1HG      GLU  10   3.202  -1.701   9.666
   80    HG3  GLU  10           2HG      GLU  10   2.146  -0.811  10.764
   81    H    LYS  11           H        LYS  11   2.481  -2.864   7.115
   82    HA   LYS  11           HA       LYS  11   4.553  -0.925   7.380
   83    HB2  LYS  11           1HB      LYS  11   4.989  -3.336   7.386
   84    HB3  LYS  11           2HB      LYS  11   4.484  -3.430   5.703
   85    HG2  LYS  11           1HG      LYS  11   6.345  -2.168   4.972
   86    HG3  LYS  11           2HG      LYS  11   6.759  -1.691   6.617
   87    HD2  LYS  11           1HD      LYS  11   6.767  -4.567   5.734
   88    HD3  LYS  11           2HD      LYS  11   8.169  -3.520   5.525
   89    HE2  LYS  11           1HE      LYS  11   8.532  -4.675   7.543
   90    HE3  LYS  11           2HE      LYS  11   8.024  -3.056   8.010
   91    HZ1  LYS  11           3HZ      LYS  11   5.773  -3.953   8.348
   92    HZ2  LYS  11           1HZ      LYS  11   6.916  -4.667   9.369
   93    HZ3  LYS  11           2HZ      LYS  11   6.347  -5.510   8.014
   94    H    LEU  12           H        LEU  12   2.209  -1.644   4.894
   95    HA   LEU  12           HA       LEU  12   3.488  -0.100   2.859
   96    HB2  LEU  12           1HB      LEU  12   0.957  -1.495   3.219
   97    HB3  LEU  12           2HB      LEU  12   0.772   0.005   2.332
   98    HG   LEU  12           HG       LEU  12   1.124  -2.109   0.963
   99   HD11  LEU  12          1HD1      LEU  12   1.355   0.127   0.029
  100   HD12  LEU  12          2HD1      LEU  12   2.536  -0.983  -0.664
  101   HD13  LEU  12          3HD1      LEU  12   3.037   0.177   0.564
  102   HD21  LEU  12          3HD2      LEU  12   3.100  -2.757   2.561
  103   HD22  LEU  12          1HD2      LEU  12   4.043  -1.766   1.449
  104   HD23  LEU  12          2HD2      LEU  12   3.154  -3.163   0.844
  105    H    LYS  13           H        LYS  13   1.104   0.598   5.366
  106    HA   LYS  13           HA       LYS  13   0.675   3.303   4.854
  107    HB2  LYS  13           1HB      LYS  13  -0.619   2.383   6.579
  108    HB3  LYS  13           2HB      LYS  13   0.775   1.659   7.364
  109    HG2  LYS  13           1HG      LYS  13   1.527   4.045   7.848
  110    HG3  LYS  13           2HG      LYS  13  -0.113   4.519   7.397
  111    HD2  LYS  13           1HD      LYS  13  -1.066   3.251   9.147
  112    HD3  LYS  13           2HD      LYS  13   0.453   2.402   9.458
  113    HE2  LYS  13           1HE      LYS  13   0.052   4.085  11.172
  114    HE3  LYS  13           2HE      LYS  13   1.465   4.514  10.204
  115    HZ1  LYS  13           3HZ      LYS  13  -1.245   5.595   9.663
  116    HZ2  LYS  13           1HZ      LYS  13   0.233   6.154   9.055
  117    HZ3  LYS  13           2HZ      LYS  13  -0.147   6.369  10.694
  118    H    GLU  14           H        GLU  14   3.186   1.742   6.781
  119    HA   GLU  14           HA       GLU  14   4.634   4.046   7.447
  120    HB2  GLU  14           1HB      GLU  14   5.579   1.191   7.111
  121    HB3  GLU  14           2HB      GLU  14   6.492   2.470   7.904
  122    HG2  GLU  14           1HG      GLU  14   3.775   1.543   8.812
  123    HG3  GLU  14           2HG      GLU  14   5.299   0.917   9.449
  124    H    PHE  15           H        PHE  15   4.951   1.790   4.735
  125    HA   PHE  15           HA       PHE  15   7.371   2.888   3.782
  126    HB2  PHE  15           1HB      PHE  15   6.614   0.565   3.399
  127    HB3  PHE  15           2HB      PHE  15   5.342   1.173   2.353
  128    HD1  PHE  15           HD1      PHE  15   9.041   1.282   2.744
  129    HD2  PHE  15           HD2      PHE  15   5.728   1.242   0.074
  130    HE1  PHE  15           HE1      PHE  15  10.587   1.134   0.837
  131    HE2  PHE  15           HE2      PHE  15   7.270   1.092  -1.839
  132    HZ   PHE  15           HZ       PHE  15   9.702   1.039  -1.457
  133    H    VAL  16           H        VAL  16   3.987   3.549   3.076
  134    HA   VAL  16           HA       VAL  16   4.665   5.244   0.825
  135    HB   VAL  16           HB       VAL  16   2.014   4.830   2.227
  136   HG11  VAL  16          1HG1      VAL  16   2.630   6.317  -0.328
  137   HG12  VAL  16          2HG1      VAL  16   2.089   7.034   1.190
  138   HG13  VAL  16          3HG1      VAL  16   1.017   5.961   0.288
  139   HG21  VAL  16          3HG2      VAL  16   2.812   2.853   1.071
  140   HG22  VAL  16          1HG2      VAL  16   3.068   3.792  -0.400
  141   HG23  VAL  16          2HG2      VAL  16   1.434   3.550   0.220
  142    H    LYS  17           H        LYS  17   3.395   5.724   4.119
  143    HA   LYS  17           HA       LYS  17   3.356   8.596   3.697
  144    HB2  LYS  17           1HB      LYS  17   2.669   7.071   6.207
  145    HB3  LYS  17           2HB      LYS  17   2.260   8.738   5.837
  146    HG2  LYS  17           1HG      LYS  17   1.220   6.320   4.376
  147    HG3  LYS  17           2HG      LYS  17   0.345   7.230   5.603
  148    HD2  LYS  17           1HD      LYS  17   1.342   8.358   2.985
  149    HD3  LYS  17           2HD      LYS  17  -0.308   7.815   3.284
  150    HE2  LYS  17           1HE      LYS  17  -0.556   9.518   5.024
  151    HE3  LYS  17           2HE      LYS  17   1.103  10.048   4.747
  152    HZ1  LYS  17           3HZ      LYS  17   0.526  10.720   2.537
  153    HZ2  LYS  17           1HZ      LYS  17  -0.566  11.440   3.618
  154    HZ3  LYS  17           2HZ      LYS  17  -1.040  10.096   2.694
  155    H    ARG  18           H        ARG  18   5.041   6.284   5.799
  156    HA   ARG  18           HA       ARG  18   6.483   8.503   7.028
  157    HB2  ARG  18           1HB      ARG  18   6.076   5.628   7.820
  158    HB3  ARG  18           2HB      ARG  18   7.231   6.674   8.641
  159    HG2  ARG  18           1HG      ARG  18   5.434   8.220   9.224
  160    HG3  ARG  18           2HG      ARG  18   4.274   7.196   8.382
  161    HD2  ARG  18           1HD      ARG  18   4.526   5.447   9.963
  162    HD3  ARG  18           2HD      ARG  18   5.949   6.205  10.679
  163    HE   ARG  18           HE       ARG  18   4.073   8.072  11.118
  164   HH11  ARG  18          1HH1      ARG  18   3.947   4.596  11.589
  165   HH12  ARG  18          2HH1      ARG  18   2.951   4.700  13.015
  166   HH21  ARG  18          1HH2      ARG  18   2.726   8.201  12.972
  167   HH22  ARG  18          2HH2      ARG  18   2.254   6.738  13.796
  168    H    HIS  19           H        HIS  19   6.999   6.743   4.383
  169    HA   HIS  19           HA       HIS  19   9.919   6.722   4.799
  170    HB2  HIS  19           1HB      HIS  19   8.151   5.134   2.971
  171    HB3  HIS  19           2HB      HIS  19   9.824   5.430   2.517
  172    HD1  HIS  19           HD1      HIS  19  11.177   3.410   3.046
  173    HD2  HIS  19           HD2      HIS  19   8.256   4.140   5.919
  174    HE1  HIS  19           HE1      HIS  19  11.425   1.600   4.795
  175    H    GLN  20           H        GLN  20   7.994   8.949   4.147
  176    HA   GLN  20           HA       GLN  20   8.057  10.900   3.005
  177    HB2  GLN  20           1HB      GLN  20  10.770   9.806   2.370
  178    HB3  GLN  20           2HB      GLN  20  10.206  11.243   1.535
  179    HG2  GLN  20           1HG      GLN  20  11.377  12.139   3.289
  180    HG3  GLN  20           2HG      GLN  20   9.734  12.146   3.913
  181   HE21  GLN  20          1HE2      GLN  20  12.313  12.167   5.285
  182   HE22  GLN  20          2HE2      GLN  20  12.307  10.803   6.354
  183    H    ARG  21           H        ARG  21   6.886   8.477   1.840
  184    HA   ARG  21           HA       ARG  21   5.679   7.931   0.013
  185    HB2  ARG  21           1HB      ARG  21   6.476  10.716  -0.741
  186    HB3  ARG  21           2HB      ARG  21   5.674   9.692  -1.919
  187    HG2  ARG  21           1HG      ARG  21   4.046  11.069  -0.848
  188    HG3  ARG  21           2HG      ARG  21   3.807   9.405  -0.315
  189    HD2  ARG  21           1HD      ARG  21   3.611  11.023   1.520
  190    HD3  ARG  21           2HD      ARG  21   4.925   9.879   1.776
  191    HE   ARG  21           HE       ARG  21   6.005  12.124   0.526
  192   HH11  ARG  21          1HH1      ARG  21   4.374  11.390   3.535
  193   HH12  ARG  21          2HH1      ARG  21   5.261  12.567   4.456
  194   HH21  ARG  21          1HH2      ARG  21   7.205  13.640   1.735
  195   HH22  ARG  21          2HH2      ARG  21   6.891  13.832   3.435
  196    H    ILE  22           H        ILE  22   5.903   7.664  -2.506
  197    HA   ILE  22           HA       ILE  22   8.528   7.365  -3.539
  198    HB   ILE  22           HB       ILE  22   8.587   5.576  -1.835
  199   HG12  ILE  22          1HG1      ILE  22   8.473   4.384  -4.609
  200   HG13  ILE  22          2HG1      ILE  22   9.811   5.364  -4.022
  201   HG21  ILE  22          1HG2      ILE  22   6.240   5.021  -1.732
  202   HG22  ILE  22          2HG2      ILE  22   7.180   3.578  -2.108
  203   HG23  ILE  22          3HG2      ILE  22   6.285   4.402  -3.384
  204   HD11  ILE  22          3HD1      ILE  22  10.237   3.726  -2.264
  205   HD12  ILE  22          1HD1      ILE  22  10.319   2.999  -3.869
  206   HD13  ILE  22          2HD1      ILE  22   8.895   2.749  -2.858
  207    H    THR  23           H        THR  23   8.516   6.608  -5.708
  208    HA   THR  23           HA       THR  23   6.221   7.142  -7.208
  209    HB   THR  23           HB       THR  23   7.510   5.874  -9.052
  210    HG1  THR  23           HG1      THR  23   9.587   6.073  -7.093
  211   HG21  THR  23          3HG2      THR  23   7.472   8.314  -8.846
  212   HG22  THR  23          1HG2      THR  23   9.073   7.748  -9.326
  213   HG23  THR  23          2HG2      THR  23   8.776   8.240  -7.659
  214    H    GLN  24           H        GLN  24   4.880   5.816  -8.442
  215    HA   GLN  24           HA       GLN  24   3.715   3.714  -7.007
  216    HB2  GLN  24           1HB      GLN  24   2.605   5.223  -8.685
  217    HB3  GLN  24           2HB      GLN  24   3.375   4.284  -9.954
  218    HG2  GLN  24           1HG      GLN  24   2.177   2.303  -9.257
  219    HG3  GLN  24           2HG      GLN  24   1.458   3.185  -7.911
  220   HE21  GLN  24          1HE2      GLN  24   1.454   2.676 -11.340
  221   HE22  GLN  24          2HE2      GLN  24  -0.026   3.519 -11.665
  222    H    GLU  25           H        GLU  25   6.102   3.697  -9.566
  223    HA   GLU  25           HA       GLU  25   6.008   1.029 -10.359
  224    HB2  GLU  25           1HB      GLU  25   7.381   2.762 -11.449
  225    HB3  GLU  25           2HB      GLU  25   8.440   2.793 -10.046
  226    HG2  GLU  25           1HG      GLU  25   8.979   0.408 -10.465
  227    HG3  GLU  25           2HG      GLU  25   8.027   0.498 -11.946
  228    H    GLU  26           H        GLU  26   8.269   2.433  -7.983
  229    HA   GLU  26           HA       GLU  26   9.161  -0.081  -7.034
  230    HB2  GLU  26           1HB      GLU  26   9.439   2.744  -6.064
  231    HB3  GLU  26           2HB      GLU  26  10.009   1.405  -5.078
  232    HG2  GLU  26           1HG      GLU  26  10.861   1.661  -7.931
  233    HG3  GLU  26           2HG      GLU  26  11.651   2.602  -6.667
  234    H    LEU  27           H        LEU  27   6.509   1.983  -6.208
  235    HA   LEU  27           HA       LEU  27   5.866   0.873  -3.699
  236    HB2  LEU  27           1HB      LEU  27   4.964   2.999  -4.790
  237    HB3  LEU  27           2HB      LEU  27   3.909   1.956  -5.724
  238    HG   LEU  27           HG       LEU  27   2.857   3.037  -3.708
  239   HD11  LEU  27          1HD1      LEU  27   1.644   1.041  -3.009
  240   HD12  LEU  27          2HD1      LEU  27   2.869   0.023  -3.769
  241   HD13  LEU  27          3HD1      LEU  27   1.863   1.079  -4.759
  242   HD21  LEU  27          3HD2      LEU  27   4.787   2.811  -2.205
  243   HD22  LEU  27          1HD2      LEU  27   4.579   1.060  -2.218
  244   HD23  LEU  27          2HD2      LEU  27   3.328   2.092  -1.521
  245    H    HIS  28           H        HIS  28   4.684   0.136  -6.991
  246    HA   HIS  28           HA       HIS  28   3.099  -2.070  -6.200
  247    HB2  HIS  28           1HB      HIS  28   2.914  -0.818  -8.400
  248    HB3  HIS  28           2HB      HIS  28   4.349  -1.692  -8.931
  249    HD1  HIS  28           HD1      HIS  28   4.004  -4.470  -8.704
  250    HD2  HIS  28           HD2      HIS  28   0.626  -2.070  -9.017
  251    HE1  HIS  28           HE1      HIS  28   2.096  -6.008  -9.280
  252    H    GLN  29           H        GLN  29   6.429  -1.758  -7.296
  253    HA   GLN  29           HA       GLN  29   7.180  -4.424  -7.453
  254    HB2  GLN  29           1HB      GLN  29   8.689  -2.656  -8.112
  255    HB3  GLN  29           2HB      GLN  29   8.720  -2.011  -6.479
  256    HG2  GLN  29           1HG      GLN  29  10.763  -3.155  -6.850
  257    HG3  GLN  29           2HG      GLN  29   9.802  -4.116  -5.729
  258   HE21  GLN  29          1HE2      GLN  29   8.952  -6.085  -6.411
  259   HE22  GLN  29          2HE2      GLN  29   9.520  -6.890  -7.842
  260    H    TYR  30           H        TYR  30   6.919  -2.303  -4.658
  261    HA   TYR  30           HA       TYR  30   7.873  -4.242  -2.778
  262    HB2  TYR  30           1HB      TYR  30   8.004  -1.697  -2.595
  263    HB3  TYR  30           2HB      TYR  30   6.298  -1.739  -2.171
  264    HD1  TYR  30           HD1      TYR  30   9.573  -3.196  -1.141
  265    HD2  TYR  30           HD2      TYR  30   5.699  -1.918   0.060
  266    HE1  TYR  30           HE1      TYR  30  10.189  -3.569   1.210
  267    HE2  TYR  30           HE2      TYR  30   6.303  -2.281   2.415
  268    HH   TYR  30           HH       TYR  30   9.449  -2.670   3.469
  269    H    ALA  31           H        ALA  31   4.790  -3.342  -4.124
  270    HA   ALA  31           HA       ALA  31   3.134  -4.386  -2.063
  271    HB1  ALA  31           3HB      ALA  31   1.331  -4.224  -3.714
  272    HB2  ALA  31           1HB      ALA  31   2.518  -3.943  -4.987
  273    HB3  ALA  31           2HB      ALA  31   2.311  -2.758  -3.697
  274    H    GLN  32           H        GLN  32   4.096  -5.638  -5.236
  275    HA   GLN  32           HA       GLN  32   2.936  -8.205  -4.850
  276    HB2  GLN  32           1HB      GLN  32   3.356  -7.294  -7.066
  277    HB3  GLN  32           2HB      GLN  32   5.082  -7.241  -6.750
  278    HG2  GLN  32           1HG      GLN  32   5.190  -9.643  -6.693
  279    HG3  GLN  32           2HG      GLN  32   3.436  -9.755  -6.853
  280   HE21  GLN  32          1HE2      GLN  32   3.269  -7.588  -8.765
  281   HE22  GLN  32          2HE2      GLN  32   3.867  -8.207 -10.265
  282    H    ARG  33           H        ARG  33   5.859  -6.741  -3.814
  283    HA   ARG  33           HA       ARG  33   7.397  -9.103  -3.473
  284    HB2  ARG  33           1HB      ARG  33   8.498  -6.954  -3.624
  285    HB3  ARG  33           2HB      ARG  33   7.628  -6.363  -2.218
  286    HG2  ARG  33           1HG      ARG  33   9.860  -6.853  -1.557
  287    HG3  ARG  33           2HG      ARG  33   8.806  -8.076  -0.849
  288    HD2  ARG  33           1HD      ARG  33  10.864  -9.055  -1.740
  289    HD3  ARG  33           2HD      ARG  33   9.448  -9.657  -2.590
  290    HE   ARG  33           HE       ARG  33  10.896  -7.410  -3.773
  291   HH11  ARG  33          1HH1      ARG  33  10.134 -10.828  -3.792
  292   HH12  ARG  33          2HH1      ARG  33  10.758 -11.094  -5.394
  293   HH21  ARG  33          1HH2      ARG  33  11.735  -7.761  -5.890
  294   HH22  ARG  33          2HH2      ARG  33  11.651  -9.356  -6.580
  295    H    LEU  34           H        LEU  34   5.230  -7.261  -1.346
  296    HA   LEU  34           HA       LEU  34   5.816  -9.100   0.836
  297    HB2  LEU  34           1HB      LEU  34   4.165  -6.591   0.712
  298    HB3  LEU  34           2HB      LEU  34   4.261  -7.607   2.135
  299    HG   LEU  34           HG       LEU  34   6.501  -6.049   0.859
  300   HD11  LEU  34          1HD1      LEU  34   5.202  -5.889   3.574
  301   HD12  LEU  34          2HD1      LEU  34   5.008  -4.740   2.250
  302   HD13  LEU  34          3HD1      LEU  34   6.577  -4.928   3.028
  303   HD21  LEU  34          3HD2      LEU  34   7.933  -6.935   2.636
  304   HD22  LEU  34          1HD2      LEU  34   7.350  -8.213   1.570
  305   HD23  LEU  34          2HD2      LEU  34   6.622  -7.992   3.161
  306    H    GLY  35           H        GLY  35   3.383  -8.640  -1.571
  307    HA2  GLY  35           1HA      GLY  35   2.167 -10.776  -1.947
  308    HA3  GLY  35           2HA      GLY  35   1.850 -10.783  -0.223
  309    H    LEU  36           H        LEU  36   1.589  -8.000  -2.412
  310    HA   LEU  36           HA       LEU  36  -1.266  -7.908  -1.733
  311    HB2  LEU  36           1HB      LEU  36   0.383  -5.757  -3.059
  312    HB3  LEU  36           2HB      LEU  36  -1.247  -5.610  -2.429
  313    HG   LEU  36           HG       LEU  36   1.257  -6.022  -0.795
  314   HD11  LEU  36          1HD1      LEU  36   0.731  -3.790   0.078
  315   HD12  LEU  36          2HD1      LEU  36  -0.618  -3.671  -1.053
  316   HD13  LEU  36          3HD1      LEU  36   1.037  -3.761  -1.658
  317   HD21  LEU  36          3HD2      LEU  36  -1.610  -5.738   0.087
  318   HD22  LEU  36          1HD2      LEU  36  -0.201  -5.803   1.144
  319   HD23  LEU  36          2HD2      LEU  36  -0.639  -7.208   0.174
  320    H    ASN  37           H        ASN  37  -2.780  -8.267  -3.210
  321    HA   ASN  37           HA       ASN  37  -2.029  -8.430  -6.024
  322    HB2  ASN  37           1HB      ASN  37  -4.119  -9.458  -6.459
  323    HB3  ASN  37           2HB      ASN  37  -3.558 -10.167  -4.956
  324   HD21  ASN  37          1HD2      ASN  37  -4.335  -7.924  -3.280
  325   HD22  ASN  37          2HD2      ASN  37  -6.059  -7.983  -3.191
  326    H    GLU  38           H        GLU  38  -3.374  -7.246  -7.621
  327    HA   GLU  38           HA       GLU  38  -3.092  -4.540  -7.210
  328    HB2  GLU  38           1HB      GLU  38  -4.968  -5.857  -9.172
  329    HB3  GLU  38           2HB      GLU  38  -4.362  -4.209  -9.271
  330    HG2  GLU  38           1HG      GLU  38  -2.941  -5.267 -10.716
  331    HG3  GLU  38           2HG      GLU  38  -2.024  -5.383  -9.213
  332    H    GLU  39           H        GLU  39  -5.993  -6.469  -6.644
  333    HA   GLU  39           HA       GLU  39  -7.825  -4.434  -6.142
  334    HB2  GLU  39           1HB      GLU  39  -8.702  -6.601  -6.171
  335    HB3  GLU  39           2HB      GLU  39  -7.464  -7.216  -5.088
  336    HG2  GLU  39           1HG      GLU  39  -9.692  -7.134  -4.057
  337    HG3  GLU  39           2HG      GLU  39  -8.508  -6.154  -3.201
  338    H    ALA  40           H        ALA  40  -5.650  -6.067  -3.859
  339    HA   ALA  40           HA       ALA  40  -6.376  -4.432  -1.646
  340    HB1  ALA  40           3HB      ALA  40  -5.457  -6.691  -1.378
  341    HB2  ALA  40           1HB      ALA  40  -4.519  -5.490  -0.490
  342    HB3  ALA  40           2HB      ALA  40  -3.912  -6.129  -2.018
  343    H    ILE  41           H        ILE  41  -3.989  -4.205  -4.171
  344    HA   ILE  41           HA       ILE  41  -2.356  -2.223  -2.984
  345    HB   ILE  41           HB       ILE  41  -2.846  -2.714  -5.931
  346   HG12  ILE  41          1HG1      ILE  41  -0.749  -3.844  -4.063
  347   HG13  ILE  41          2HG1      ILE  41  -2.090  -4.737  -4.781
  348   HG21  ILE  41          1HG2      ILE  41  -0.594  -1.300  -4.504
  349   HG22  ILE  41          2HG2      ILE  41  -1.813  -0.562  -5.544
  350   HG23  ILE  41          3HG2      ILE  41  -0.629  -1.675  -6.227
  351   HD11  ILE  41          3HD1      ILE  41   0.209  -3.480  -6.267
  352   HD12  ILE  41          1HD1      ILE  41  -1.135  -4.355  -7.002
  353   HD13  ILE  41          2HD1      ILE  41  -0.011  -5.199  -5.935
  354    H    ARG  42           H        ARG  42  -5.002  -2.009  -5.363
  355    HA   ARG  42           HA       ARG  42  -5.111   0.811  -5.332
  356    HB2  ARG  42           1HB      ARG  42  -6.036  -0.443  -7.193
  357    HB3  ARG  42           2HB      ARG  42  -7.217  -1.154  -6.113
  358    HG2  ARG  42           1HG      ARG  42  -8.206   0.984  -5.699
  359    HG3  ARG  42           2HG      ARG  42  -6.993   1.768  -6.703
  360    HD2  ARG  42           1HD      ARG  42  -7.865   0.629  -8.662
  361    HD3  ARG  42           2HD      ARG  42  -9.041  -0.230  -7.660
  362    HE   ARG  42           HE       ARG  42  -9.271   2.558  -7.262
  363   HH11  ARG  42          1HH1      ARG  42  -9.998   0.126  -9.672
  364   HH12  ARG  42          2HH1      ARG  42 -11.396   0.973 -10.271
  365   HH21  ARG  42          1HH2      ARG  42 -11.064   3.662  -8.025
  366   HH22  ARG  42          2HH2      ARG  42 -11.995   2.995  -9.334
  367    H    GLN  43           H        GLN  43  -6.785  -1.673  -3.520
  368    HA   GLN  43           HA       GLN  43  -8.754  -0.252  -2.226
  369    HB2  GLN  43           1HB      GLN  43  -8.519  -2.667  -2.013
  370    HB3  GLN  43           2HB      GLN  43  -6.993  -2.476  -1.148
  371    HG2  GLN  43           1HG      GLN  43  -8.141  -1.459   0.714
  372    HG3  GLN  43           2HG      GLN  43  -9.672  -1.518  -0.158
  373   HE21  GLN  43          1HE2      GLN  43  -9.189  -4.146  -1.278
  374   HE22  GLN  43          2HE2      GLN  43  -9.380  -5.266   0.031
  375    H    PHE  44           H        PHE  44  -5.323  -0.409  -1.507
  376    HA   PHE  44           HA       PHE  44  -5.473   0.901   0.998
  377    HB2  PHE  44           1HB      PHE  44  -3.578  -0.556  -0.043
  378    HB3  PHE  44           2HB      PHE  44  -3.033   0.963  -0.747
  379    HD1  PHE  44           HD1      PHE  44  -3.822  -0.706   2.454
  380    HD2  PHE  44           HD2      PHE  44  -1.785   2.488   0.515
  381    HE1  PHE  44           HE1      PHE  44  -2.676  -0.171   4.558
  382    HE2  PHE  44           HE2      PHE  44  -0.633   3.032   2.619
  383    HZ   PHE  44           HZ       PHE  44  -1.080   1.697   4.644
  384    H    PHE  45           H        PHE  45  -4.640   2.038  -2.275
  385    HA   PHE  45           HA       PHE  45  -4.125   4.715  -1.502
  386    HB2  PHE  45           1HB      PHE  45  -4.804   3.486  -4.169
  387    HB3  PHE  45           2HB      PHE  45  -4.459   5.199  -3.973
  388    HD1  PHE  45           HD1      PHE  45  -2.196   5.681  -2.663
  389    HD2  PHE  45           HD2      PHE  45  -3.093   2.115  -4.806
  390    HE1  PHE  45           HE1      PHE  45   0.210   5.233  -2.914
  391    HE2  PHE  45           HE2      PHE  45  -0.691   1.660  -5.060
  392    HZ   PHE  45           HZ       PHE  45   0.970   3.218  -4.115
  393    H    GLU  46           H        GLU  46  -7.020   3.113  -2.762
  394    HA   GLU  46           HA       GLU  46  -8.449   5.498  -3.301
  395    HB2  GLU  46           1HB      GLU  46  -9.461   2.691  -2.863
  396    HB3  GLU  46           2HB      GLU  46 -10.430   4.022  -3.477
  397    HG2  GLU  46           1HG      GLU  46  -7.935   3.019  -4.801
  398    HG3  GLU  46           2HG      GLU  46  -9.553   2.466  -5.208
  399    H    GLU  47           H        GLU  47  -8.338   3.364  -0.488
  400    HA   GLU  47           HA       GLU  47 -10.448   4.908   0.777
  401    HB2  GLU  47           1HB      GLU  47  -8.895   2.509   1.741
  402    HB3  GLU  47           2HB      GLU  47 -10.177   3.294   2.659
  403    HG2  GLU  47           1HG      GLU  47 -11.701   2.867   0.721
  404    HG3  GLU  47           2HG      GLU  47 -10.415   1.898   0.007
  405    H    PHE  48           H        PHE  48  -7.127   5.244   0.494
  406    HA   PHE  48           HA       PHE  48  -7.029   6.900   2.861
  407    HB2  PHE  48           1HB      PHE  48  -5.077   6.018   0.818
  408    HB3  PHE  48           2HB      PHE  48  -4.857   7.599   1.493
  409    HD1  PHE  48           HD1      PHE  48  -5.064   4.023   2.338
  410    HD2  PHE  48           HD2      PHE  48  -4.010   7.922   3.679
  411    HE1  PHE  48           HE1      PHE  48  -3.970   3.045   4.313
  412    HE2  PHE  48           HE2      PHE  48  -2.916   6.952   5.654
  413    HZ   PHE  48           HZ       PHE  48  -2.893   4.512   5.973
  414    H    GLU  49           H        GLU  49  -5.848   7.721  -0.328
  415    HA   GLU  49           HA       GLU  49  -5.625   9.771  -1.216
  416    HB2  GLU  49           1HB      GLU  49  -7.659   8.585  -2.253
  417    HB3  GLU  49           2HB      GLU  49  -8.624   9.742  -1.330
  418    HG2  GLU  49           1HG      GLU  49  -7.135  11.531  -2.356
  419    HG3  GLU  49           2HG      GLU  49  -6.625  10.268  -3.482
  420    H    GLN  50           H        GLN  50  -5.497  10.018   1.488
  421    HA   GLN  50           HA       GLN  50  -5.926  11.339   3.301
  422    HB2  GLN  50           1HB      GLN  50  -5.550  13.814   2.502
  423    HB3  GLN  50           2HB      GLN  50  -4.275  12.604   2.407
  424    HG2  GLN  50           1HG      GLN  50  -4.754  12.233   0.053
  425    HG3  GLN  50           2HG      GLN  50  -6.054  13.430   0.116
  426   HE21  GLN  50          1HE2      GLN  50  -4.579  15.174   1.909
  427   HE22  GLN  50          2HE2      GLN  50  -3.371  15.953   0.946
  428    H    ARG  51           H        ARG  51  -8.349  10.434   2.311
  429    HA   ARG  51           HA       ARG  51 -10.147  12.754   2.454
  430    HB2  ARG  51           1HB      ARG  51 -11.766  11.466   1.304
  431    HB3  ARG  51           2HB      ARG  51 -10.249  11.129   0.480
  432    HG2  ARG  51           1HG      ARG  51 -10.004   9.123   1.838
  433    HG3  ARG  51           2HG      ARG  51 -11.616   9.444   2.478
  434    HD2  ARG  51           1HD      ARG  51 -11.117   7.948   0.329
  435    HD3  ARG  51           2HD      ARG  51 -12.632   8.808   0.571
  436    HE   ARG  51           HE       ARG  51 -10.522  10.217  -0.849
  437   HH11  ARG  51          1HH1      ARG  51 -13.484   8.365  -1.035
  438   HH12  ARG  51          2HH1      ARG  51 -13.776   8.758  -2.702
  439   HH21  ARG  51          1HH2      ARG  51 -10.917  10.757  -3.049
  440   HH22  ARG  51          2HH2      ARG  51 -12.328  10.102  -3.841
  441    H    LYS  52           H        LYS  52 -12.068  12.578   3.743
  442    HA   LYS  52           HA       LYS  52 -12.028  10.473   5.783
  443    HB2  LYS  52           1HB      LYS  52 -12.472  13.419   6.348
  444    HB3  LYS  52           2HB      LYS  52 -12.684  12.126   7.513
  445    HG2  LYS  52           1HG      LYS  52 -10.618  12.960   8.074
  446    HG3  LYS  52           2HG      LYS  52 -10.191  11.608   7.026
  447    HD2  LYS  52           1HD      LYS  52  -9.964  13.180   5.137
  448    HD3  LYS  52           2HD      LYS  52 -10.332  14.517   6.229
  449    HE2  LYS  52           1HE      LYS  52  -7.978  12.639   6.449
  450    HE3  LYS  52           2HE      LYS  52  -7.929  14.309   5.884
  451    HZ1  LYS  52           3HZ      LYS  52  -8.654  13.388   8.617
  452    HZ2  LYS  52           1HZ      LYS  52  -8.736  15.000   8.087
  453    HZ3  LYS  52           2HZ      LYS  52  -7.241  14.207   8.164
  Start of MODEL   35
    1    H1   MET   1           1H       MET   1 -12.296  -9.400   4.396
    2    H2   MET   1           2H       MET   1 -12.218  -7.750   4.785
    3    H3   MET   1           3H       MET   1 -13.382  -8.739   5.522
    4    HA   MET   1           HA       MET   1 -11.647  -8.315   7.075
    5    HB2  MET   1           1HB      MET   1 -12.675 -10.551   7.097
    6    HB3  MET   1           2HB      MET   1 -11.478 -11.119   5.941
    7    HG2  MET   1           1HG      MET   1 -10.889 -11.875   8.135
    8    HG3  MET   1           2HG      MET   1  -9.710 -10.680   7.600
    9    HE1  MET   1           3HE      MET   1  -8.821 -10.408  10.091
   10    HE2  MET   1           1HE      MET   1  -9.978 -11.635  10.605
   11    HE3  MET   1           2HE      MET   1  -9.875 -10.099  11.469
   12    H    LYS   2           H        LYS   2 -10.104 -10.473   4.682
   13    HA   LYS   2           HA       LYS   2  -7.756  -8.694   4.759
   14    HB2  LYS   2           1HB      LYS   2  -7.703 -11.721   4.744
   15    HB3  LYS   2           2HB      LYS   2  -6.298 -10.669   4.676
   16    HG2  LYS   2           1HG      LYS   2  -6.794  -9.827   6.902
   17    HG3  LYS   2           2HG      LYS   2  -8.238 -10.836   6.972
   18    HD2  LYS   2           1HD      LYS   2  -6.761 -12.834   6.680
   19    HD3  LYS   2           2HD      LYS   2  -5.373 -11.758   6.832
   20    HE2  LYS   2           1HE      LYS   2  -7.532 -12.036   8.917
   21    HE3  LYS   2           2HE      LYS   2  -6.013 -12.928   8.944
   22    HZ1  LYS   2           3HZ      LYS   2  -6.034 -10.901  10.345
   23    HZ2  LYS   2           1HZ      LYS   2  -6.195  -9.962   8.942
   24    HZ3  LYS   2           2HZ      LYS   2  -4.802 -10.904   9.178
   25    H    GLN   3           H        GLN   3  -7.501  -7.853   2.823
   26    HA   GLN   3           HA       GLN   3  -8.139  -9.496   0.445
   27    HB2  GLN   3           1HB      GLN   3  -7.927  -6.477   0.572
   28    HB3  GLN   3           2HB      GLN   3  -8.520  -7.444  -0.772
   29    HG2  GLN   3           1HG      GLN   3  -9.844  -7.185   1.919
   30    HG3  GLN   3           2HG      GLN   3 -10.327  -6.349   0.446
   31   HE21  GLN   3          1HE2      GLN   3  -9.877  -8.606  -1.304
   32   HE22  GLN   3          2HE2      GLN   3 -11.148  -9.738  -0.973
   33    H    TRP   4           H        TRP   4  -5.732  -9.084   2.247
   34    HA   TRP   4           HA       TRP   4  -3.635  -8.962   0.334
   35    HB2  TRP   4           1HB      TRP   4  -2.622  -6.934   1.769
   36    HB3  TRP   4           2HB      TRP   4  -3.563  -6.667   0.321
   37    HD1  TRP   4           HD1      TRP   4  -5.065  -4.624   0.682
   38    HE1  TRP   4           HE1      TRP   4  -6.554  -3.738   2.580
   39    HE3  TRP   4           HE3      TRP   4  -4.003  -8.128   4.198
   40    HZ2  TRP   4           HZ2      TRP   4  -7.209  -4.464   5.244
   41    HZ3  TRP   4           HZ3      TRP   4  -5.098  -7.984   6.405
   42    HH2  TRP   4           HH2      TRP   4  -6.666  -6.181   6.914
   43    H    SER   5           H        SER   5  -1.484  -8.565   1.834
   44    HA   SER   5           HA       SER   5  -1.765 -10.309   4.137
   45    HB2  SER   5           1HB      SER   5   0.708  -8.937   3.045
   46    HB3  SER   5           2HB      SER   5   0.671 -10.208   4.268
   47    HG   SER   5           HG       SER   5   1.053 -10.714   1.871
   48    H    GLU   6           H        GLU   6  -2.455  -9.422   5.958
   49    HA   GLU   6           HA       GLU   6  -2.836  -6.824   6.652
   50    HB2  GLU   6           1HB      GLU   6  -3.657  -8.727   7.943
   51    HB3  GLU   6           2HB      GLU   6  -2.024  -9.073   8.495
   52    HG2  GLU   6           1HG      GLU   6  -1.982  -6.888   9.636
   53    HG3  GLU   6           2HG      GLU   6  -3.656  -6.629   9.143
   54    H    ASN   7           H        ASN   7   0.143  -8.661   7.240
   55    HA   ASN   7           HA       ASN   7   1.644  -6.798   8.622
   56    HB2  ASN   7           1HB      ASN   7   2.494  -8.696   6.445
   57    HB3  ASN   7           2HB      ASN   7   3.632  -7.807   7.451
   58   HD21  ASN   7          1HD2      ASN   7   3.285 -10.669   7.164
   59   HD22  ASN   7          2HD2      ASN   7   2.938 -11.269   8.756
   60    H    VAL   8           H        VAL   8   0.939  -6.975   5.208
   61    HA   VAL   8           HA       VAL   8   2.835  -5.017   4.400
   62    HB   VAL   8           HB       VAL   8   0.389  -5.982   2.920
   63   HG11  VAL   8          1HG1      VAL   8   1.352  -3.891   2.077
   64   HG12  VAL   8          2HG1      VAL   8   1.557  -5.219   0.939
   65   HG13  VAL   8          3HG1      VAL   8   2.921  -4.683   1.922
   66   HG21  VAL   8          3HG2      VAL   8   3.224  -7.005   2.869
   67   HG22  VAL   8          1HG2      VAL   8   1.923  -7.531   1.800
   68   HG23  VAL   8          2HG2      VAL   8   1.823  -7.844   3.533
   69    H    GLU   9           H        GLU   9  -0.709  -4.977   4.814
   70    HA   GLU   9           HA       GLU   9  -1.192  -2.369   4.015
   71    HB2  GLU   9           1HB      GLU   9  -2.998  -3.933   4.543
   72    HB3  GLU   9           2HB      GLU   9  -2.544  -3.903   6.245
   73    HG2  GLU   9           1HG      GLU   9  -3.047  -1.477   6.293
   74    HG3  GLU   9           2HG      GLU   9  -3.601  -1.588   4.624
   75    H    GLU  10           H        GLU  10  -0.338  -3.592   7.210
   76    HA   GLU  10           HA       GLU  10  -0.242  -1.250   8.669
   77    HB2  GLU  10           1HB      GLU  10   0.068  -3.296   9.822
   78    HB3  GLU  10           2HB      GLU  10   1.403  -3.775   8.781
   79    HG2  GLU  10           1HG      GLU  10   2.727  -1.901   9.724
   80    HG3  GLU  10           2HG      GLU  10   1.412  -1.609  10.865
   81    H    LYS  11           H        LYS  11   2.410  -2.771   6.853
   82    HA   LYS  11           HA       LYS  11   4.181  -0.631   7.609
   83    HB2  LYS  11           1HB      LYS  11   4.633  -3.188   7.377
   84    HB3  LYS  11           2HB      LYS  11   4.928  -2.790   5.689
   85    HG2  LYS  11           1HG      LYS  11   6.800  -1.552   6.163
   86    HG3  LYS  11           2HG      LYS  11   6.288  -1.208   7.815
   87    HD2  LYS  11           1HD      LYS  11   7.316  -3.834   6.745
   88    HD3  LYS  11           2HD      LYS  11   8.141  -2.749   7.865
   89    HE2  LYS  11           1HE      LYS  11   5.648  -4.371   8.366
   90    HE3  LYS  11           2HE      LYS  11   7.220  -4.550   9.135
   91    HZ1  LYS  11           3HZ      LYS  11   6.915  -2.669  10.411
   92    HZ2  LYS  11           1HZ      LYS  11   5.357  -3.336  10.393
   93    HZ3  LYS  11           2HZ      LYS  11   5.725  -2.013   9.395
   94    H    LEU  12           H        LEU  12   2.187  -1.356   4.913
   95    HA   LEU  12           HA       LEU  12   3.573   0.217   2.981
   96    HB2  LEU  12           1HB      LEU  12   1.427  -1.480   2.912
   97    HB3  LEU  12           2HB      LEU  12   0.634   0.077   2.782
   98    HG   LEU  12           HG       LEU  12   1.991   0.613   0.808
   99   HD11  LEU  12          1HD1      LEU  12   3.986  -0.636   1.302
  100   HD12  LEU  12          2HD1      LEU  12   3.328  -1.186  -0.240
  101   HD13  LEU  12          3HD1      LEU  12   3.100  -2.158   1.212
  102   HD21  LEU  12          3HD2      LEU  12  -0.173  -0.437   0.474
  103   HD22  LEU  12          1HD2      LEU  12   0.553  -2.035   0.648
  104   HD23  LEU  12          2HD2      LEU  12   0.975  -1.017  -0.728
  105    H    LYS  13           H        LYS  13   0.866   0.808   5.186
  106    HA   LYS  13           HA       LYS  13   0.440   3.522   4.860
  107    HB2  LYS  13           1HB      LYS  13  -0.957   2.403   6.384
  108    HB3  LYS  13           2HB      LYS  13   0.399   1.684   7.239
  109    HG2  LYS  13           1HG      LYS  13   0.961   4.074   7.965
  110    HG3  LYS  13           2HG      LYS  13  -0.676   4.476   7.440
  111    HD2  LYS  13           1HD      LYS  13  -1.573   2.754   8.934
  112    HD3  LYS  13           2HD      LYS  13   0.067   2.351   9.452
  113    HE2  LYS  13           1HE      LYS  13  -0.818   3.762  11.132
  114    HE3  LYS  13           2HE      LYS  13   0.290   4.760  10.188
  115    HZ1  LYS  13           3HZ      LYS  13  -1.609   5.664   8.986
  116    HZ2  LYS  13           1HZ      LYS  13  -1.785   5.921  10.655
  117    HZ3  LYS  13           2HZ      LYS  13  -2.667   4.694   9.887
  118    H    GLU  14           H        GLU  14   2.841   1.887   6.865
  119    HA   GLU  14           HA       GLU  14   4.045   4.212   7.893
  120    HB2  GLU  14           1HB      GLU  14   5.307   1.490   7.515
  121    HB3  GLU  14           2HB      GLU  14   5.828   2.741   8.637
  122    HG2  GLU  14           1HG      GLU  14   3.749   2.514   9.882
  123    HG3  GLU  14           2HG      GLU  14   3.188   1.294   8.740
  124    H    PHE  15           H        PHE  15   4.815   2.183   5.085
  125    HA   PHE  15           HA       PHE  15   7.285   3.486   4.552
  126    HB2  PHE  15           1HB      PHE  15   6.703   1.124   3.989
  127    HB3  PHE  15           2HB      PHE  15   5.630   1.733   2.741
  128    HD1  PHE  15           HD1      PHE  15   9.019   2.932   3.673
  129    HD2  PHE  15           HD2      PHE  15   6.610   0.961   0.773
  130    HE1  PHE  15           HE1      PHE  15  10.920   2.922   2.110
  131    HE2  PHE  15           HE2      PHE  15   8.505   0.948  -0.795
  132    HZ   PHE  15           HZ       PHE  15  10.659   1.930  -0.128
  133    H    VAL  16           H        VAL  16   3.986   4.073   3.592
  134    HA   VAL  16           HA       VAL  16   4.825   5.893   1.476
  135    HB   VAL  16           HB       VAL  16   2.050   5.158   2.427
  136   HG11  VAL  16          1HG1      VAL  16   1.241   6.314   0.439
  137   HG12  VAL  16          2HG1      VAL  16   2.888   6.804   0.040
  138   HG13  VAL  16          3HG1      VAL  16   2.112   7.425   1.498
  139   HG21  VAL  16          3HG2      VAL  16   3.574   4.376  -0.056
  140   HG22  VAL  16          1HG2      VAL  16   1.908   3.932   0.312
  141   HG23  VAL  16          2HG2      VAL  16   3.225   3.328   1.319
  142    H    LYS  17           H        LYS  17   2.939   6.087   4.505
  143    HA   LYS  17           HA       LYS  17   2.820   8.960   4.282
  144    HB2  LYS  17           1HB      LYS  17   0.874   7.803   5.128
  145    HB3  LYS  17           2HB      LYS  17   1.816   7.065   6.414
  146    HG2  LYS  17           1HG      LYS  17   0.502   8.848   7.322
  147    HG3  LYS  17           2HG      LYS  17   2.204   9.311   7.372
  148    HD2  LYS  17           1HD      LYS  17   1.085  11.229   6.614
  149    HD3  LYS  17           2HD      LYS  17   1.762  10.510   5.157
  150    HE2  LYS  17           1HE      LYS  17  -0.401  11.047   4.515
  151    HE3  LYS  17           2HE      LYS  17  -0.533   9.342   4.945
  152    HZ1  LYS  17           3HZ      LYS  17  -2.356  10.624   5.866
  153    HZ2  LYS  17           1HZ      LYS  17  -1.264  11.638   6.681
  154    HZ3  LYS  17           2HZ      LYS  17  -1.387  10.003   7.116
  155    H    ARG  18           H        ARG  18   4.428   6.627   6.413
  156    HA   ARG  18           HA       ARG  18   5.507   8.782   8.035
  157    HB2  ARG  18           1HB      ARG  18   5.744   5.779   8.273
  158    HB3  ARG  18           2HB      ARG  18   6.424   6.928   9.421
  159    HG2  ARG  18           1HG      ARG  18   4.218   7.731   9.990
  160    HG3  ARG  18           2HG      ARG  18   3.491   6.690   8.764
  161    HD2  ARG  18           1HD      ARG  18   4.166   4.719   9.951
  162    HD3  ARG  18           2HD      ARG  18   5.100   5.675  11.102
  163    HE   ARG  18           HE       ARG  18   2.626   6.666  11.437
  164   HH11  ARG  18          1HH1      ARG  18   3.813   3.374  11.288
  165   HH12  ARG  18          2HH1      ARG  18   2.614   2.742  12.373
  166   HH21  ARG  18          1HH2      ARG  18   1.043   5.848  12.892
  167   HH22  ARG  18          2HH2      ARG  18   1.049   4.150  13.292
  168    H    HIS  19           H        HIS  19   6.586   6.528   5.605
  169    HA   HIS  19           HA       HIS  19   9.383   7.193   6.035
  170    HB2  HIS  19           1HB      HIS  19   7.928   5.233   4.300
  171    HB3  HIS  19           2HB      HIS  19   9.581   5.672   3.889
  172    HD1  HIS  19           HD1      HIS  19  11.405   4.448   5.135
  173    HD2  HIS  19           HD2      HIS  19   7.674   4.059   6.938
  174    HE1  HIS  19           HE1      HIS  19  11.670   2.718   6.962
  175    H    GLN  20           H        GLN  20   9.919   6.851   3.130
  176    HA   GLN  20           HA       GLN  20  10.263   9.615   2.633
  177    HB2  GLN  20           1HB      GLN  20  11.364   8.886   0.576
  178    HB3  GLN  20           2HB      GLN  20  11.911   7.951   1.964
  179    HG2  GLN  20           1HG      GLN  20  10.450   6.123   1.331
  180    HG3  GLN  20           2HG      GLN  20   9.838   7.072  -0.020
  181   HE21  GLN  20          1HE2      GLN  20  12.503   8.172  -0.600
  182   HE22  GLN  20          2HE2      GLN  20  13.371   6.893  -1.379
  183    H    ARG  21           H        ARG  21   7.624   7.612   1.972
  184    HA   ARG  21           HA       ARG  21   5.725   7.841   0.729
  185    HB2  ARG  21           1HB      ARG  21   5.922  10.292   1.279
  186    HB3  ARG  21           2HB      ARG  21   6.819  10.501  -0.215
  187    HG2  ARG  21           1HG      ARG  21   4.868   9.748  -1.486
  188    HG3  ARG  21           2HG      ARG  21   3.970   9.563   0.026
  189    HD2  ARG  21           1HD      ARG  21   4.400  11.976   0.489
  190    HD3  ARG  21           2HD      ARG  21   5.103  12.110  -1.121
  191    HE   ARG  21           HE       ARG  21   2.518  11.019  -1.320
  192   HH11  ARG  21          1HH1      ARG  21   4.167  14.015  -0.630
  193   HH12  ARG  21          2HH1      ARG  21   2.820  15.017  -1.065
  194   HH21  ARG  21          1HH2      ARG  21   0.742  12.331  -1.950
  195   HH22  ARG  21          2HH2      ARG  21   0.883  14.065  -1.858
  196    H    ILE  22           H        ILE  22   5.333   6.762  -1.124
  197    HA   ILE  22           HA       ILE  22   7.521   6.729  -3.086
  198    HB   ILE  22           HB       ILE  22   7.734   4.877  -1.447
  199   HG12  ILE  22          1HG1      ILE  22   7.053   3.867  -4.206
  200   HG13  ILE  22          2HG1      ILE  22   8.552   4.706  -3.807
  201   HG21  ILE  22          1HG2      ILE  22   5.058   4.060  -2.550
  202   HG22  ILE  22          2HG2      ILE  22   5.495   4.367  -0.867
  203   HG23  ILE  22          3HG2      ILE  22   6.132   2.951  -1.701
  204   HD11  ILE  22          3HD1      ILE  22   9.074   2.942  -2.179
  205   HD12  ILE  22          1HD1      ILE  22   8.911   2.324  -3.825
  206   HD13  ILE  22          2HD1      ILE  22   7.604   2.092  -2.662
  207    H    THR  23           H        THR  23   6.979   6.152  -5.204
  208    HA   THR  23           HA       THR  23   4.265   6.737  -5.976
  209    HB   THR  23           HB       THR  23   5.295   6.308  -8.313
  210    HG1  THR  23           HG1      THR  23   7.509   6.205  -8.380
  211   HG21  THR  23          3HG2      THR  23   6.347   8.526  -6.549
  212   HG22  THR  23          1HG2      THR  23   4.828   8.542  -7.447
  213   HG23  THR  23          2HG2      THR  23   6.364   8.524  -8.312
  214    H    GLN  24           H        GLN  24   3.197   5.357  -7.678
  215    HA   GLN  24           HA       GLN  24   2.661   2.872  -6.473
  216    HB2  GLN  24           1HB      GLN  24   1.005   4.182  -7.752
  217    HB3  GLN  24           2HB      GLN  24   1.854   3.779  -9.238
  218    HG2  GLN  24           1HG      GLN  24   1.413   1.401  -8.834
  219    HG3  GLN  24           2HG      GLN  24   0.546   1.821  -7.360
  220   HE21  GLN  24          1HE2      GLN  24  -0.626   4.220  -8.605
  221   HE22  GLN  24          2HE2      GLN  24  -1.887   3.628  -9.637
  222    H    GLU  25           H        GLU  25   4.776   3.697  -9.158
  223    HA   GLU  25           HA       GLU  25   5.022   1.173 -10.324
  224    HB2  GLU  25           1HB      GLU  25   5.989   3.101 -11.407
  225    HB3  GLU  25           2HB      GLU  25   7.084   3.361 -10.052
  226    HG2  GLU  25           1HG      GLU  25   8.157   1.203 -10.538
  227    HG3  GLU  25           2HG      GLU  25   7.090   1.006 -11.926
  228    H    GLU  26           H        GLU  26   7.257   2.649  -7.979
  229    HA   GLU  26           HA       GLU  26   8.662   0.226  -7.530
  230    HB2  GLU  26           1HB      GLU  26   9.526   2.591  -7.193
  231    HB3  GLU  26           2HB      GLU  26   8.592   2.632  -5.707
  232    HG2  GLU  26           1HG      GLU  26  10.907   2.110  -5.258
  233    HG3  GLU  26           2HG      GLU  26   9.870   0.744  -4.846
  234    H    LEU  27           H        LEU  27   5.896   1.772  -6.088
  235    HA   LEU  27           HA       LEU  27   5.671   0.280  -3.727
  236    HB2  LEU  27           1HB      LEU  27   4.303   2.266  -4.256
  237    HB3  LEU  27           2HB      LEU  27   3.473   1.351  -5.502
  238    HG   LEU  27           HG       LEU  27   2.906  -0.266  -3.507
  239   HD11  LEU  27          1HD1      LEU  27   3.408   2.356  -2.111
  240   HD12  LEU  27          2HD1      LEU  27   4.253   0.832  -1.839
  241   HD13  LEU  27          3HD1      LEU  27   2.548   0.982  -1.420
  242   HD21  LEU  27          3HD2      LEU  27   0.829   1.002  -3.142
  243   HD22  LEU  27          1HD2      LEU  27   1.260   0.898  -4.850
  244   HD23  LEU  27          2HD2      LEU  27   1.552   2.390  -3.956
  245    H    HIS  28           H        HIS  28   4.611  -0.384  -7.038
  246    HA   HIS  28           HA       HIS  28   3.037  -2.646  -6.401
  247    HB2  HIS  28           1HB      HIS  28   3.087  -1.208  -8.567
  248    HB3  HIS  28           2HB      HIS  28   4.371  -2.303  -9.070
  249    HD1  HIS  28           HD1      HIS  28   3.317  -5.013  -8.246
  250    HD2  HIS  28           HD2      HIS  28   0.888  -2.034  -9.823
  251    HE1  HIS  28           HE1      HIS  28   1.250  -6.171  -9.108
  252    H    GLN  29           H        GLN  29   6.413  -2.251  -7.302
  253    HA   GLN  29           HA       GLN  29   7.096  -4.978  -7.509
  254    HB2  GLN  29           1HB      GLN  29   8.455  -2.850  -8.109
  255    HB3  GLN  29           2HB      GLN  29   8.933  -2.849  -6.422
  256    HG2  GLN  29           1HG      GLN  29   9.374  -5.194  -8.246
  257    HG3  GLN  29           2HG      GLN  29  10.542  -3.891  -8.053
  258   HE21  GLN  29          1HE2      GLN  29   9.169  -6.740  -6.681
  259   HE22  GLN  29          2HE2      GLN  29  10.222  -6.833  -5.309
  260    H    TYR  30           H        TYR  30   7.244  -2.690  -4.814
  261    HA   TYR  30           HA       TYR  30   8.100  -4.465  -2.814
  262    HB2  TYR  30           1HB      TYR  30   7.948  -1.881  -2.850
  263    HB3  TYR  30           2HB      TYR  30   6.284  -2.109  -2.335
  264    HD1  TYR  30           HD1      TYR  30   9.693  -3.306  -1.382
  265    HD2  TYR  30           HD2      TYR  30   5.878  -1.960  -0.066
  266    HE1  TYR  30           HE1      TYR  30  10.468  -3.415   0.947
  267    HE2  TYR  30           HE2      TYR  30   6.646  -2.058   2.271
  268    HH   TYR  30           HH       TYR  30   9.864  -2.285   3.144
  269    H    ALA  31           H        ALA  31   4.976  -3.819  -4.215
  270    HA   ALA  31           HA       ALA  31   3.357  -4.916  -2.169
  271    HB1  ALA  31           3HB      ALA  31   2.782  -4.544  -5.108
  272    HB2  ALA  31           1HB      ALA  31   2.471  -3.372  -3.827
  273    HB3  ALA  31           2HB      ALA  31   1.581  -4.895  -3.867
  274    H    GLN  32           H        GLN  32   4.377  -6.251  -5.319
  275    HA   GLN  32           HA       GLN  32   3.140  -8.766  -4.866
  276    HB2  GLN  32           1HB      GLN  32   5.294  -7.964  -6.818
  277    HB3  GLN  32           2HB      GLN  32   4.484  -9.525  -6.818
  278    HG2  GLN  32           1HG      GLN  32   2.325  -8.322  -7.115
  279    HG3  GLN  32           2HG      GLN  32   3.244  -6.830  -7.310
  280   HE21  GLN  32          1HE2      GLN  32   1.471  -8.274  -9.151
  281   HE22  GLN  32          2HE2      GLN  32   2.418  -8.570 -10.574
  282    H    ARG  33           H        ARG  33   6.276  -7.457  -4.139
  283    HA   ARG  33           HA       ARG  33   7.596  -9.866  -3.504
  284    HB2  ARG  33           1HB      ARG  33   8.847  -7.823  -3.800
  285    HB3  ARG  33           2HB      ARG  33   7.972  -7.044  -2.491
  286    HG2  ARG  33           1HG      ARG  33   8.973  -8.644  -0.909
  287    HG3  ARG  33           2HG      ARG  33   9.907  -9.335  -2.236
  288    HD2  ARG  33           1HD      ARG  33  11.116  -7.325  -2.550
  289    HD3  ARG  33           2HD      ARG  33  10.017  -6.423  -1.507
  290    HE   ARG  33           HE       ARG  33  11.359  -8.603  -0.183
  291   HH11  ARG  33          1HH1      ARG  33  11.667  -5.253  -1.169
  292   HH12  ARG  33          2HH1      ARG  33  12.698  -4.820   0.168
  293   HH21  ARG  33          1HH2      ARG  33  12.688  -8.033   1.594
  294   HH22  ARG  33          2HH2      ARG  33  13.272  -6.395   1.744
  295    H    LEU  34           H        LEU  34   5.237  -7.960  -1.785
  296    HA   LEU  34           HA       LEU  34   5.738  -9.486   0.672
  297    HB2  LEU  34           1HB      LEU  34   4.178  -6.945   0.217
  298    HB3  LEU  34           2HB      LEU  34   4.316  -7.763   1.761
  299    HG   LEU  34           HG       LEU  34   6.600  -6.536   0.212
  300   HD11  LEU  34          1HD1      LEU  34   6.659  -4.924   2.052
  301   HD12  LEU  34          2HD1      LEU  34   5.217  -5.667   2.743
  302   HD13  LEU  34          3HD1      LEU  34   5.131  -4.863   1.175
  303   HD21  LEU  34          3HD2      LEU  34   7.280  -8.513   1.496
  304   HD22  LEU  34          1HD2      LEU  34   6.570  -7.809   2.947
  305   HD23  LEU  34          2HD2      LEU  34   7.949  -7.028   2.172
  306    H    GLY  35           H        GLY  35   3.864  -9.786  -1.983
  307    HA2  GLY  35           1HA      GLY  35   2.305 -11.533  -2.211
  308    HA3  GLY  35           2HA      GLY  35   2.020 -11.478  -0.480
  309    H    LEU  36           H        LEU  36   1.844  -8.779  -2.793
  310    HA   LEU  36           HA       LEU  36  -0.948  -8.450  -1.955
  311    HB2  LEU  36           1HB      LEU  36   0.910  -6.471  -3.262
  312    HB3  LEU  36           2HB      LEU  36  -0.769  -6.163  -2.872
  313    HG   LEU  36           HG       LEU  36   1.487  -6.620  -0.925
  314   HD11  LEU  36          1HD1      LEU  36   0.825  -4.368  -0.160
  315   HD12  LEU  36          2HD1      LEU  36  -0.343  -4.284  -1.478
  316   HD13  LEU  36          3HD1      LEU  36   1.381  -4.382  -1.833
  317   HD21  LEU  36          3HD2      LEU  36  -0.494  -7.793  -0.134
  318   HD22  LEU  36          1HD2      LEU  36  -1.468  -6.344  -0.377
  319   HD23  LEU  36          2HD2      LEU  36  -0.191  -6.354   0.840
  320    H    ASN  37           H        ASN  37  -2.577  -8.649  -3.282
  321    HA   ASN  37           HA       ASN  37  -2.128  -8.857  -6.152
  322    HB2  ASN  37           1HB      ASN  37  -4.665  -9.204  -6.183
  323    HB3  ASN  37           2HB      ASN  37  -3.701 -10.461  -5.425
  324   HD21  ASN  37          1HD2      ASN  37  -4.332  -7.420  -3.818
  325   HD22  ASN  37          2HD2      ASN  37  -5.408  -8.064  -2.618
  326    H    GLU  38           H        GLU  38  -3.348  -7.493  -7.632
  327    HA   GLU  38           HA       GLU  38  -2.814  -4.808  -7.186
  328    HB2  GLU  38           1HB      GLU  38  -4.831  -5.889  -9.151
  329    HB3  GLU  38           2HB      GLU  38  -3.986  -4.350  -9.247
  330    HG2  GLU  38           1HG      GLU  38  -2.801  -5.640 -10.735
  331    HG3  GLU  38           2HG      GLU  38  -1.845  -5.820  -9.263
  332    H    GLU  39           H        GLU  39  -5.736  -6.602  -6.557
  333    HA   GLU  39           HA       GLU  39  -7.622  -4.619  -6.190
  334    HB2  GLU  39           1HB      GLU  39  -8.163  -6.971  -6.041
  335    HB3  GLU  39           2HB      GLU  39  -7.121  -7.158  -4.636
  336    HG2  GLU  39           1HG      GLU  39  -8.622  -5.624  -3.392
  337    HG3  GLU  39           2HG      GLU  39  -9.702  -5.624  -4.788
  338    H    ALA  40           H        ALA  40  -5.441  -6.003  -3.776
  339    HA   ALA  40           HA       ALA  40  -6.122  -4.227  -1.690
  340    HB1  ALA  40           3HB      ALA  40  -5.118  -6.422  -1.313
  341    HB2  ALA  40           1HB      ALA  40  -4.186  -5.140  -0.544
  342    HB3  ALA  40           2HB      ALA  40  -3.619  -5.858  -2.051
  343    H    ILE  41           H        ILE  41  -3.661  -4.177  -4.184
  344    HA   ILE  41           HA       ILE  41  -2.011  -2.171  -3.149
  345    HB   ILE  41           HB       ILE  41  -2.599  -2.717  -6.067
  346   HG12  ILE  41          1HG1      ILE  41  -0.517  -3.902  -4.209
  347   HG13  ILE  41          2HG1      ILE  41  -1.899  -4.751  -4.899
  348   HG21  ILE  41          1HG2      ILE  41  -1.464  -0.592  -5.705
  349   HG22  ILE  41          2HG2      ILE  41  -0.377  -1.757  -6.459
  350   HG23  ILE  41          3HG2      ILE  41  -0.231  -1.400  -4.738
  351   HD11  ILE  41          3HD1      ILE  41  -0.955  -4.445  -7.132
  352   HD12  ILE  41          1HD1      ILE  41   0.145  -5.318  -6.066
  353   HD13  ILE  41          2HD1      ILE  41   0.431  -3.615  -6.430
  354    H    ARG  42           H        ARG  42  -4.790  -1.931  -5.370
  355    HA   ARG  42           HA       ARG  42  -4.761   0.922  -5.337
  356    HB2  ARG  42           1HB      ARG  42  -5.695  -0.310  -7.231
  357    HB3  ARG  42           2HB      ARG  42  -6.940  -0.933  -6.172
  358    HG2  ARG  42           1HG      ARG  42  -7.767   1.294  -5.773
  359    HG3  ARG  42           2HG      ARG  42  -6.519   1.954  -6.827
  360    HD2  ARG  42           1HD      ARG  42  -7.484   0.720  -8.712
  361    HD3  ARG  42           2HD      ARG  42  -8.737   0.076  -7.645
  362    HE   ARG  42           HE       ARG  42  -8.523   2.960  -7.683
  363   HH11  ARG  42          1HH1      ARG  42 -10.082   0.187  -9.183
  364   HH12  ARG  42          2HH1      ARG  42 -11.489   1.095  -9.656
  365   HH21  ARG  42          1HH2      ARG  42 -10.346   4.116  -8.241
  366   HH22  ARG  42          2HH2      ARG  42 -11.631   3.357  -9.142
  367    H    GLN  43           H        GLN  43  -6.400  -1.579  -3.539
  368    HA   GLN  43           HA       GLN  43  -8.505  -0.189  -2.419
  369    HB2  GLN  43           1HB      GLN  43  -8.154  -2.629  -2.238
  370    HB3  GLN  43           2HB      GLN  43  -6.836  -2.353  -1.104
  371    HG2  GLN  43           1HG      GLN  43  -9.492  -1.198  -0.445
  372    HG3  GLN  43           2HG      GLN  43  -9.286  -2.944  -0.306
  373   HE21  GLN  43          1HE2      GLN  43  -9.731  -0.916   1.772
  374   HE22  GLN  43          2HE2      GLN  43  -8.403  -1.072   2.871
  375    H    PHE  44           H        PHE  44  -5.163  -0.382  -1.271
  376    HA   PHE  44           HA       PHE  44  -5.825   1.345   0.984
  377    HB2  PHE  44           1HB      PHE  44  -4.450  -0.797   1.173
  378    HB3  PHE  44           2HB      PHE  44  -3.152   0.093   0.386
  379    HD1  PHE  44           HD1      PHE  44  -5.546   0.563   3.211
  380    HD2  PHE  44           HD2      PHE  44  -1.577   1.028   1.749
  381    HE1  PHE  44           HE1      PHE  44  -4.847   1.444   5.397
  382    HE2  PHE  44           HE2      PHE  44  -0.873   1.905   3.930
  383    HZ   PHE  44           HZ       PHE  44  -2.509   2.115   5.764
  384    H    PHE  45           H        PHE  45  -3.629   1.298  -1.818
  385    HA   PHE  45           HA       PHE  45  -2.290   3.681  -1.199
  386    HB2  PHE  45           1HB      PHE  45  -1.606   1.822  -2.805
  387    HB3  PHE  45           2HB      PHE  45  -2.674   2.592  -3.973
  388    HD1  PHE  45           HD1      PHE  45  -0.136   3.738  -1.532
  389    HD2  PHE  45           HD2      PHE  45  -1.551   3.822  -5.533
  390    HE1  PHE  45           HE1      PHE  45   1.720   5.249  -2.148
  391    HE2  PHE  45           HE2      PHE  45   0.292   5.330  -6.166
  392    HZ   PHE  45           HZ       PHE  45   1.935   6.043  -4.473
  393    H    GLU  46           H        GLU  46  -5.149   3.084  -3.206
  394    HA   GLU  46           HA       GLU  46  -5.149   5.825  -4.111
  395    HB2  GLU  46           1HB      GLU  46  -5.919   3.859  -5.508
  396    HB3  GLU  46           2HB      GLU  46  -7.352   3.805  -4.489
  397    HG2  GLU  46           1HG      GLU  46  -7.846   6.135  -5.123
  398    HG3  GLU  46           2HG      GLU  46  -6.457   6.097  -6.206
  399    H    GLU  47           H        GLU  47  -7.345   3.805  -2.177
  400    HA   GLU  47           HA       GLU  47  -8.952   6.090  -1.455
  401    HB2  GLU  47           1HB      GLU  47  -9.774   3.701  -1.889
  402    HB3  GLU  47           2HB      GLU  47  -9.130   3.306  -0.303
  403    HG2  GLU  47           1HG      GLU  47 -10.638   4.815   0.763
  404    HG3  GLU  47           2HG      GLU  47 -11.180   5.449  -0.792
  405    H    PHE  48           H        PHE  48  -6.210   6.189  -0.687
  406    HA   PHE  48           HA       PHE  48  -5.907   5.539   2.063
  407    HB2  PHE  48           1HB      PHE  48  -4.082   5.825   0.266
  408    HB3  PHE  48           2HB      PHE  48  -4.246   7.552   0.563
  409    HD1  PHE  48           HD1      PHE  48  -3.592   4.334   2.304
  410    HD2  PHE  48           HD2      PHE  48  -3.017   8.554   2.252
  411    HE1  PHE  48           HE1      PHE  48  -2.014   4.144   4.186
  412    HE2  PHE  48           HE2      PHE  48  -1.443   8.367   4.135
  413    HZ   PHE  48           HZ       PHE  48  -0.939   6.159   5.100
  414    H    GLU  49           H        GLU  49  -5.954   8.712   0.426
  415    HA   GLU  49           HA       GLU  49  -7.868   9.893   2.099
  416    HB2  GLU  49           1HB      GLU  49  -6.447  11.384   3.457
  417    HB3  GLU  49           2HB      GLU  49  -6.219   9.692   3.876
  418    HG2  GLU  49           1HG      GLU  49  -4.145   9.644   2.581
  419    HG3  GLU  49           2HG      GLU  49  -4.386  11.331   2.130
  420    H    GLN  50           H        GLN  50  -5.096  10.295   0.009
  421    HA   GLN  50           HA       GLN  50  -5.864  13.068  -0.515
  422    HB2  GLN  50           1HB      GLN  50  -3.550  13.354  -1.296
  423    HB3  GLN  50           2HB      GLN  50  -3.633  12.764   0.358
  424    HG2  GLN  50           1HG      GLN  50  -3.183  10.489  -0.448
  425    HG3  GLN  50           2HG      GLN  50  -3.024  11.125  -2.086
  426   HE21  GLN  50          1HE2      GLN  50  -1.972  12.847   0.728
  427   HE22  GLN  50          2HE2      GLN  50  -0.271  12.724   0.430
  428    H    ARG  51           H        ARG  51  -7.031  10.621  -1.798
  429    HA   ARG  51           HA       ARG  51  -6.193  10.905  -4.552
  430    HB2  ARG  51           1HB      ARG  51  -7.696   9.158  -5.099
  431    HB3  ARG  51           2HB      ARG  51  -6.868   8.694  -3.621
  432    HG2  ARG  51           1HG      ARG  51  -8.779   9.285  -2.305
  433    HG3  ARG  51           2HG      ARG  51  -9.577   9.923  -3.742
  434    HD2  ARG  51           1HD      ARG  51  -9.607   7.707  -4.743
  435    HD3  ARG  51           2HD      ARG  51  -8.728   7.056  -3.358
  436    HE   ARG  51           HE       ARG  51 -10.964   8.121  -2.249
  437   HH11  ARG  51          1HH1      ARG  51 -10.407   5.827  -4.863
  438   HH12  ARG  51          2HH1      ARG  51 -11.875   4.949  -4.555
  439   HH21  ARG  51          1HH2      ARG  51 -12.884   6.970  -1.872
  440   HH22  ARG  51          2HH2      ARG  51 -13.287   5.603  -2.866
  441    H    LYS  52           H        LYS  52  -8.222  10.981  -6.132
  442    HA   LYS  52           HA       LYS  52  -9.740  12.319  -7.149
  443    HB2  LYS  52           1HB      LYS  52 -10.263  13.457  -4.395
  444    HB3  LYS  52           2HB      LYS  52 -11.187  13.846  -5.836
  445    HG2  LYS  52           1HG      LYS  52 -11.908  11.515  -6.001
  446    HG3  LYS  52           2HG      LYS  52 -10.982  11.131  -4.547
  447    HD2  LYS  52           1HD      LYS  52 -13.333  11.471  -4.007
  448    HD3  LYS  52           2HD      LYS  52 -12.334  12.726  -3.271
  449    HE2  LYS  52           1HE      LYS  52 -12.885  14.176  -5.253
  450    HE3  LYS  52           2HE      LYS  52 -14.057  12.949  -5.734
  451    HZ1  LYS  52           3HZ      LYS  52 -15.205  13.270  -3.637
  452    HZ2  LYS  52           1HZ      LYS  52 -15.084  14.738  -4.477
  453    HZ3  LYS  52           2HZ      LYS  52 -14.063  14.429  -3.161
  Start of MODEL   36
    1    H1   MET   1           1H       MET   1 -13.129 -10.450   3.307
    2    H2   MET   1           2H       MET   1 -13.899 -11.747   4.075
    3    H3   MET   1           3H       MET   1 -12.291 -11.907   3.550
    4    HA   MET   1           HA       MET   1 -13.239 -10.055   5.659
    5    HB2  MET   1           1HB      MET   1 -11.710 -12.659   5.824
    6    HB3  MET   1           2HB      MET   1 -11.883 -11.537   7.166
    7    HG2  MET   1           1HG      MET   1 -14.153 -12.914   5.750
    8    HG3  MET   1           2HG      MET   1 -13.445 -13.426   7.281
    9    HE1  MET   1           3HE      MET   1 -13.640 -12.063   9.537
   10    HE2  MET   1           1HE      MET   1 -14.381 -10.464   9.655
   11    HE3  MET   1           2HE      MET   1 -12.890 -10.678   8.741
   12    H    LYS   2           H        LYS   2 -10.251 -11.753   4.736
   13    HA   LYS   2           HA       LYS   2  -8.835  -9.178   4.920
   14    HB2  LYS   2           1HB      LYS   2  -7.677 -11.965   5.167
   15    HB3  LYS   2           2HB      LYS   2  -6.838 -10.449   5.465
   16    HG2  LYS   2           1HG      LYS   2  -8.247 -10.010   7.386
   17    HG3  LYS   2           2HG      LYS   2  -9.174 -11.476   7.070
   18    HD2  LYS   2           1HD      LYS   2  -7.058 -12.778   7.370
   19    HD3  LYS   2           2HD      LYS   2  -6.273 -11.282   7.875
   20    HE2  LYS   2           1HE      LYS   2  -8.715 -12.445   9.207
   21    HE3  LYS   2           2HE      LYS   2  -7.064 -12.731   9.754
   22    HZ1  LYS   2           3HZ      LYS   2  -8.150 -10.950  10.992
   23    HZ2  LYS   2           1HZ      LYS   2  -8.364 -10.061   9.563
   24    HZ3  LYS   2           2HZ      LYS   2  -6.800 -10.372  10.141
   25    H    GLN   3           H        GLN   3  -7.890  -8.415   3.095
   26    HA   GLN   3           HA       GLN   3  -8.205 -10.118   0.703
   27    HB2  GLN   3           1HB      GLN   3  -8.520  -7.113   0.898
   28    HB3  GLN   3           2HB      GLN   3  -8.745  -8.085  -0.552
   29    HG2  GLN   3           1HG      GLN   3 -10.401  -8.223   1.961
   30    HG3  GLN   3           2HG      GLN   3 -10.871  -7.473   0.437
   31   HE21  GLN   3          1HE2      GLN   3  -9.762  -9.512  -1.254
   32   HE22  GLN   3          2HE2      GLN   3 -10.777 -10.906  -1.079
   33    H    TRP   4           H        TRP   4  -5.937  -9.418   2.567
   34    HA   TRP   4           HA       TRP   4  -3.865  -9.315   0.633
   35    HB2  TRP   4           1HB      TRP   4  -2.784  -7.242   1.773
   36    HB3  TRP   4           2HB      TRP   4  -3.994  -6.997   0.539
   37    HD1  TRP   4           HD1      TRP   4  -4.630  -4.590   1.371
   38    HE1  TRP   4           HE1      TRP   4  -5.957  -3.707   3.392
   39    HE3  TRP   4           HE3      TRP   4  -4.708  -8.819   4.200
   40    HZ2  TRP   4           HZ2      TRP   4  -6.919  -4.680   5.841
   41    HZ3  TRP   4           HZ3      TRP   4  -5.868  -8.771   6.370
   42    HH2  TRP   4           HH2      TRP   4  -6.951  -6.736   7.177
   43    H    SER   5           H        SER   5  -1.707  -8.760   2.168
   44    HA   SER   5           HA       SER   5  -1.892 -10.590   4.397
   45    HB2  SER   5           1HB      SER   5   0.483  -8.879   3.643
   46    HB3  SER   5           2HB      SER   5   0.479 -10.379   4.570
   47    HG   SER   5           HG       SER   5   0.888 -11.246   2.689
   48    H    GLU   6           H        GLU   6  -2.784  -9.876   6.185
   49    HA   GLU   6           HA       GLU   6  -3.557  -7.373   6.880
   50    HB2  GLU   6           1HB      GLU   6  -4.128  -9.541   8.004
   51    HB3  GLU   6           2HB      GLU   6  -2.598  -9.434   8.858
   52    HG2  GLU   6           1HG      GLU   6  -3.312  -7.385   9.938
   53    HG3  GLU   6           2HG      GLU   6  -4.833  -7.427   9.042
   54    H    ASN   7           H        ASN   7  -0.402  -8.814   7.655
   55    HA   ASN   7           HA       ASN   7   0.445  -6.674   9.325
   56    HB2  ASN   7           1HB      ASN   7   2.082  -8.729   7.837
   57    HB3  ASN   7           2HB      ASN   7   2.717  -7.646   9.067
   58   HD21  ASN   7          1HD2      ASN   7   3.326  -9.155  10.517
   59   HD22  ASN   7          2HD2      ASN   7   2.224 -10.201  11.349
   60    H    VAL   8           H        VAL   8   0.304  -7.113   5.953
   61    HA   VAL   8           HA       VAL   8   2.508  -5.444   5.249
   62    HB   VAL   8           HB       VAL   8   0.277  -6.705   3.694
   63   HG11  VAL   8          1HG1      VAL   8   1.286  -5.825   1.655
   64   HG12  VAL   8          2HG1      VAL   8   2.388  -4.845   2.619
   65   HG13  VAL   8          3HG1      VAL   8   0.650  -4.539   2.673
   66   HG21  VAL   8          3HG2      VAL   8   2.133  -8.122   4.391
   67   HG22  VAL   8          1HG2      VAL   8   3.275  -7.014   3.627
   68   HG23  VAL   8          2HG2      VAL   8   2.121  -7.911   2.641
   69    H    GLU   9           H        GLU   9  -1.036  -4.974   5.304
   70    HA   GLU   9           HA       GLU   9  -1.051  -2.471   4.058
   71    HB2  GLU   9           1HB      GLU   9  -3.085  -3.833   4.491
   72    HB3  GLU   9           2HB      GLU   9  -2.964  -3.429   6.202
   73    HG2  GLU   9           1HG      GLU   9  -3.156  -1.027   5.577
   74    HG3  GLU   9           2HG      GLU   9  -3.434  -1.531   3.913
   75    H    GLU  10           H        GLU  10  -0.556  -3.376   7.408
   76    HA   GLU  10           HA       GLU  10  -0.419  -0.852   8.590
   77    HB2  GLU  10           1HB      GLU  10  -0.416  -2.691  10.051
   78    HB3  GLU  10           2HB      GLU  10   0.868  -3.508   9.172
   79    HG2  GLU  10           1HG      GLU  10   2.437  -1.742   9.950
   80    HG3  GLU  10           2HG      GLU  10   1.134  -1.098  10.955
   81    H    LYS  11           H        LYS  11   2.236  -2.865   7.363
   82    HA   LYS  11           HA       LYS  11   4.212  -0.884   7.874
   83    HB2  LYS  11           1HB      LYS  11   4.578  -3.325   7.969
   84    HB3  LYS  11           2HB      LYS  11   4.395  -3.398   6.223
   85    HG2  LYS  11           1HG      LYS  11   6.368  -2.038   5.918
   86    HG3  LYS  11           2HG      LYS  11   6.538  -1.844   7.664
   87    HD2  LYS  11           1HD      LYS  11   6.577  -4.518   6.268
   88    HD3  LYS  11           2HD      LYS  11   8.031  -3.592   6.647
   89    HE2  LYS  11           1HE      LYS  11   7.639  -3.764   8.982
   90    HE3  LYS  11           2HE      LYS  11   6.006  -4.376   8.735
   91    HZ1  LYS  11           3HZ      LYS  11   7.513  -6.138   9.360
   92    HZ2  LYS  11           1HZ      LYS  11   8.510  -5.813   8.025
   93    HZ3  LYS  11           2HZ      LYS  11   6.932  -6.390   7.792
   94    H    LEU  12           H        LEU  12   2.268  -1.714   5.126
   95    HA   LEU  12           HA       LEU  12   3.740  -0.496   3.074
   96    HB2  LEU  12           1HB      LEU  12   1.685  -1.937   2.829
   97    HB3  LEU  12           2HB      LEU  12   0.731  -0.554   3.331
   98    HG   LEU  12           HG       LEU  12   1.629   0.693   1.351
   99   HD11  LEU  12          1HD1      LEU  12   3.651  -0.564   0.962
  100   HD12  LEU  12          2HD1      LEU  12   2.617  -0.661  -0.464
  101   HD13  LEU  12          3HD1      LEU  12   2.720  -2.028   0.646
  102   HD21  LEU  12          3HD2      LEU  12   0.122  -1.864   0.796
  103   HD22  LEU  12          1HD2      LEU  12   0.192  -0.462  -0.270
  104   HD23  LEU  12          2HD2      LEU  12  -0.580  -0.330   1.310
  105    H    LYS  13           H        LYS  13   1.178   0.800   5.159
  106    HA   LYS  13           HA       LYS  13   1.257   3.450   4.230
  107    HB2  LYS  13           1HB      LYS  13  -0.583   2.632   5.591
  108    HB3  LYS  13           2HB      LYS  13   0.508   2.344   6.937
  109    HG2  LYS  13           1HG      LYS  13   0.922   4.740   7.128
  110    HG3  LYS  13           2HG      LYS  13  -0.166   5.036   5.772
  111    HD2  LYS  13           1HD      LYS  13  -1.270   5.434   7.919
  112    HD3  LYS  13           2HD      LYS  13  -2.023   4.102   7.043
  113    HE2  LYS  13           1HE      LYS  13  -0.896   2.483   8.433
  114    HE3  LYS  13           2HE      LYS  13   0.030   3.758   9.227
  115    HZ1  LYS  13           3HZ      LYS  13  -1.930   4.598  10.231
  116    HZ2  LYS  13           1HZ      LYS  13  -1.906   2.924  10.512
  117    HZ3  LYS  13           2HZ      LYS  13  -2.930   3.574   9.322
  118    H    GLU  14           H        GLU  14   3.087   1.767   6.708
  119    HA   GLU  14           HA       GLU  14   4.407   3.980   7.833
  120    HB2  GLU  14           1HB      GLU  14   5.460   1.161   7.548
  121    HB3  GLU  14           2HB      GLU  14   6.004   2.368   8.704
  122    HG2  GLU  14           1HG      GLU  14   3.217   1.243   8.627
  123    HG3  GLU  14           2HG      GLU  14   4.511   0.611   9.642
  124    H    PHE  15           H        PHE  15   5.125   2.007   5.007
  125    HA   PHE  15           HA       PHE  15   7.740   3.210   4.706
  126    HB2  PHE  15           1HB      PHE  15   7.385   0.803   4.328
  127    HB3  PHE  15           2HB      PHE  15   6.297   1.181   2.999
  128    HD1  PHE  15           HD1      PHE  15   9.772   1.970   4.115
  129    HD2  PHE  15           HD2      PHE  15   7.165   1.062   0.875
  130    HE1  PHE  15           HE1      PHE  15  11.688   1.981   2.573
  131    HE2  PHE  15           HE2      PHE  15   9.079   1.061  -0.669
  132    HZ   PHE  15           HZ       PHE  15  11.344   1.526   0.179
  133    H    VAL  16           H        VAL  16   4.559   3.701   3.466
  134    HA   VAL  16           HA       VAL  16   5.575   5.329   1.258
  135    HB   VAL  16           HB       VAL  16   2.706   4.739   2.035
  136   HG11  VAL  16          1HG1      VAL  16   3.846   6.026  -0.445
  137   HG12  VAL  16          2HG1      VAL  16   2.931   6.843   0.822
  138   HG13  VAL  16          3HG1      VAL  16   2.149   5.620  -0.181
  139   HG21  VAL  16          3HG2      VAL  16   2.694   3.224   0.130
  140   HG22  VAL  16          1HG2      VAL  16   3.918   2.739   1.304
  141   HG23  VAL  16          2HG2      VAL  16   4.395   3.575  -0.174
  142    H    LYS  17           H        LYS  17   3.135   5.788   3.797
  143    HA   LYS  17           HA       LYS  17   3.040   8.590   3.534
  144    HB2  LYS  17           1HB      LYS  17   1.158   7.417   4.397
  145    HB3  LYS  17           2HB      LYS  17   2.117   6.703   5.684
  146    HG2  LYS  17           1HG      LYS  17   2.435   8.988   6.617
  147    HG3  LYS  17           2HG      LYS  17   1.286   9.579   5.410
  148    HD2  LYS  17           1HD      LYS  17  -0.436   8.152   6.277
  149    HD3  LYS  17           2HD      LYS  17   0.693   7.394   7.396
  150    HE2  LYS  17           1HE      LYS  17  -0.629   8.951   8.635
  151    HE3  LYS  17           2HE      LYS  17   0.986   9.632   8.488
  152    HZ1  LYS  17           3HZ      LYS  17  -0.567  11.344   8.079
  153    HZ2  LYS  17           1HZ      LYS  17  -1.453  10.402   6.983
  154    HZ3  LYS  17           2HZ      LYS  17   0.101  10.947   6.568
  155    H    ARG  18           H        ARG  18   4.892   6.464   5.629
  156    HA   ARG  18           HA       ARG  18   5.814   8.816   7.134
  157    HB2  ARG  18           1HB      ARG  18   5.904   5.925   7.997
  158    HB3  ARG  18           2HB      ARG  18   6.189   7.344   8.999
  159    HG2  ARG  18           1HG      ARG  18   3.891   8.003   8.824
  160    HG3  ARG  18           2HG      ARG  18   3.567   6.718   7.661
  161    HD2  ARG  18           1HD      ARG  18   2.744   5.913   9.702
  162    HD3  ARG  18           2HD      ARG  18   4.293   5.105   9.480
  163    HE   ARG  18           HE       ARG  18   4.909   7.313  10.958
  164   HH11  ARG  18          1HH1      ARG  18   2.756   4.569  11.304
  165   HH12  ARG  18          2HH1      ARG  18   2.698   4.675  13.037
  166   HH21  ARG  18          1HH2      ARG  18   4.848   7.440  13.247
  167   HH22  ARG  18          2HH2      ARG  18   3.877   6.308  14.145
  168    H    HIS  19           H        HIS  19   6.901   7.511   4.564
  169    HA   HIS  19           HA       HIS  19   9.676   7.515   5.489
  170    HB2  HIS  19           1HB      HIS  19   8.287   5.325   4.076
  171    HB3  HIS  19           2HB      HIS  19   9.891   5.725   3.472
  172    HD1  HIS  19           HD1      HIS  19   8.141   4.180   6.387
  173    HD2  HIS  19           HD2      HIS  19  12.000   5.181   5.219
  174    HE1  HIS  19           HE1      HIS  19   9.699   2.991   7.986
  175    H    GLN  20           H        GLN  20   8.340   9.669   4.346
  176    HA   GLN  20           HA       GLN  20   8.756  11.344   2.867
  177    HB2  GLN  20           1HB      GLN  20  11.051   9.555   2.102
  178    HB3  GLN  20           2HB      GLN  20  10.853  11.201   1.519
  179    HG2  GLN  20           1HG      GLN  20  11.159  12.090   3.699
  180    HG3  GLN  20           2HG      GLN  20  11.063  10.488   4.434
  181   HE21  GLN  20          1HE2      GLN  20  13.036  12.722   2.665
  182   HE22  GLN  20          2HE2      GLN  20  14.526  11.859   2.851
  183    H    ARG  21           H        ARG  21   7.151   8.889   2.129
  184    HA   ARG  21           HA       ARG  21   5.841   8.212   0.417
  185    HB2  ARG  21           1HB      ARG  21   6.989  10.610  -1.004
  186    HB3  ARG  21           2HB      ARG  21   5.693   9.611  -1.639
  187    HG2  ARG  21           1HG      ARG  21   4.360  10.193   0.394
  188    HG3  ARG  21           2HG      ARG  21   5.631  11.345   0.813
  189    HD2  ARG  21           1HD      ARG  21   3.853  12.492  -0.352
  190    HD3  ARG  21           2HD      ARG  21   5.296  12.456  -1.365
  191    HE   ARG  21           HE       ARG  21   2.943  10.712  -1.737
  192   HH11  ARG  21          1HH1      ARG  21   5.745  12.391  -3.017
  193   HH12  ARG  21          2HH1      ARG  21   5.363  12.008  -4.672
  194   HH21  ARG  21          1HH2      ARG  21   2.465  10.189  -3.909
  195   HH22  ARG  21          2HH2      ARG  21   3.517  10.753  -5.177
  196    H    ILE  22           H        ILE  22   5.943   7.578  -2.024
  197    HA   ILE  22           HA       ILE  22   8.565   6.918  -3.012
  198    HB   ILE  22           HB       ILE  22   8.290   5.104  -1.416
  199   HG12  ILE  22          1HG1      ILE  22   7.800   4.119  -4.235
  200   HG13  ILE  22          2HG1      ILE  22   9.364   4.605  -3.587
  201   HG21  ILE  22          1HG2      ILE  22   5.707   4.493  -2.840
  202   HG22  ILE  22          2HG2      ILE  22   5.873   5.138  -1.208
  203   HG23  ILE  22          3HG2      ILE  22   6.442   3.509  -1.574
  204   HD11  ILE  22          3HD1      ILE  22   7.691   2.317  -2.577
  205   HD12  ILE  22          1HD1      ILE  22   9.288   2.785  -1.992
  206   HD13  ILE  22          2HD1      ILE  22   9.094   2.180  -3.637
  207    H    THR  23           H        THR  23   8.521   6.292  -5.213
  208    HA   THR  23           HA       THR  23   6.266   7.213  -6.675
  209    HB   THR  23           HB       THR  23   7.477   6.318  -8.672
  210    HG1  THR  23           HG1      THR  23   9.514   5.396  -8.366
  211   HG21  THR  23          3HG2      THR  23   7.891   8.590  -7.881
  212   HG22  THR  23          1HG2      THR  23   9.372   7.873  -8.513
  213   HG23  THR  23          2HG2      THR  23   9.124   7.989  -6.772
  214    H    GLN  24           H        GLN  24   4.874   6.039  -8.042
  215    HA   GLN  24           HA       GLN  24   3.742   3.748  -6.886
  216    HB2  GLN  24           1HB      GLN  24   2.563   5.433  -8.302
  217    HB3  GLN  24           2HB      GLN  24   3.386   4.780  -9.707
  218    HG2  GLN  24           1HG      GLN  24   1.721   2.993  -7.993
  219    HG3  GLN  24           2HG      GLN  24   0.956   4.065  -9.160
  220   HE21  GLN  24          1HE2      GLN  24   1.036   1.165  -9.076
  221   HE22  GLN  24          2HE2      GLN  24   1.736   0.651 -10.574
  222    H    GLU  25           H        GLU  25   6.125   4.192  -9.377
  223    HA   GLU  25           HA       GLU  25   6.241   1.732 -10.619
  224    HB2  GLU  25           1HB      GLU  25   7.621   3.601 -11.295
  225    HB3  GLU  25           2HB      GLU  25   8.491   3.559  -9.769
  226    HG2  GLU  25           1HG      GLU  25   9.256   1.248 -10.404
  227    HG3  GLU  25           2HG      GLU  25   8.594   1.566 -12.010
  228    H    GLU  26           H        GLU  26   8.411   2.642  -7.938
  229    HA   GLU  26           HA       GLU  26   9.207  -0.040  -7.449
  230    HB2  GLU  26           1HB      GLU  26  10.560   2.011  -6.928
  231    HB3  GLU  26           2HB      GLU  26   9.465   2.335  -5.592
  232    HG2  GLU  26           1HG      GLU  26  11.328   1.298  -4.633
  233    HG3  GLU  26           2HG      GLU  26  10.094   0.043  -4.709
  234    H    LEU  27           H        LEU  27   6.652   1.981  -6.270
  235    HA   LEU  27           HA       LEU  27   6.048   0.662  -3.874
  236    HB2  LEU  27           1HB      LEU  27   5.165   2.887  -4.708
  237    HB3  LEU  27           2HB      LEU  27   4.048   1.978  -5.705
  238    HG   LEU  27           HG       LEU  27   3.160   2.905  -3.506
  239   HD11  LEU  27          1HD1      LEU  27   2.881  -0.045  -4.068
  240   HD12  LEU  27          2HD1      LEU  27   1.921   1.261  -4.765
  241   HD13  LEU  27          3HD1      LEU  27   1.807   0.907  -3.041
  242   HD21  LEU  27          3HD2      LEU  27   5.080   2.307  -2.120
  243   HD22  LEU  27          1HD2      LEU  27   4.759   0.597  -2.400
  244   HD23  LEU  27          2HD2      LEU  27   3.598   1.578  -1.504
  245    H    HIS  28           H        HIS  28   4.860   0.102  -7.191
  246    HA   HIS  28           HA       HIS  28   3.046  -1.937  -6.421
  247    HB2  HIS  28           1HB      HIS  28   3.070  -0.612  -8.625
  248    HB3  HIS  28           2HB      HIS  28   4.300  -1.759  -9.156
  249    HD1  HIS  28           HD1      HIS  28   3.169  -4.414  -8.194
  250    HD2  HIS  28           HD2      HIS  28   0.816  -1.413  -9.848
  251    HE1  HIS  28           HE1      HIS  28   1.058  -5.532  -8.984
  252    H    GLN  29           H        GLN  29   6.407  -1.992  -7.523
  253    HA   GLN  29           HA       GLN  29   6.768  -4.773  -7.631
  254    HB2  GLN  29           1HB      GLN  29   8.360  -2.781  -8.247
  255    HB3  GLN  29           2HB      GLN  29   8.882  -2.909  -6.577
  256    HG2  GLN  29           1HG      GLN  29   9.044  -5.085  -8.653
  257    HG3  GLN  29           2HG      GLN  29  10.379  -4.086  -8.093
  258   HE21  GLN  29          1HE2      GLN  29   8.398  -6.819  -7.476
  259   HE22  GLN  29          2HE2      GLN  29   9.201  -7.343  -6.033
  260    H    TYR  30           H        TYR  30   7.218  -2.457  -4.991
  261    HA   TYR  30           HA       TYR  30   7.968  -4.234  -2.977
  262    HB2  TYR  30           1HB      TYR  30   8.073  -1.714  -2.942
  263    HB3  TYR  30           2HB      TYR  30   6.342  -1.716  -2.622
  264    HD1  TYR  30           HD1      TYR  30   9.375  -3.452  -1.279
  265    HD2  TYR  30           HD2      TYR  30   5.776  -1.353  -0.421
  266    HE1  TYR  30           HE1      TYR  30   9.855  -3.628   1.123
  267    HE2  TYR  30           HE2      TYR  30   6.242  -1.530   1.988
  268    HH   TYR  30           HH       TYR  30   7.535  -2.909   3.520
  269    H    ALA  31           H        ALA  31   4.773  -3.264  -4.127
  270    HA   ALA  31           HA       ALA  31   3.241  -4.373  -2.046
  271    HB1  ALA  31           3HB      ALA  31   1.369  -4.274  -3.618
  272    HB2  ALA  31           1HB      ALA  31   2.493  -3.997  -4.948
  273    HB3  ALA  31           2HB      ALA  31   2.322  -2.792  -3.672
  274    H    GLN  32           H        GLN  32   4.382  -5.721  -5.105
  275    HA   GLN  32           HA       GLN  32   3.049  -8.235  -4.712
  276    HB2  GLN  32           1HB      GLN  32   5.227  -7.454  -6.660
  277    HB3  GLN  32           2HB      GLN  32   4.306  -8.952  -6.704
  278    HG2  GLN  32           1HG      GLN  32   2.248  -7.665  -7.055
  279    HG3  GLN  32           2HG      GLN  32   3.194  -6.175  -7.060
  280   HE21  GLN  32          1HE2      GLN  32   2.402  -9.072  -8.778
  281   HE22  GLN  32          2HE2      GLN  32   3.087  -8.612 -10.299
  282    H    ARG  33           H        ARG  33   6.055  -6.859  -3.782
  283    HA   ARG  33           HA       ARG  33   7.387  -9.353  -3.292
  284    HB2  ARG  33           1HB      ARG  33   8.584  -7.213  -3.738
  285    HB3  ARG  33           2HB      ARG  33   8.026  -6.623  -2.177
  286    HG2  ARG  33           1HG      ARG  33  10.201  -7.373  -1.782
  287    HG3  ARG  33           2HG      ARG  33   9.165  -8.669  -1.185
  288    HD2  ARG  33           1HD      ARG  33  10.450  -8.645  -3.911
  289    HD3  ARG  33           2HD      ARG  33  11.132  -9.455  -2.504
  290    HE   ARG  33           HE       ARG  33   8.516 -10.384  -2.847
  291   HH11  ARG  33          1HH1      ARG  33  11.592 -10.502  -4.510
  292   HH12  ARG  33          2HH1      ARG  33  11.266 -12.030  -5.272
  293   HH21  ARG  33          1HH2      ARG  33   8.069 -12.375  -3.853
  294   HH22  ARG  33          2HH2      ARG  33   9.264 -13.102  -4.897
  295    H    LEU  34           H        LEU  34   5.369  -7.144  -1.446
  296    HA   LEU  34           HA       LEU  34   5.859  -8.536   1.034
  297    HB2  LEU  34           1HB      LEU  34   3.857  -6.404   0.308
  298    HB3  LEU  34           2HB      LEU  34   4.048  -7.075   1.914
  299    HG   LEU  34           HG       LEU  34   6.064  -5.436   0.389
  300   HD11  LEU  34          1HD1      LEU  34   4.564  -4.933   2.952
  301   HD12  LEU  34          2HD1      LEU  34   4.243  -4.170   1.395
  302   HD13  LEU  34          3HD1      LEU  34   5.767  -3.865   2.229
  303   HD21  LEU  34          3HD2      LEU  34   7.501  -5.647   2.348
  304   HD22  LEU  34          1HD2      LEU  34   7.189  -7.225   1.626
  305   HD23  LEU  34          2HD2      LEU  34   6.339  -6.744   3.093
  306    H    GLY  35           H        GLY  35   3.471  -8.596  -1.520
  307    HA2  GLY  35           1HA      GLY  35   2.419 -10.819  -1.790
  308    HA3  GLY  35           2HA      GLY  35   2.113 -10.779  -0.064
  309    H    LEU  36           H        LEU  36   1.675  -8.168  -2.422
  310    HA   LEU  36           HA       LEU  36  -1.146  -8.078  -1.614
  311    HB2  LEU  36           1HB      LEU  36   0.556  -5.962  -2.928
  312    HB3  LEU  36           2HB      LEU  36  -1.130  -5.779  -2.483
  313    HG   LEU  36           HG       LEU  36   1.149  -6.233  -0.565
  314   HD11  LEU  36          1HD1      LEU  36   1.188  -4.005  -1.534
  315   HD12  LEU  36          2HD1      LEU  36   0.685  -3.938   0.155
  316   HD13  LEU  36          3HD1      LEU  36  -0.515  -3.782  -1.130
  317   HD21  LEU  36          3HD2      LEU  36  -0.540  -5.805   1.166
  318   HD22  LEU  36          1HD2      LEU  36  -0.910  -7.250   0.223
  319   HD23  LEU  36          2HD2      LEU  36  -1.788  -5.752  -0.078
  320    H    ASN  37           H        ASN  37  -2.718  -8.395  -2.996
  321    HA   ASN  37           HA       ASN  37  -2.144  -8.653  -5.841
  322    HB2  ASN  37           1HB      ASN  37  -4.642  -9.291  -5.895
  323    HB3  ASN  37           2HB      ASN  37  -3.528 -10.422  -5.148
  324   HD21  ASN  37          1HD2      ASN  37  -4.611  -7.469  -3.575
  325   HD22  ASN  37          2HD2      ASN  37  -5.571  -8.253  -2.361
  326    H    GLU  38           H        GLU  38  -3.526  -7.472  -7.387
  327    HA   GLU  38           HA       GLU  38  -3.269  -4.739  -7.019
  328    HB2  GLU  38           1HB      GLU  38  -5.012  -6.290  -8.926
  329    HB3  GLU  38           2HB      GLU  38  -4.777  -4.550  -9.026
  330    HG2  GLU  38           1HG      GLU  38  -2.505  -4.770  -9.553
  331    HG3  GLU  38           2HG      GLU  38  -2.466  -6.458  -9.037
  332    H    GLU  39           H        GLU  39  -5.984  -6.786  -6.250
  333    HA   GLU  39           HA       GLU  39  -8.041  -4.973  -5.941
  334    HB2  GLU  39           1HB      GLU  39  -8.418  -7.323  -5.717
  335    HB3  GLU  39           2HB      GLU  39  -7.290  -7.436  -4.377
  336    HG2  GLU  39           1HG      GLU  39  -8.815  -6.087  -3.007
  337    HG3  GLU  39           2HG      GLU  39  -9.961  -6.060  -4.353
  338    H    ALA  40           H        ALA  40  -5.558  -5.907  -3.591
  339    HA   ALA  40           HA       ALA  40  -6.518  -4.055  -1.609
  340    HB1  ALA  40           3HB      ALA  40  -4.655  -4.834  -0.256
  341    HB2  ALA  40           1HB      ALA  40  -3.984  -5.691  -1.643
  342    HB3  ALA  40           2HB      ALA  40  -5.527  -6.200  -0.952
  343    H    ILE  41           H        ILE  41  -4.134  -4.075  -4.123
  344    HA   ILE  41           HA       ILE  41  -2.501  -1.968  -3.197
  345    HB   ILE  41           HB       ILE  41  -3.049  -2.854  -6.035
  346   HG12  ILE  41          1HG1      ILE  41  -0.791  -3.539  -4.138
  347   HG13  ILE  41          2HG1      ILE  41  -2.119  -4.613  -4.568
  348   HG21  ILE  41          1HG2      ILE  41  -0.828  -1.131  -4.941
  349   HG22  ILE  41          2HG2      ILE  41  -2.146  -0.596  -5.986
  350   HG23  ILE  41          3HG2      ILE  41  -0.941  -1.733  -6.594
  351   HD11  ILE  41          3HD1      ILE  41  -0.027  -3.539  -6.449
  352   HD12  ILE  41          1HD1      ILE  41  -1.361  -4.605  -6.892
  353   HD13  ILE  41          2HD1      ILE  41  -0.105  -5.175  -5.792
  354    H    ARG  42           H        ARG  42  -5.125  -1.940  -5.628
  355    HA   ARG  42           HA       ARG  42  -5.234   0.895  -5.763
  356    HB2  ARG  42           1HB      ARG  42  -6.075  -0.442  -7.591
  357    HB3  ARG  42           2HB      ARG  42  -7.270  -1.202  -6.551
  358    HG2  ARG  42           1HG      ARG  42  -8.489   0.832  -6.371
  359    HG3  ARG  42           2HG      ARG  42  -7.184   1.725  -7.149
  360    HD2  ARG  42           1HD      ARG  42  -9.037   1.336  -8.690
  361    HD3  ARG  42           2HD      ARG  42  -7.562   0.539  -9.225
  362    HE   ARG  42           HE       ARG  42  -8.949  -1.363  -7.807
  363   HH11  ARG  42          1HH1      ARG  42  -9.654   0.688 -10.553
  364   HH12  ARG  42          2HH1      ARG  42 -10.624  -0.504 -11.362
  365   HH21  ARG  42          1HH2      ARG  42 -10.270  -2.925  -8.840
  366   HH22  ARG  42          2HH2      ARG  42 -10.991  -2.553 -10.385
  367    H    GLN  43           H        GLN  43  -6.775  -1.492  -3.748
  368    HA   GLN  43           HA       GLN  43  -8.830  -0.028  -2.590
  369    HB2  GLN  43           1HB      GLN  43  -8.422  -2.449  -2.246
  370    HB3  GLN  43           2HB      GLN  43  -7.025  -2.059  -1.252
  371    HG2  GLN  43           1HG      GLN  43  -8.467  -0.955   0.366
  372    HG3  GLN  43           2HG      GLN  43  -9.873  -1.304  -0.636
  373   HE21  GLN  43          1HE2      GLN  43  -7.473  -2.609   1.496
  374   HE22  GLN  43          2HE2      GLN  43  -8.254  -4.134   1.765
  375    H    PHE  44           H        PHE  44  -5.395  -0.077  -1.861
  376    HA   PHE  44           HA       PHE  44  -5.589   1.507   0.518
  377    HB2  PHE  44           1HB      PHE  44  -3.795  -0.201  -0.089
  378    HB3  PHE  44           2HB      PHE  44  -3.122   1.032  -1.149
  379    HD1  PHE  44           HD1      PHE  44  -4.115   0.443   2.381
  380    HD2  PHE  44           HD2      PHE  44  -1.593   2.560  -0.316
  381    HE1  PHE  44           HE1      PHE  44  -2.881   1.388   4.288
  382    HE2  PHE  44           HE2      PHE  44  -0.345   3.502   1.586
  383    HZ   PHE  44           HZ       PHE  44  -0.993   2.919   3.893
  384    H    PHE  45           H        PHE  45  -5.059   2.168  -2.879
  385    HA   PHE  45           HA       PHE  45  -4.100   4.836  -2.401
  386    HB2  PHE  45           1HB      PHE  45  -4.743   3.284  -4.888
  387    HB3  PHE  45           2HB      PHE  45  -4.424   5.015  -4.958
  388    HD1  PHE  45           HD1      PHE  45  -2.248   5.660  -3.462
  389    HD2  PHE  45           HD2      PHE  45  -2.968   1.950  -5.414
  390    HE1  PHE  45           HE1      PHE  45   0.172   5.228  -3.522
  391    HE2  PHE  45           HE2      PHE  45  -0.549   1.514  -5.483
  392    HZ   PHE  45           HZ       PHE  45   1.024   3.151  -4.534
  393    H    GLU  46           H        GLU  46  -7.142   3.435  -3.628
  394    HA   GLU  46           HA       GLU  46  -8.236   6.062  -4.054
  395    HB2  GLU  46           1HB      GLU  46  -9.390   3.300  -4.316
  396    HB3  GLU  46           2HB      GLU  46 -10.370   4.747  -4.534
  397    HG2  GLU  46           1HG      GLU  46  -8.536   5.439  -6.223
  398    HG3  GLU  46           2HG      GLU  46  -8.104   3.730  -6.197
  399    H    GLU  47           H        GLU  47  -8.154   3.882  -1.411
  400    HA   GLU  47           HA       GLU  47 -10.203   5.506  -0.049
  401    HB2  GLU  47           1HB      GLU  47 -10.647   3.033  -0.288
  402    HB3  GLU  47           2HB      GLU  47  -9.265   2.753   0.761
  403    HG2  GLU  47           1HG      GLU  47 -10.324   3.798   2.591
  404    HG3  GLU  47           2HG      GLU  47 -11.601   4.454   1.568
  405    H    PHE  48           H        PHE  48  -7.432   6.223  -0.449
  406    HA   PHE  48           HA       PHE  48  -6.047   5.803   2.018
  407    HB2  PHE  48           1HB      PHE  48  -5.078   6.408  -0.337
  408    HB3  PHE  48           2HB      PHE  48  -5.417   8.063   0.161
  409    HD1  PHE  48           HD1      PHE  48  -3.783   4.983   1.486
  410    HD2  PHE  48           HD2      PHE  48  -3.763   9.235   1.213
  411    HE1  PHE  48           HE1      PHE  48  -1.667   5.059   2.750
  412    HE2  PHE  48           HE2      PHE  48  -1.655   9.312   2.477
  413    HZ   PHE  48           HZ       PHE  48  -0.606   7.224   3.250
  414    H    GLU  49           H        GLU  49  -5.343   7.679   3.346
  415    HA   GLU  49           HA       GLU  49  -7.691   8.809   4.477
  416    HB2  GLU  49           1HB      GLU  49  -6.152   9.800   6.133
  417    HB3  GLU  49           2HB      GLU  49  -5.881   8.078   5.903
  418    HG2  GLU  49           1HG      GLU  49  -3.977   8.625   4.412
  419    HG3  GLU  49           2HG      GLU  49  -4.227  10.330   4.784
  420    H    GLN  50           H        GLN  50  -5.436   9.961   2.159
  421    HA   GLN  50           HA       GLN  50  -5.952  12.751   2.726
  422    HB2  GLN  50           1HB      GLN  50  -4.332  11.426   0.552
  423    HB3  GLN  50           2HB      GLN  50  -4.482  13.166   0.749
  424    HG2  GLN  50           1HG      GLN  50  -3.297  11.248   2.743
  425    HG3  GLN  50           2HG      GLN  50  -2.403  12.353   1.701
  426   HE21  GLN  50          1HE2      GLN  50  -4.363  14.497   2.022
  427   HE22  GLN  50          2HE2      GLN  50  -4.127  15.132   3.611
  428    H    ARG  51           H        ARG  51  -7.145  10.301   0.580
  429    HA   ARG  51           HA       ARG  51  -8.155  12.121  -1.365
  430    HB2  ARG  51           1HB      ARG  51  -7.398   9.776  -1.842
  431    HB3  ARG  51           2HB      ARG  51  -8.828   9.203  -0.990
  432    HG2  ARG  51           1HG      ARG  51 -10.237  10.389  -2.568
  433    HG3  ARG  51           2HG      ARG  51  -8.801  10.939  -3.426
  434    HD2  ARG  51           1HD      ARG  51  -8.199   8.585  -3.863
  435    HD3  ARG  51           2HD      ARG  51  -9.696   8.080  -3.080
  436    HE   ARG  51           HE       ARG  51  -9.715   9.815  -5.467
  437   HH11  ARG  51          1HH1      ARG  51 -10.783   6.958  -3.751
  438   HH12  ARG  51          2HH1      ARG  51 -11.902   6.478  -4.993
  439   HH21  ARG  51          1HH2      ARG  51 -11.172   9.198  -7.090
  440   HH22  ARG  51          2HH2      ARG  51 -12.120   7.747  -6.903
  441    H    LYS  52           H        LYS  52 -10.157  12.939  -1.537
  442    HA   LYS  52           HA       LYS  52 -12.238  11.979   0.289
  443    HB2  LYS  52           1HB      LYS  52 -13.011  14.348   0.538
  444    HB3  LYS  52           2HB      LYS  52 -11.454  14.020   1.285
  445    HG2  LYS  52           1HG      LYS  52 -10.316  15.043  -0.611
  446    HG3  LYS  52           2HG      LYS  52 -11.874  15.355  -1.380
  447    HD2  LYS  52           1HD      LYS  52 -12.510  16.808   0.466
  448    HD3  LYS  52           2HD      LYS  52 -10.983  16.466   1.281
  449    HE2  LYS  52           1HE      LYS  52 -10.874  18.608   0.146
  450    HE3  LYS  52           2HE      LYS  52  -9.767  17.458  -0.601
  451    HZ1  LYS  52           3HZ      LYS  52 -12.452  18.224  -1.627
  452    HZ2  LYS  52           1HZ      LYS  52 -11.426  17.075  -2.343
  453    HZ3  LYS  52           2HZ      LYS  52 -10.958  18.704  -2.272
  Start of MODEL   37
    1    H1   MET   1           1H       MET   1 -10.147  -5.194   3.124
    2    H2   MET   1           2H       MET   1  -9.998  -5.295   4.808
    3    H3   MET   1           3H       MET   1 -11.440  -4.733   4.112
    4    HA   MET   1           HA       MET   1 -11.662  -6.996   4.908
    5    HB2  MET   1           1HB      MET   1 -11.735  -6.613   1.912
    6    HB3  MET   1           2HB      MET   1 -12.412  -8.013   2.726
    7    HG2  MET   1           1HG      MET   1 -13.270  -5.189   3.285
    8    HG3  MET   1           2HG      MET   1 -14.039  -6.230   2.091
    9    HE1  MET   1           3HE      MET   1 -12.857  -6.344   5.906
   10    HE2  MET   1           1HE      MET   1 -14.454  -6.429   6.648
   11    HE3  MET   1           2HE      MET   1 -14.010  -5.028   5.676
   12    H    LYS   2           H        LYS   2 -11.263  -9.314   4.151
   13    HA   LYS   2           HA       LYS   2  -8.535  -9.992   4.291
   14    HB2  LYS   2           1HB      LYS   2  -9.400 -12.285   3.596
   15    HB3  LYS   2           2HB      LYS   2 -10.170 -11.594   5.022
   16    HG2  LYS   2           1HG      LYS   2 -12.073 -10.895   3.679
   17    HG3  LYS   2           2HG      LYS   2 -11.297 -11.530   2.228
   18    HD2  LYS   2           1HD      LYS   2 -11.399 -13.779   3.119
   19    HD3  LYS   2           2HD      LYS   2 -12.068 -13.175   4.638
   20    HE2  LYS   2           1HE      LYS   2 -14.052 -12.396   3.487
   21    HE3  LYS   2           2HE      LYS   2 -13.376 -12.891   1.936
   22    HZ1  LYS   2           3HZ      LYS   2 -15.001 -14.470   2.859
   23    HZ2  LYS   2           1HZ      LYS   2 -13.963 -14.755   4.169
   24    HZ3  LYS   2           2HZ      LYS   2 -13.486 -15.166   2.589
   25    H    GLN   3           H        GLN   3  -7.017  -9.872   2.762
   26    HA   GLN   3           HA       GLN   3  -7.306 -10.798   0.139
   27    HB2  GLN   3           1HB      GLN   3  -7.064  -8.610  -1.072
   28    HB3  GLN   3           2HB      GLN   3  -8.649  -8.901  -0.374
   29    HG2  GLN   3           1HG      GLN   3  -7.991  -7.491   1.551
   30    HG3  GLN   3           2HG      GLN   3  -6.489  -7.116   0.712
   31   HE21  GLN   3          1HE2      GLN   3  -9.606  -7.499  -0.853
   32   HE22  GLN   3          2HE2      GLN   3  -9.759  -5.843  -1.341
   33    H    TRP   4           H        TRP   4  -5.648  -8.232   1.944
   34    HA   TRP   4           HA       TRP   4  -3.123  -9.100   0.779
   35    HB2  TRP   4           1HB      TRP   4  -2.257  -7.026   2.056
   36    HB3  TRP   4           2HB      TRP   4  -3.219  -6.792   0.621
   37    HD1  TRP   4           HD1      TRP   4  -4.326  -4.529   1.053
   38    HE1  TRP   4           HE1      TRP   4  -5.815  -3.523   2.882
   39    HE3  TRP   4           HE3      TRP   4  -4.089  -8.310   4.422
   40    HZ2  TRP   4           HZ2      TRP   4  -6.776  -4.247   5.428
   41    HZ3  TRP   4           HZ3      TRP   4  -5.322  -8.093   6.542
   42    HH2  TRP   4           HH2      TRP   4  -6.639  -6.097   7.035
   43    H    SER   5           H        SER   5  -1.285  -8.570   2.603
   44    HA   SER   5           HA       SER   5  -1.953 -10.211   4.916
   45    HB2  SER   5           1HB      SER   5   0.134 -10.816   3.879
   46    HB3  SER   5           2HB      SER   5   0.680  -9.140   3.880
   47    HG   SER   5           HG       SER   5   1.173 -10.919   5.710
   48    H    GLU   6           H        GLU   6  -2.502  -9.278   6.779
   49    HA   GLU   6           HA       GLU   6  -2.940  -6.597   7.197
   50    HB2  GLU   6           1HB      GLU   6  -3.803  -8.382   8.654
   51    HB3  GLU   6           2HB      GLU   6  -2.184  -8.650   9.286
   52    HG2  GLU   6           1HG      GLU   6  -2.197  -6.307  10.123
   53    HG3  GLU   6           2HG      GLU   6  -3.885  -6.192   9.629
   54    H    ASN   7           H        ASN   7  -0.040  -8.456   7.992
   55    HA   ASN   7           HA       ASN   7   1.455  -6.439   9.218
   56    HB2  ASN   7           1HB      ASN   7   2.276  -8.814   7.570
   57    HB3  ASN   7           2HB      ASN   7   3.449  -7.764   8.357
   58   HD21  ASN   7          1HD2      ASN   7   4.243  -9.306   9.702
   59   HD22  ASN   7          2HD2      ASN   7   3.330  -9.991  11.013
   60    H    VAL   8           H        VAL   8   1.259  -7.387   5.823
   61    HA   VAL   8           HA       VAL   8   3.172  -5.605   4.821
   62    HB   VAL   8           HB       VAL   8   0.738  -6.732   3.435
   63   HG11  VAL   8          1HG1      VAL   8   1.462  -4.853   2.191
   64   HG12  VAL   8          2HG1      VAL   8   2.097  -6.282   1.377
   65   HG13  VAL   8          3HG1      VAL   8   3.157  -5.296   2.379
   66   HG21  VAL   8          3HG2      VAL   8   3.605  -7.664   3.477
   67   HG22  VAL   8          1HG2      VAL   8   2.306  -8.362   2.508
   68   HG23  VAL   8          2HG2      VAL   8   2.242  -8.457   4.268
   69    H    GLU   9           H        GLU   9  -0.362  -5.315   4.954
   70    HA   GLU   9           HA       GLU   9  -0.621  -2.784   3.834
   71    HB2  GLU   9           1HB      GLU   9  -2.499  -4.297   4.254
   72    HB3  GLU   9           2HB      GLU   9  -2.272  -4.123   5.989
   73    HG2  GLU   9           1HG      GLU   9  -2.802  -1.682   4.366
   74    HG3  GLU   9           2HG      GLU   9  -4.132  -2.788   4.693
   75    H    GLU  10           H        GLU  10  -0.054  -3.752   7.161
   76    HA   GLU  10           HA       GLU  10  -0.133  -1.215   8.350
   77    HB2  GLU  10           1HB      GLU  10  -0.244  -3.342   9.585
   78    HB3  GLU  10           2HB      GLU  10   1.431  -3.669   9.167
   79    HG2  GLU  10           1HG      GLU  10   2.107  -1.670  10.417
   80    HG3  GLU  10           2HG      GLU  10   0.423  -1.405  10.868
   81    H    LYS  11           H        LYS  11   2.626  -3.124   7.129
   82    HA   LYS  11           HA       LYS  11   4.513  -1.101   7.878
   83    HB2  LYS  11           1HB      LYS  11   4.851  -3.582   6.198
   84    HB3  LYS  11           2HB      LYS  11   6.167  -2.529   6.700
   85    HG2  LYS  11           1HG      LYS  11   5.372  -2.968   9.086
   86    HG3  LYS  11           2HG      LYS  11   4.428  -4.288   8.393
   87    HD2  LYS  11           1HD      LYS  11   6.521  -5.169   9.174
   88    HD3  LYS  11           2HD      LYS  11   6.524  -5.191   7.408
   89    HE2  LYS  11           1HE      LYS  11   8.664  -4.400   8.303
   90    HE3  LYS  11           2HE      LYS  11   7.849  -3.148   7.370
   91    HZ1  LYS  11           3HZ      LYS  11   7.153  -2.077   9.385
   92    HZ2  LYS  11           1HZ      LYS  11   8.830  -2.344   9.471
   93    HZ3  LYS  11           2HZ      LYS  11   7.764  -3.346  10.334
   94    H    LEU  12           H        LEU  12   2.713  -1.822   4.985
   95    HA   LEU  12           HA       LEU  12   4.222  -0.299   3.158
   96    HB2  LEU  12           1HB      LEU  12   2.361  -1.800   2.508
   97    HB3  LEU  12           2HB      LEU  12   1.223  -0.696   3.257
   98    HG   LEU  12           HG       LEU  12   1.904   1.049   1.615
   99   HD11  LEU  12          1HD1      LEU  12   3.175   0.375  -0.359
  100   HD12  LEU  12          2HD1      LEU  12   3.437  -1.216   0.353
  101   HD13  LEU  12          3HD1      LEU  12   4.136   0.214   1.110
  102   HD21  LEU  12          3HD2      LEU  12  -0.082  -0.298   1.245
  103   HD22  LEU  12          1HD2      LEU  12   0.890  -1.543   0.460
  104   HD23  LEU  12          2HD2      LEU  12   0.723   0.047  -0.286
  105    H    LYS  13           H        LYS  13   1.538   0.521   5.294
  106    HA   LYS  13           HA       LYS  13   1.356   3.256   4.890
  107    HB2  LYS  13           1HB      LYS  13  -0.236   2.097   6.255
  108    HB3  LYS  13           2HB      LYS  13   1.013   1.561   7.363
  109    HG2  LYS  13           1HG      LYS  13   1.365   3.998   7.942
  110    HG3  LYS  13           2HG      LYS  13  -0.119   4.323   7.042
  111    HD2  LYS  13           1HD      LYS  13  -0.575   4.067   9.437
  112    HD3  LYS  13           2HD      LYS  13  -1.352   2.793   8.497
  113    HE2  LYS  13           1HE      LYS  13   0.618   1.330   9.027
  114    HE3  LYS  13           2HE      LYS  13   1.176   2.587  10.133
  115    HZ1  LYS  13           3HZ      LYS  13  -0.959   2.362  11.324
  116    HZ2  LYS  13           1HZ      LYS  13  -0.036   0.941  11.349
  117    HZ3  LYS  13           2HZ      LYS  13  -1.369   1.059  10.312
  118    H    GLU  14           H        GLU  14   3.601   1.416   6.878
  119    HA   GLU  14           HA       GLU  14   4.809   3.658   8.124
  120    HB2  GLU  14           1HB      GLU  14   6.032   0.934   7.693
  121    HB3  GLU  14           2HB      GLU  14   6.463   2.108   8.929
  122    HG2  GLU  14           1HG      GLU  14   4.219   1.846   9.916
  123    HG3  GLU  14           2HG      GLU  14   3.863   0.606   8.715
  124    H    PHE  15           H        PHE  15   5.581   1.775   5.233
  125    HA   PHE  15           HA       PHE  15   8.106   3.102   4.909
  126    HB2  PHE  15           1HB      PHE  15   7.691   0.726   4.297
  127    HB3  PHE  15           2HB      PHE  15   6.612   1.269   3.025
  128    HD1  PHE  15           HD1      PHE  15   9.874   2.763   3.954
  129    HD2  PHE  15           HD2      PHE  15   7.704   0.422   1.139
  130    HE1  PHE  15           HE1      PHE  15  11.784   2.853   2.405
  131    HE2  PHE  15           HE2      PHE  15   9.609   0.504  -0.408
  132    HZ   PHE  15           HZ       PHE  15  11.655   1.724   0.223
  133    H    VAL  16           H        VAL  16   4.873   3.708   3.934
  134    HA   VAL  16           HA       VAL  16   5.724   5.589   1.872
  135    HB   VAL  16           HB       VAL  16   2.937   4.936   2.863
  136   HG11  VAL  16          1HG1      VAL  16   2.154   6.165   0.898
  137   HG12  VAL  16          2HG1      VAL  16   3.816   6.592   0.495
  138   HG13  VAL  16          3HG1      VAL  16   3.081   7.210   1.974
  139   HG21  VAL  16          3HG2      VAL  16   4.368   4.118   0.336
  140   HG22  VAL  16          1HG2      VAL  16   2.692   3.753   0.738
  141   HG23  VAL  16          2HG2      VAL  16   3.998   3.067   1.703
  142    H    LYS  17           H        LYS  17   3.821   5.712   4.907
  143    HA   LYS  17           HA       LYS  17   3.822   8.599   4.784
  144    HB2  LYS  17           1HB      LYS  17   1.838   7.216   5.482
  145    HB3  LYS  17           2HB      LYS  17   2.704   6.842   6.964
  146    HG2  LYS  17           1HG      LYS  17   1.138   8.617   7.369
  147    HG3  LYS  17           2HG      LYS  17   2.782   9.248   7.491
  148    HD2  LYS  17           1HD      LYS  17   2.632  10.256   5.326
  149    HD3  LYS  17           2HD      LYS  17   1.092   9.454   5.002
  150    HE2  LYS  17           1HE      LYS  17   1.606  11.541   7.116
  151    HE3  LYS  17           2HE      LYS  17   0.770  11.801   5.584
  152    HZ1  LYS  17           3HZ      LYS  17  -0.119  10.167   7.889
  153    HZ2  LYS  17           1HZ      LYS  17  -0.835  10.047   6.358
  154    HZ3  LYS  17           2HZ      LYS  17  -0.892  11.512   7.200
  155    H    ARG  18           H        ARG  18   5.389   6.094   6.702
  156    HA   ARG  18           HA       ARG  18   6.490   8.052   8.549
  157    HB2  ARG  18           1HB      ARG  18   6.826   5.058   8.353
  158    HB3  ARG  18           2HB      ARG  18   7.600   6.046   9.577
  159    HG2  ARG  18           1HG      ARG  18   5.434   6.711  10.450
  160    HG3  ARG  18           2HG      ARG  18   4.627   5.805   9.169
  161    HD2  ARG  18           1HD      ARG  18   4.593   4.512  11.208
  162    HD3  ARG  18           2HD      ARG  18   5.651   3.730  10.036
  163    HE   ARG  18           HE       ARG  18   7.115   5.468  11.745
  164   HH11  ARG  18          1HH1      ARG  18   5.584   2.320  11.668
  165   HH12  ARG  18          2HH1      ARG  18   6.634   1.638  12.866
  166   HH21  ARG  18          1HH2      ARG  18   8.484   4.576  13.347
  167   HH22  ARG  18          2HH2      ARG  18   8.252   2.920  13.842
  168    H    HIS  19           H        HIS  19   7.150   7.517   5.546
  169    HA   HIS  19           HA       HIS  19  10.027   8.009   5.878
  170    HB2  HIS  19           1HB      HIS  19   8.662   6.241   3.843
  171    HB3  HIS  19           2HB      HIS  19  10.257   6.925   3.555
  172    HD1  HIS  19           HD1      HIS  19   8.551   4.708   6.169
  173    HD2  HIS  19           HD2      HIS  19  12.264   5.396   4.434
  174    HE1  HIS  19           HE1      HIS  19  10.110   2.947   7.100
  175    H    GLN  20           H        GLN  20  10.631   8.740   3.295
  176    HA   GLN  20           HA       GLN  20   9.044  11.164   2.975
  177    HB2  GLN  20           1HB      GLN  20  11.597  10.205   1.685
  178    HB3  GLN  20           2HB      GLN  20  10.763  11.662   1.164
  179    HG2  GLN  20           1HG      GLN  20  10.977  12.527   3.496
  180    HG3  GLN  20           2HG      GLN  20  11.976  11.122   3.862
  181   HE21  GLN  20          1HE2      GLN  20  12.619  13.978   3.896
  182   HE22  GLN  20          2HE2      GLN  20  13.978  14.170   2.837
  183    H    ARG  21           H        ARG  21   7.710   8.784   2.463
  184    HA   ARG  21           HA       ARG  21   6.225   7.882   1.022
  185    HB2  ARG  21           1HB      ARG  21   7.051  10.121  -0.840
  186    HB3  ARG  21           2HB      ARG  21   5.667   9.066  -1.065
  187    HG2  ARG  21           1HG      ARG  21   4.544   9.996   0.803
  188    HG3  ARG  21           2HG      ARG  21   5.991  10.871   1.316
  189    HD2  ARG  21           1HD      ARG  21   4.404  11.340  -1.208
  190    HD3  ARG  21           2HD      ARG  21   4.462  12.394   0.205
  191    HE   ARG  21           HE       ARG  21   6.958  12.521  -0.346
  192   HH11  ARG  21          1HH1      ARG  21   4.401  12.256  -2.736
  193   HH12  ARG  21          2HH1      ARG  21   5.356  12.962  -4.004
  194   HH21  ARG  21          1HH2      ARG  21   8.216  13.415  -2.007
  195   HH22  ARG  21          2HH2      ARG  21   7.537  13.595  -3.607
  196    H    ILE  22           H        ILE  22   6.076   7.058  -1.358
  197    HA   ILE  22           HA       ILE  22   8.603   6.476  -2.613
  198    HB   ILE  22           HB       ILE  22   8.545   4.679  -0.991
  199   HG12  ILE  22          1HG1      ILE  22   7.726   3.688  -3.729
  200   HG13  ILE  22          2HG1      ILE  22   9.358   4.128  -3.235
  201   HG21  ILE  22          1HG2      ILE  22   6.172   4.701  -0.469
  202   HG22  ILE  22          2HG2      ILE  22   6.710   3.072  -0.871
  203   HG23  ILE  22          3HG2      ILE  22   5.803   4.016  -2.053
  204   HD11  ILE  22          3HD1      ILE  22   9.338   2.313  -1.602
  205   HD12  ILE  22          1HD1      ILE  22   9.075   1.729  -3.245
  206   HD13  ILE  22          2HD1      ILE  22   7.716   1.864  -2.129
  207    H    THR  23           H        THR  23   8.333   5.972  -4.792
  208    HA   THR  23           HA       THR  23   5.791   6.744  -5.882
  209    HB   THR  23           HB       THR  23   6.988   6.377  -8.085
  210    HG1  THR  23           HG1      THR  23   9.257   6.091  -7.926
  211   HG21  THR  23          3HG2      THR  23   8.287   8.215  -6.071
  212   HG22  THR  23          1HG2      THR  23   6.853   8.580  -7.029
  213   HG23  THR  23          2HG2      THR  23   8.412   8.359  -7.824
  214    H    GLN  24           H        GLN  24   4.724   5.504  -7.581
  215    HA   GLN  24           HA       GLN  24   3.930   2.984  -6.673
  216    HB2  GLN  24           1HB      GLN  24   2.561   4.468  -8.089
  217    HB3  GLN  24           2HB      GLN  24   3.630   4.150  -9.446
  218    HG2  GLN  24           1HG      GLN  24   3.004   1.787  -9.380
  219    HG3  GLN  24           2HG      GLN  24   1.917   2.121  -8.031
  220   HE21  GLN  24          1HE2      GLN  24   2.373   4.335 -10.683
  221   HE22  GLN  24          2HE2      GLN  24   0.805   4.131 -11.385
  222    H    GLU  25           H        GLU  25   6.504   3.903  -8.794
  223    HA   GLU  25           HA       GLU  25   7.080   1.657 -10.256
  224    HB2  GLU  25           1HB      GLU  25   8.346   3.823 -10.238
  225    HB3  GLU  25           2HB      GLU  25   9.105   3.309  -8.738
  226    HG2  GLU  25           1HG      GLU  25  10.653   2.844 -10.435
  227    HG3  GLU  25           2HG      GLU  25   9.937   1.291 -10.001
  228    H    GLU  26           H        GLU  26   8.671   2.348  -7.156
  229    HA   GLU  26           HA       GLU  26   9.440  -0.402  -6.847
  230    HB2  GLU  26           1HB      GLU  26  10.858   1.542  -6.152
  231    HB3  GLU  26           2HB      GLU  26   9.696   1.878  -4.878
  232    HG2  GLU  26           1HG      GLU  26  11.501   0.714  -3.894
  233    HG3  GLU  26           2HG      GLU  26  10.144  -0.408  -3.975
  234    H    LEU  27           H        LEU  27   6.910   1.693  -5.675
  235    HA   LEU  27           HA       LEU  27   6.170   0.264  -3.379
  236    HB2  LEU  27           1HB      LEU  27   5.415   2.574  -4.066
  237    HB3  LEU  27           2HB      LEU  27   4.322   1.811  -5.200
  238    HG   LEU  27           HG       LEU  27   4.152   1.138  -2.275
  239   HD11  LEU  27          1HD1      LEU  27   4.111   3.558  -2.363
  240   HD12  LEU  27          2HD1      LEU  27   2.492   2.938  -2.039
  241   HD13  LEU  27          3HD1      LEU  27   2.909   3.515  -3.652
  242   HD21  LEU  27          3HD2      LEU  27   1.811   0.725  -2.831
  243   HD22  LEU  27          1HD2      LEU  27   2.867  -0.207  -3.895
  244   HD23  LEU  27          2HD2      LEU  27   2.095   1.264  -4.487
  245    H    HIS  28           H        HIS  28   5.143  -0.066  -6.770
  246    HA   HIS  28           HA       HIS  28   3.220  -2.085  -6.209
  247    HB2  HIS  28           1HB      HIS  28   3.253  -0.666  -8.297
  248    HB3  HIS  28           2HB      HIS  28   4.617  -1.636  -8.851
  249    HD1  HIS  28           HD1      HIS  28   4.067  -4.312  -9.052
  250    HD2  HIS  28           HD2      HIS  28   0.825  -1.711  -8.859
  251    HE1  HIS  28           HE1      HIS  28   2.046  -5.651  -9.711
  252    H    GLN  29           H        GLN  29   6.616  -2.155  -7.267
  253    HA   GLN  29           HA       GLN  29   6.849  -4.938  -7.549
  254    HB2  GLN  29           1HB      GLN  29   8.561  -3.161  -8.194
  255    HB3  GLN  29           2HB      GLN  29   9.009  -3.112  -6.497
  256    HG2  GLN  29           1HG      GLN  29   9.047  -5.690  -8.004
  257    HG3  GLN  29           2HG      GLN  29  10.386  -4.554  -8.130
  258   HE21  GLN  29          1HE2      GLN  29  10.275  -3.626  -5.426
  259   HE22  GLN  29          2HE2      GLN  29  10.836  -4.924  -4.426
  260    H    TYR  30           H        TYR  30   7.139  -2.811  -4.772
  261    HA   TYR  30           HA       TYR  30   7.891  -4.802  -2.890
  262    HB2  TYR  30           1HB      TYR  30   8.211  -2.267  -2.770
  263    HB3  TYR  30           2HB      TYR  30   6.522  -2.182  -2.292
  264    HD1  TYR  30           HD1      TYR  30   9.590  -4.096  -1.318
  265    HD2  TYR  30           HD2      TYR  30   6.117  -1.993  -0.038
  266    HE1  TYR  30           HE1      TYR  30  10.264  -4.420   1.026
  267    HE2  TYR  30           HE2      TYR  30   6.782  -2.312   2.307
  268    HH   TYR  30           HH       TYR  30   9.871  -3.350   3.224
  269    H    ALA  31           H        ALA  31   4.920  -3.988  -4.369
  270    HA   ALA  31           HA       ALA  31   3.201  -4.739  -2.191
  271    HB1  ALA  31           3HB      ALA  31   2.616  -4.295  -5.120
  272    HB2  ALA  31           1HB      ALA  31   2.431  -3.117  -3.821
  273    HB3  ALA  31           2HB      ALA  31   1.398  -4.546  -3.869
  274    H    GLN  32           H        GLN  32   3.845  -6.145  -5.402
  275    HA   GLN  32           HA       GLN  32   2.607  -8.632  -4.742
  276    HB2  GLN  32           1HB      GLN  32   4.071  -7.533  -7.045
  277    HB3  GLN  32           2HB      GLN  32   4.170  -9.272  -6.841
  278    HG2  GLN  32           1HG      GLN  32   2.371  -8.841  -8.311
  279    HG3  GLN  32           2HG      GLN  32   1.685  -9.346  -6.773
  280   HE21  GLN  32          1HE2      GLN  32   0.482  -7.846  -8.960
  281   HE22  GLN  32          2HE2      GLN  32  -0.053  -6.352  -8.274
  282    H    ARG  33           H        ARG  33   5.606  -7.260  -4.120
  283    HA   ARG  33           HA       ARG  33   7.235  -9.536  -3.787
  284    HB2  ARG  33           1HB      ARG  33   7.974  -7.128  -3.849
  285    HB3  ARG  33           2HB      ARG  33   7.306  -6.940  -2.236
  286    HG2  ARG  33           1HG      ARG  33   9.558  -7.244  -1.846
  287    HG3  ARG  33           2HG      ARG  33   8.893  -8.858  -1.590
  288    HD2  ARG  33           1HD      ARG  33   9.652  -9.602  -3.709
  289    HD3  ARG  33           2HD      ARG  33  10.040  -7.958  -4.219
  290    HE   ARG  33           HE       ARG  33  11.479  -8.967  -1.894
  291   HH11  ARG  33          1HH1      ARG  33  11.460  -8.308  -5.330
  292   HH12  ARG  33          2HH1      ARG  33  13.185  -8.427  -5.504
  293   HH21  ARG  33          1HH2      ARG  33  13.762  -9.087  -2.095
  294   HH22  ARG  33          2HH2      ARG  33  14.499  -8.859  -3.657
  295    H    LEU  34           H        LEU  34   5.132  -7.742  -1.556
  296    HA   LEU  34           HA       LEU  34   5.811  -9.586   0.592
  297    HB2  LEU  34           1HB      LEU  34   4.285  -7.002   0.535
  298    HB3  LEU  34           2HB      LEU  34   4.474  -7.978   1.977
  299    HG   LEU  34           HG       LEU  34   6.692  -6.649   0.424
  300   HD11  LEU  34          1HD1      LEU  34   5.318  -5.099   1.713
  301   HD12  LEU  34          2HD1      LEU  34   6.923  -5.268   2.426
  302   HD13  LEU  34          3HD1      LEU  34   5.543  -6.090   3.155
  303   HD21  LEU  34          3HD2      LEU  34   6.813  -8.260   2.976
  304   HD22  LEU  34          1HD2      LEU  34   8.162  -7.420   2.208
  305   HD23  LEU  34          2HD2      LEU  34   7.400  -8.791   1.400
  306    H    GLY  35           H        GLY  35   3.226  -9.048  -1.631
  307    HA2  GLY  35           1HA      GLY  35   1.735 -11.045  -1.757
  308    HA3  GLY  35           2HA      GLY  35   1.579 -10.903  -0.012
  309    H    LEU  36           H        LEU  36   1.464  -8.253  -2.378
  310    HA   LEU  36           HA       LEU  36  -1.300  -7.768  -1.520
  311    HB2  LEU  36           1HB      LEU  36   0.554  -5.945  -3.059
  312    HB3  LEU  36           2HB      LEU  36  -1.065  -5.548  -2.514
  313    HG   LEU  36           HG       LEU  36   1.331  -6.066  -0.763
  314   HD11  LEU  36          1HD1      LEU  36   1.038  -3.734  -0.111
  315   HD12  LEU  36          2HD1      LEU  36  -0.307  -3.584  -1.244
  316   HD13  LEU  36          3HD1      LEU  36   1.326  -3.879  -1.844
  317   HD21  LEU  36          3HD2      LEU  36  -0.152  -5.507   1.106
  318   HD22  LEU  36          1HD2      LEU  36  -0.687  -6.964   0.267
  319   HD23  LEU  36          2HD2      LEU  36  -1.517  -5.433  -0.008
  320    H    ASN  37           H        ASN  37  -2.951  -8.041  -2.850
  321    HA   ASN  37           HA       ASN  37  -2.446  -8.485  -5.686
  322    HB2  ASN  37           1HB      ASN  37  -4.958  -8.905  -5.757
  323    HB3  ASN  37           2HB      ASN  37  -4.001 -10.069  -4.858
  324   HD21  ASN  37          1HD2      ASN  37  -4.691  -6.936  -3.490
  325   HD22  ASN  37          2HD2      ASN  37  -5.838  -7.492  -2.316
  326    H    GLU  38           H        GLU  38  -3.764  -7.256  -7.262
  327    HA   GLU  38           HA       GLU  38  -3.231  -4.546  -6.995
  328    HB2  GLU  38           1HB      GLU  38  -5.272  -5.782  -8.845
  329    HB3  GLU  38           2HB      GLU  38  -4.487  -4.222  -9.048
  330    HG2  GLU  38           1HG      GLU  38  -3.212  -5.466 -10.451
  331    HG3  GLU  38           2HG      GLU  38  -2.304  -5.699  -8.959
  332    H    GLU  39           H        GLU  39  -6.147  -6.309  -6.183
  333    HA   GLU  39           HA       GLU  39  -7.954  -4.223  -5.850
  334    HB2  GLU  39           1HB      GLU  39  -8.559  -6.579  -5.660
  335    HB3  GLU  39           2HB      GLU  39  -7.601  -6.726  -4.194
  336    HG2  GLU  39           1HG      GLU  39  -9.901  -6.599  -3.592
  337    HG3  GLU  39           2HG      GLU  39  -9.109  -5.103  -3.100
  338    H    ALA  40           H        ALA  40  -5.613  -5.532  -3.532
  339    HA   ALA  40           HA       ALA  40  -6.247  -3.772  -1.409
  340    HB1  ALA  40           3HB      ALA  40  -4.209  -4.555  -0.354
  341    HB2  ALA  40           1HB      ALA  40  -3.650  -5.238  -1.885
  342    HB3  ALA  40           2HB      ALA  40  -5.068  -5.911  -1.083
  343    H    ILE  41           H        ILE  41  -3.999  -3.627  -4.078
  344    HA   ILE  41           HA       ILE  41  -2.548  -1.342  -3.240
  345    HB   ILE  41           HB       ILE  41  -3.066  -2.267  -6.073
  346   HG12  ILE  41          1HG1      ILE  41  -0.835  -3.032  -4.174
  347   HG13  ILE  41          2HG1      ILE  41  -2.158  -4.080  -4.678
  348   HG21  ILE  41          1HG2      ILE  41  -2.155  -0.016  -5.936
  349   HG22  ILE  41          2HG2      ILE  41  -0.959  -1.138  -6.588
  350   HG23  ILE  41          3HG2      ILE  41  -0.842  -0.597  -4.911
  351   HD11  ILE  41          3HD1      ILE  41  -1.355  -3.996  -6.971
  352   HD12  ILE  41          1HD1      ILE  41  -0.108  -4.587  -5.872
  353   HD13  ILE  41          2HD1      ILE  41  -0.038  -2.931  -6.476
  354    H    ARG  42           H        ARG  42  -5.316  -1.782  -5.411
  355    HA   ARG  42           HA       ARG  42  -5.818   0.872  -6.074
  356    HB2  ARG  42           1HB      ARG  42  -6.992  -0.873  -7.215
  357    HB3  ARG  42           2HB      ARG  42  -7.676  -1.482  -5.715
  358    HG2  ARG  42           1HG      ARG  42  -8.908   0.689  -5.518
  359    HG3  ARG  42           2HG      ARG  42  -8.352   1.060  -7.150
  360    HD2  ARG  42           1HD      ARG  42  -9.493  -0.848  -8.041
  361    HD3  ARG  42           2HD      ARG  42  -9.907  -1.413  -6.423
  362    HE   ARG  42           HE       ARG  42 -11.038   1.044  -6.513
  363   HH11  ARG  42          1HH1      ARG  42 -11.224  -1.783  -8.575
  364   HH12  ARG  42          2HH1      ARG  42 -12.823  -1.416  -9.150
  365   HH21  ARG  42          1HH2      ARG  42 -13.132   1.518  -7.247
  366   HH22  ARG  42          2HH2      ARG  42 -13.908   0.479  -8.408
  367    H    GLN  43           H        GLN  43  -7.145  -1.052  -3.409
  368    HA   GLN  43           HA       GLN  43  -8.851   0.806  -2.285
  369    HB2  GLN  43           1HB      GLN  43  -8.702  -1.574  -1.641
  370    HB3  GLN  43           2HB      GLN  43  -7.174  -1.250  -0.835
  371    HG2  GLN  43           1HG      GLN  43  -8.391   0.349   0.653
  372    HG3  GLN  43           2HG      GLN  43  -9.894  -0.217  -0.076
  373   HE21  GLN  43          1HE2      GLN  43  -7.136  -2.263   0.504
  374   HE22  GLN  43          2HE2      GLN  43  -7.859  -3.222   1.743
  375    H    PHE  44           H        PHE  44  -5.369   0.484  -1.866
  376    HA   PHE  44           HA       PHE  44  -5.220   2.147   0.441
  377    HB2  PHE  44           1HB      PHE  44  -3.586   0.306  -0.451
  378    HB3  PHE  44           2HB      PHE  44  -2.881   1.635  -1.362
  379    HD1  PHE  44           HD1      PHE  44  -3.512   0.285   1.988
  380    HD2  PHE  44           HD2      PHE  44  -1.589   3.342  -0.265
  381    HE1  PHE  44           HE1      PHE  44  -2.201   0.917   3.970
  382    HE2  PHE  44           HE2      PHE  44  -0.276   3.981   1.719
  383    HZ   PHE  44           HZ       PHE  44  -0.586   2.764   3.838
  384    H    PHE  45           H        PHE  45  -4.890   2.709  -3.023
  385    HA   PHE  45           HA       PHE  45  -4.031   5.458  -2.579
  386    HB2  PHE  45           1HB      PHE  45  -4.467   3.838  -5.085
  387    HB3  PHE  45           2HB      PHE  45  -4.112   5.559  -5.123
  388    HD1  PHE  45           HD1      PHE  45  -1.983   6.194  -3.584
  389    HD2  PHE  45           HD2      PHE  45  -2.705   2.419  -5.417
  390    HE1  PHE  45           HE1      PHE  45   0.430   5.706  -3.523
  391    HE2  PHE  45           HE2      PHE  45  -0.292   1.932  -5.362
  392    HZ   PHE  45           HZ       PHE  45   1.278   3.571  -4.418
  393    H    GLU  46           H        GLU  46  -6.808   3.703  -3.822
  394    HA   GLU  46           HA       GLU  46  -8.200   6.001  -4.732
  395    HB2  GLU  46           1HB      GLU  46  -8.786   4.026  -5.813
  396    HB3  GLU  46           2HB      GLU  46  -8.918   3.128  -4.309
  397    HG2  GLU  46           1HG      GLU  46 -10.982   4.137  -3.771
  398    HG3  GLU  46           2HG      GLU  46 -10.809   5.328  -5.068
  399    H    GLU  47           H        GLU  47  -9.085   3.779  -2.075
  400    HA   GLU  47           HA       GLU  47 -10.822   5.890  -1.063
  401    HB2  GLU  47           1HB      GLU  47 -10.732   2.921  -0.719
  402    HB3  GLU  47           2HB      GLU  47 -11.598   3.905   0.458
  403    HG2  GLU  47           1HG      GLU  47 -12.893   4.872  -1.447
  404    HG3  GLU  47           2HG      GLU  47 -12.113   3.698  -2.501
  405    H    PHE  48           H        PHE  48  -8.147   6.310  -0.729
  406    HA   PHE  48           HA       PHE  48  -7.395   5.829   2.002
  407    HB2  PHE  48           1HB      PHE  48  -5.902   6.340  -0.094
  408    HB3  PHE  48           2HB      PHE  48  -6.282   8.019   0.244
  409    HD1  PHE  48           HD1      PHE  48  -5.434   5.156   2.503
  410    HD2  PHE  48           HD2      PHE  48  -4.387   9.029   1.061
  411    HE1  PHE  48           HE1      PHE  48  -3.577   5.251   4.109
  412    HE2  PHE  48           HE2      PHE  48  -2.529   9.123   2.666
  413    HZ   PHE  48           HZ       PHE  48  -2.119   7.234   4.192
  414    H    GLU  49           H        GLU  49  -6.631   8.917   2.007
  415    HA   GLU  49           HA       GLU  49  -8.993   9.840   3.328
  416    HB2  GLU  49           1HB      GLU  49  -7.792  11.895   3.681
  417    HB3  GLU  49           2HB      GLU  49  -6.693  10.550   3.959
  418    HG2  GLU  49           1HG      GLU  49  -5.635  10.884   1.844
  419    HG3  GLU  49           2HG      GLU  49  -6.832  12.096   1.385
  420    H    GLN  50           H        GLN  50  -8.295   9.422   0.162
  421    HA   GLN  50           HA       GLN  50  -9.406  11.893  -0.875
  422    HB2  GLN  50           1HB      GLN  50  -8.515   9.390  -2.323
  423    HB3  GLN  50           2HB      GLN  50  -8.935  10.921  -3.076
  424    HG2  GLN  50           1HG      GLN  50  -7.053  11.980  -1.861
  425    HG3  GLN  50           2HG      GLN  50  -6.601  10.389  -1.253
  426   HE21  GLN  50          1HE2      GLN  50  -7.364   9.070  -3.760
  427   HE22  GLN  50          2HE2      GLN  50  -6.113   9.444  -4.890
  428    H    ARG  51           H        ARG  51 -11.148  10.333   0.748
  429    HA   ARG  51           HA       ARG  51 -13.045   9.177  -1.165
  430    HB2  ARG  51           1HB      ARG  51 -13.121   9.167   1.859
  431    HB3  ARG  51           2HB      ARG  51 -14.221   8.306   0.795
  432    HG2  ARG  51           1HG      ARG  51 -12.538   6.810   0.171
  433    HG3  ARG  51           2HG      ARG  51 -11.278   7.827   0.887
  434    HD2  ARG  51           1HD      ARG  51 -13.243   6.040   2.200
  435    HD3  ARG  51           2HD      ARG  51 -11.559   6.359   2.571
  436    HE   ARG  51           HE       ARG  51 -12.920   8.694   3.130
  437   HH11  ARG  51          1HH1      ARG  51 -12.907   5.389   4.302
  438   HH12  ARG  51          2HH1      ARG  51 -13.347   5.838   5.926
  439   HH21  ARG  51          1HH2      ARG  51 -13.507   9.282   5.224
  440   HH22  ARG  51          2HH2      ARG  51 -13.707   8.062   6.442
  441    H    LYS  52           H        LYS  52 -15.410   9.585  -0.126
  442    HA   LYS  52           HA       LYS  52 -16.188  12.208  -0.554
  443    HB2  LYS  52           1HB      LYS  52 -18.213  11.450   0.921
  444    HB3  LYS  52           2HB      LYS  52 -17.933  10.690  -0.640
  445    HG2  LYS  52           1HG      LYS  52 -16.917   8.781   0.404
  446    HG3  LYS  52           2HG      LYS  52 -16.994   9.558   1.986
  447    HD2  LYS  52           1HD      LYS  52 -19.368   9.422   2.026
  448    HD3  LYS  52           2HD      LYS  52 -19.434   8.957   0.324
  449    HE2  LYS  52           1HE      LYS  52 -18.388   6.841   0.813
  450    HE3  LYS  52           2HE      LYS  52 -18.141   7.311   2.494
  451    HZ1  LYS  52           3HZ      LYS  52 -20.068   5.814   2.102
  452    HZ2  LYS  52           1HZ      LYS  52 -20.815   7.065   1.238
  453    HZ3  LYS  52           2HZ      LYS  52 -20.464   7.264   2.888
  Start of MODEL   38
    1    H1   MET   1           1H       MET   1 -12.967  -7.510   7.399
    2    H2   MET   1           2H       MET   1 -14.470  -7.628   6.629
    3    H3   MET   1           3H       MET   1 -13.344  -6.471   6.114
    4    HA   MET   1           HA       MET   1 -13.077  -9.409   5.923
    5    HB2  MET   1           1HB      MET   1 -14.634  -8.456   4.281
    6    HB3  MET   1           2HB      MET   1 -13.432  -7.263   3.810
    7    HG2  MET   1           1HG      MET   1 -13.605  -9.086   2.195
    8    HG3  MET   1           2HG      MET   1 -12.003  -8.990   2.922
    9    HE1  MET   1           3HE      MET   1 -12.462 -12.834   2.297
   10    HE2  MET   1           1HE      MET   1 -11.407 -11.441   2.051
   11    HE3  MET   1           2HE      MET   1 -12.992 -11.496   1.279
   12    H    LYS   2           H        LYS   2 -11.083 -10.145   4.982
   13    HA   LYS   2           HA       LYS   2  -8.867  -8.269   5.345
   14    HB2  LYS   2           1HB      LYS   2  -8.778 -10.495   6.472
   15    HB3  LYS   2           2HB      LYS   2  -8.806 -11.257   4.888
   16    HG2  LYS   2           1HG      LYS   2  -6.696 -10.123   4.329
   17    HG3  LYS   2           2HG      LYS   2  -6.655  -9.451   5.960
   18    HD2  LYS   2           1HD      LYS   2  -5.247 -11.421   5.833
   19    HD3  LYS   2           2HD      LYS   2  -6.634 -11.731   6.880
   20    HE2  LYS   2           1HE      LYS   2  -7.762 -12.891   5.045
   21    HE3  LYS   2           2HE      LYS   2  -6.385 -12.570   3.991
   22    HZ1  LYS   2           3HZ      LYS   2  -6.306 -14.194   6.477
   23    HZ2  LYS   2           1HZ      LYS   2  -4.998 -13.898   5.441
   24    HZ3  LYS   2           2HZ      LYS   2  -6.319 -14.812   4.900
   25    H    GLN   3           H        GLN   3  -7.393  -7.853   3.707
   26    HA   GLN   3           HA       GLN   3  -8.174  -8.811   1.020
   27    HB2  GLN   3           1HB      GLN   3  -7.004  -6.093   1.646
   28    HB3  GLN   3           2HB      GLN   3  -7.561  -6.672   0.084
   29    HG2  GLN   3           1HG      GLN   3  -9.835  -6.654   0.812
   30    HG3  GLN   3           2HG      GLN   3  -9.352  -6.281   2.468
   31   HE21  GLN   3          1HE2      GLN   3 -11.132  -4.799   0.731
   32   HE22  GLN   3          2HE2      GLN   3 -10.430  -3.225   0.546
   33    H    TRP   4           H        TRP   4  -5.555  -6.778   2.141
   34    HA   TRP   4           HA       TRP   4  -3.599  -8.626   1.060
   35    HB2  TRP   4           1HB      TRP   4  -1.964  -6.777   1.803
   36    HB3  TRP   4           2HB      TRP   4  -3.025  -6.446   0.446
   37    HD1  TRP   4           HD1      TRP   4  -5.341  -5.883   3.102
   38    HE1  TRP   4           HE1      TRP   4  -5.415  -3.433   3.846
   39    HE3  TRP   4           HE3      TRP   4  -0.903  -4.311   1.123
   40    HZ2  TRP   4           HZ2      TRP   4  -3.800  -1.138   3.640
   41    HZ3  TRP   4           HZ3      TRP   4  -0.246  -1.971   1.448
   42    HH2  TRP   4           HH2      TRP   4  -1.658  -0.417   2.682
   43    H    SER   5           H        SER   5  -1.813  -9.378   2.302
   44    HA   SER   5           HA       SER   5  -2.433 -10.570   4.691
   45    HB2  SER   5           1HB      SER   5  -0.503 -11.230   3.342
   46    HB3  SER   5           2HB      SER   5   0.300  -9.712   3.734
   47    HG   SER   5           HG       SER   5   0.286 -11.996   5.116
   48    H    GLU   6           H        GLU   6  -2.520  -9.967   6.748
   49    HA   GLU   6           HA       GLU   6  -2.825  -7.406   7.621
   50    HB2  GLU   6           1HB      GLU   6  -3.406  -9.495   8.850
   51    HB3  GLU   6           2HB      GLU   6  -1.709  -9.680   9.267
   52    HG2  GLU   6           1HG      GLU   6  -1.792  -7.545  10.473
   53    HG3  GLU   6           2HG      GLU   6  -3.510  -7.417  10.092
   54    H    ASN   7           H        ASN   7   0.194  -9.255   7.551
   55    HA   ASN   7           HA       ASN   7   1.764  -7.322   8.906
   56    HB2  ASN   7           1HB      ASN   7   2.362  -9.737   8.628
   57    HB3  ASN   7           2HB      ASN   7   2.709  -9.401   6.933
   58   HD21  ASN   7          1HD2      ASN   7   4.849  -9.901   7.060
   59   HD22  ASN   7          2HD2      ASN   7   6.002  -8.932   7.924
   60    H    VAL   8           H        VAL   8   0.930  -7.822   5.540
   61    HA   VAL   8           HA       VAL   8   2.817  -5.993   4.428
   62    HB   VAL   8           HB       VAL   8   0.169  -6.878   3.263
   63   HG11  VAL   8          1HG1      VAL   8   2.633  -5.716   1.987
   64   HG12  VAL   8          2HG1      VAL   8   1.036  -4.975   2.090
   65   HG13  VAL   8          3HG1      VAL   8   1.284  -6.417   1.101
   66   HG21  VAL   8          3HG2      VAL   8   1.529  -8.807   3.829
   67   HG22  VAL   8          1HG2      VAL   8   2.900  -8.114   2.962
   68   HG23  VAL   8          2HG2      VAL   8   1.449  -8.594   2.080
   69    H    GLU   9           H        GLU   9  -0.523  -5.796   5.478
   70    HA   GLU   9           HA       GLU   9  -1.236  -3.248   4.666
   71    HB2  GLU   9           1HB      GLU   9  -2.554  -5.150   5.871
   72    HB3  GLU   9           2HB      GLU   9  -2.023  -4.371   7.351
   73    HG2  GLU   9           1HG      GLU   9  -3.472  -2.839   5.231
   74    HG3  GLU   9           2HG      GLU   9  -4.346  -3.834   6.388
   75    H    GLU  10           H        GLU  10   0.691  -4.294   7.391
   76    HA   GLU  10           HA       GLU  10   0.862  -1.805   8.740
   77    HB2  GLU  10           1HB      GLU  10   1.266  -3.899   9.882
   78    HB3  GLU  10           2HB      GLU  10   2.606  -4.270   8.808
   79    HG2  GLU  10           1HG      GLU  10   3.770  -2.249   9.706
   80    HG3  GLU  10           2HG      GLU  10   2.475  -2.116  10.898
   81    H    LYS  11           H        LYS  11   3.162  -3.510   6.600
   82    HA   LYS  11           HA       LYS  11   5.162  -1.498   6.864
   83    HB2  LYS  11           1HB      LYS  11   4.954  -4.098   5.727
   84    HB3  LYS  11           2HB      LYS  11   5.643  -3.012   4.527
   85    HG2  LYS  11           1HG      LYS  11   7.446  -3.946   5.727
   86    HG3  LYS  11           2HG      LYS  11   7.289  -2.282   6.267
   87    HD2  LYS  11           1HD      LYS  11   7.716  -3.790   8.144
   88    HD3  LYS  11           2HD      LYS  11   6.130  -3.039   8.288
   89    HE2  LYS  11           1HE      LYS  11   5.069  -5.051   7.467
   90    HE3  LYS  11           2HE      LYS  11   6.641  -5.801   7.197
   91    HZ1  LYS  11           3HZ      LYS  11   7.059  -5.785   9.543
   92    HZ2  LYS  11           1HZ      LYS  11   5.563  -6.530   9.261
   93    HZ3  LYS  11           2HZ      LYS  11   5.619  -4.940   9.857
   94    H    LEU  12           H        LEU  12   2.810  -2.248   4.316
   95    HA   LEU  12           HA       LEU  12   3.700  -0.276   2.493
   96    HB2  LEU  12           1HB      LEU  12   1.229  -1.870   2.855
   97    HB3  LEU  12           2HB      LEU  12   1.109  -0.429   1.868
   98    HG   LEU  12           HG       LEU  12   1.513  -2.518   0.580
   99   HD11  LEU  12          1HD1      LEU  12   3.646  -0.410   0.433
  100   HD12  LEU  12          2HD1      LEU  12   2.079  -0.385  -0.379
  101   HD13  LEU  12          3HD1      LEU  12   3.289  -1.589  -0.830
  102   HD21  LEU  12          3HD2      LEU  12   3.604  -3.616   0.626
  103   HD22  LEU  12          1HD2      LEU  12   3.045  -3.514   2.296
  104   HD23  LEU  12          2HD2      LEU  12   4.288  -2.409   1.715
  105    H    LYS  13           H        LYS  13   1.523  -0.214   5.219
  106    HA   LYS  13           HA       LYS  13   0.355   2.268   4.984
  107    HB2  LYS  13           1HB      LYS  13  -0.319   0.853   6.774
  108    HB3  LYS  13           2HB      LYS  13   1.327   0.745   7.388
  109    HG2  LYS  13           1HG      LYS  13   1.039   3.343   7.664
  110    HG3  LYS  13           2HG      LYS  13  -0.675   2.916   7.693
  111    HD2  LYS  13           1HD      LYS  13  -0.280   1.362   9.519
  112    HD3  LYS  13           2HD      LYS  13   1.450   1.720   9.471
  113    HE2  LYS  13           1HE      LYS  13   0.490   2.984  11.263
  114    HE3  LYS  13           2HE      LYS  13   0.892   4.110   9.963
  115    HZ1  LYS  13           3HZ      LYS  13  -1.797   3.031  10.641
  116    HZ2  LYS  13           1HZ      LYS  13  -1.477   3.949   9.253
  117    HZ3  LYS  13           2HZ      LYS  13  -1.277   4.638  10.786
  118    H    GLU  14           H        GLU  14   3.514   1.406   6.261
  119    HA   GLU  14           HA       GLU  14   4.088   3.947   7.314
  120    HB2  GLU  14           1HB      GLU  14   5.981   1.730   6.543
  121    HB3  GLU  14           2HB      GLU  14   6.370   3.102   7.579
  122    HG2  GLU  14           1HG      GLU  14   4.486   2.346   9.078
  123    HG3  GLU  14           2HG      GLU  14   4.438   0.866   8.119
  124    H    PHE  15           H        PHE  15   5.097   2.447   4.228
  125    HA   PHE  15           HA       PHE  15   6.751   4.618   3.455
  126    HB2  PHE  15           1HB      PHE  15   5.326   2.528   1.804
  127    HB3  PHE  15           2HB      PHE  15   6.440   3.707   1.126
  128    HD1  PHE  15           HD1      PHE  15   7.991   3.243   4.048
  129    HD2  PHE  15           HD2      PHE  15   6.944   0.968   0.598
  130    HE1  PHE  15           HE1      PHE  15   9.885   1.734   4.476
  131    HE2  PHE  15           HE2      PHE  15   8.834  -0.548   1.030
  132    HZ   PHE  15           HZ       PHE  15  10.309  -0.164   2.965
  133    H    VAL  16           H        VAL  16   3.305   4.049   3.046
  134    HA   VAL  16           HA       VAL  16   3.167   6.286   1.190
  135    HB   VAL  16           HB       VAL  16   0.857   4.581   2.111
  136   HG11  VAL  16          1HG1      VAL  16   1.309   6.241  -0.364
  137   HG12  VAL  16          2HG1      VAL  16   0.274   6.674   0.995
  138   HG13  VAL  16          3HG1      VAL  16  -0.128   5.283  -0.014
  139   HG21  VAL  16          3HG2      VAL  16   1.228   3.235   0.089
  140   HG22  VAL  16          1HG2      VAL  16   2.584   3.116   1.209
  141   HG23  VAL  16          2HG2      VAL  16   2.714   4.131  -0.228
  142    H    LYS  17           H        LYS  17   2.102   5.478   4.479
  143    HA   LYS  17           HA       LYS  17   0.617   7.977   4.604
  144    HB2  LYS  17           1HB      LYS  17  -0.589   6.204   5.569
  145    HB3  LYS  17           2HB      LYS  17   0.806   5.638   6.476
  146    HG2  LYS  17           1HG      LYS  17  -0.146   6.686   8.200
  147    HG3  LYS  17           2HG      LYS  17   0.510   8.148   7.475
  148    HD2  LYS  17           1HD      LYS  17  -2.247   7.069   6.915
  149    HD3  LYS  17           2HD      LYS  17  -1.899   8.288   8.135
  150    HE2  LYS  17           1HE      LYS  17  -1.552   8.528   5.151
  151    HE3  LYS  17           2HE      LYS  17  -2.709   9.376   6.164
  152    HZ1  LYS  17           3HZ      LYS  17  -0.896  10.826   5.597
  153    HZ2  LYS  17           1HZ      LYS  17   0.244   9.735   6.220
  154    HZ3  LYS  17           2HZ      LYS  17  -0.850  10.503   7.260
  155    H    ARG  18           H        ARG  18   3.317   6.471   6.442
  156    HA   ARG  18           HA       ARG  18   3.547   8.988   7.897
  157    HB2  ARG  18           1HB      ARG  18   5.033   7.850   9.414
  158    HB3  ARG  18           2HB      ARG  18   3.587   6.882   9.176
  159    HG2  ARG  18           1HG      ARG  18   4.815   5.428   7.633
  160    HG3  ARG  18           2HG      ARG  18   6.255   6.414   7.878
  161    HD2  ARG  18           1HD      ARG  18   4.790   4.938  10.064
  162    HD3  ARG  18           2HD      ARG  18   6.253   4.362   9.260
  163    HE   ARG  18           HE       ARG  18   6.382   6.983  10.527
  164   HH11  ARG  18          1HH1      ARG  18   7.149   3.559  10.719
  165   HH12  ARG  18          2HH1      ARG  18   8.380   3.785  11.928
  166   HH21  ARG  18          1HH2      ARG  18   7.989   7.262  12.110
  167   HH22  ARG  18          2HH2      ARG  18   8.835   5.881  12.732
  168    H    HIS  19           H        HIS  19   5.369   7.025   5.624
  169    HA   HIS  19           HA       HIS  19   7.576   8.873   5.601
  170    HB2  HIS  19           1HB      HIS  19   6.909   6.397   4.058
  171    HB3  HIS  19           2HB      HIS  19   8.192   7.464   3.503
  172    HD1  HIS  19           HD1      HIS  19   7.305   5.361   6.549
  173    HD2  HIS  19           HD2      HIS  19  10.578   7.067   4.651
  174    HE1  HIS  19           HE1      HIS  19   9.350   4.536   7.787
  175    H    GLN  20           H        GLN  20   4.915   8.014   3.627
  176    HA   GLN  20           HA       GLN  20   3.939   8.869   1.764
  177    HB2  GLN  20           1HB      GLN  20   5.052  11.424   2.934
  178    HB3  GLN  20           2HB      GLN  20   3.855  11.355   1.645
  179    HG2  GLN  20           1HG      GLN  20   2.284  10.270   3.118
  180    HG3  GLN  20           2HG      GLN  20   3.486  10.214   4.402
  181   HE21  GLN  20          1HE2      GLN  20   4.481  12.908   3.812
  182   HE22  GLN  20          2HE2      GLN  20   3.277  13.993   4.406
  183    H    ARG  21           H        ARG  21   6.648   7.869   1.639
  184    HA   ARG  21           HA       ARG  21   7.619   9.316  -0.695
  185    HB2  ARG  21           1HB      ARG  21   9.283   8.539   1.688
  186    HB3  ARG  21           2HB      ARG  21   9.970   8.990   0.133
  187    HG2  ARG  21           1HG      ARG  21   8.938  11.192   0.309
  188    HG3  ARG  21           2HG      ARG  21   8.237  10.735   1.864
  189    HD2  ARG  21           1HD      ARG  21  10.471  10.431   2.788
  190    HD3  ARG  21           2HD      ARG  21  11.183  10.858   1.230
  191    HE   ARG  21           HE       ARG  21   9.493  12.944   2.000
  192   HH11  ARG  21          1HH1      ARG  21  12.468  11.434   3.050
  193   HH12  ARG  21          2HH1      ARG  21  13.107  12.886   3.763
  194   HH21  ARG  21          1HH2      ARG  21  10.313  14.859   2.946
  195   HH22  ARG  21          2HH2      ARG  21  11.884  14.842   3.690
  196    H    ILE  22           H        ILE  22   7.547   7.982  -2.292
  197    HA   ILE  22           HA       ILE  22   9.114   5.760  -2.663
  198    HB   ILE  22           HB       ILE  22   7.707   4.688  -0.896
  199   HG12  ILE  22          1HG1      ILE  22   7.254   3.410  -3.591
  200   HG13  ILE  22          2HG1      ILE  22   8.817   3.427  -2.781
  201   HG21  ILE  22          1HG2      ILE  22   5.484   5.029  -2.904
  202   HG22  ILE  22          2HG2      ILE  22   5.591   5.785  -1.315
  203   HG23  ILE  22          3HG2      ILE  22   5.393   4.036  -1.450
  204   HD11  ILE  22          3HD1      ILE  22   7.864   2.187  -0.914
  205   HD12  ILE  22          1HD1      ILE  22   7.657   1.324  -2.437
  206   HD13  ILE  22          2HD1      ILE  22   6.295   2.183  -1.717
  207    H    THR  23           H        THR  23   8.882   4.992  -4.829
  208    HA   THR  23           HA       THR  23   7.108   6.664  -6.434
  209    HB   THR  23           HB       THR  23   8.312   5.695  -8.392
  210    HG1  THR  23           HG1      THR  23  10.434   4.720  -7.007
  211   HG21  THR  23          3HG2      THR  23  10.439   6.861  -7.974
  212   HG22  THR  23          1HG2      THR  23  10.057   6.923  -6.253
  213   HG23  THR  23          2HG2      THR  23   9.055   7.799  -7.409
  214    H    GLN  24           H        GLN  24   5.882   5.632  -8.241
  215    HA   GLN  24           HA       GLN  24   4.124   3.743  -7.079
  216    HB2  GLN  24           1HB      GLN  24   3.422   5.475  -8.698
  217    HB3  GLN  24           2HB      GLN  24   4.286   4.613  -9.967
  218    HG2  GLN  24           1HG      GLN  24   2.812   2.761  -9.829
  219    HG3  GLN  24           2HG      GLN  24   2.074   3.380  -8.353
  220   HE21  GLN  24          1HE2      GLN  24   0.858   2.646 -10.904
  221   HE22  GLN  24          2HE2      GLN  24   0.007   4.058 -11.448
  222    H    GLU  25           H        GLU  25   6.729   3.423  -9.433
  223    HA   GLU  25           HA       GLU  25   6.213   0.709 -10.095
  224    HB2  GLU  25           1HB      GLU  25   7.652   2.157 -11.466
  225    HB3  GLU  25           2HB      GLU  25   8.819   2.244 -10.154
  226    HG2  GLU  25           1HG      GLU  25   9.149  -0.188 -10.322
  227    HG3  GLU  25           2HG      GLU  25   8.036  -0.222 -11.688
  228    H    GLU  26           H        GLU  26   8.325   2.276  -7.747
  229    HA   GLU  26           HA       GLU  26   9.453  -0.042  -6.612
  230    HB2  GLU  26           1HB      GLU  26  10.393   2.197  -6.359
  231    HB3  GLU  26           2HB      GLU  26   8.976   2.712  -5.463
  232    HG2  GLU  26           1HG      GLU  26   9.552   1.176  -3.662
  233    HG3  GLU  26           2HG      GLU  26  10.970   0.647  -4.570
  234    H    LEU  27           H        LEU  27   6.561   1.818  -5.896
  235    HA   LEU  27           HA       LEU  27   5.713   0.558  -3.560
  236    HB2  LEU  27           1HB      LEU  27   4.764   2.596  -4.848
  237    HB3  LEU  27           2HB      LEU  27   3.856   1.421  -5.771
  238    HG   LEU  27           HG       LEU  27   2.538   2.484  -3.971
  239   HD11  LEU  27          1HD1      LEU  27   2.973  -0.478  -3.598
  240   HD12  LEU  27          2HD1      LEU  27   1.881   0.282  -4.754
  241   HD13  LEU  27          3HD1      LEU  27   1.580   0.441  -3.024
  242   HD21  LEU  27          3HD2      LEU  27   4.330   2.798  -2.351
  243   HD22  LEU  27          1HD2      LEU  27   4.449   1.053  -2.128
  244   HD23  LEU  27          2HD2      LEU  27   2.985   1.908  -1.639
  245    H    HIS  28           H        HIS  28   5.157  -0.296  -6.969
  246    HA   HIS  28           HA       HIS  28   3.385  -2.426  -6.303
  247    HB2  HIS  28           1HB      HIS  28   3.367  -1.107  -8.470
  248    HB3  HIS  28           2HB      HIS  28   4.772  -2.057  -8.953
  249    HD1  HIS  28           HD1      HIS  28   4.328  -4.758  -9.015
  250    HD2  HIS  28           HD2      HIS  28   0.984  -2.290  -8.950
  251    HE1  HIS  28           HE1      HIS  28   2.361  -6.213  -9.607
  252    H    GLN  29           H        GLN  29   6.847  -2.279  -7.106
  253    HA   GLN  29           HA       GLN  29   7.142  -5.094  -7.333
  254    HB2  GLN  29           1HB      GLN  29   9.538  -4.727  -7.153
  255    HB3  GLN  29           2HB      GLN  29   8.825  -3.543  -8.231
  256    HG2  GLN  29           1HG      GLN  29  10.282  -2.250  -7.039
  257    HG3  GLN  29           2HG      GLN  29   8.801  -2.031  -6.113
  258   HE21  GLN  29          1HE2      GLN  29  10.730  -4.945  -6.036
  259   HE22  GLN  29          2HE2      GLN  29  11.282  -4.766  -4.407
  260    H    TYR  30           H        TYR  30   7.107  -2.875  -4.667
  261    HA   TYR  30           HA       TYR  30   7.990  -4.760  -2.697
  262    HB2  TYR  30           1HB      TYR  30   8.143  -2.217  -2.580
  263    HB3  TYR  30           2HB      TYR  30   6.421  -2.221  -2.226
  264    HD1  TYR  30           HD1      TYR  30   9.464  -4.037  -1.026
  265    HD2  TYR  30           HD2      TYR  30   5.893  -1.965   0.001
  266    HE1  TYR  30           HE1      TYR  30   9.981  -4.340   1.359
  267    HE2  TYR  30           HE2      TYR  30   6.396  -2.266   2.388
  268    HH   TYR  30           HH       TYR  30   9.408  -3.165   3.532
  269    H    ALA  31           H        ALA  31   5.060  -4.135  -4.341
  270    HA   ALA  31           HA       ALA  31   3.224  -4.969  -2.316
  271    HB1  ALA  31           3HB      ALA  31   2.892  -4.798  -5.321
  272    HB2  ALA  31           1HB      ALA  31   2.491  -3.537  -4.154
  273    HB3  ALA  31           2HB      ALA  31   1.582  -5.050  -4.166
  274    H    GLN  32           H        GLN  32   4.387  -6.509  -5.304
  275    HA   GLN  32           HA       GLN  32   3.165  -9.004  -4.765
  276    HB2  GLN  32           1HB      GLN  32   5.490  -8.365  -6.584
  277    HB3  GLN  32           2HB      GLN  32   4.569  -9.862  -6.594
  278    HG2  GLN  32           1HG      GLN  32   2.572  -8.659  -7.252
  279    HG3  GLN  32           2HG      GLN  32   3.449  -7.131  -7.180
  280   HE21  GLN  32          1HE2      GLN  32   2.957 -10.074  -8.954
  281   HE22  GLN  32          2HE2      GLN  32   3.807  -9.595 -10.387
  282    H    ARG  33           H        ARG  33   6.176  -7.592  -3.788
  283    HA   ARG  33           HA       ARG  33   7.536 -10.001  -3.169
  284    HB2  ARG  33           1HB      ARG  33   8.657  -7.820  -3.502
  285    HB3  ARG  33           2HB      ARG  33   7.968  -7.259  -1.985
  286    HG2  ARG  33           1HG      ARG  33  10.253  -7.927  -1.639
  287    HG3  ARG  33           2HG      ARG  33   9.172  -9.044  -0.805
  288    HD2  ARG  33           1HD      ARG  33  10.250  -9.616  -3.551
  289    HD3  ARG  33           2HD      ARG  33  11.129 -10.056  -2.089
  290    HE   ARG  33           HE       ARG  33   8.804 -11.210  -1.585
  291   HH11  ARG  33          1HH1      ARG  33  10.644 -11.157  -4.562
  292   HH12  ARG  33          2HH1      ARG  33  10.038 -12.690  -5.116
  293   HH21  ARG  33          1HH2      ARG  33   8.035 -13.240  -2.289
  294   HH22  ARG  33          2HH2      ARG  33   8.560 -13.870  -3.822
  295    H    LEU  34           H        LEU  34   5.428  -7.884  -1.250
  296    HA   LEU  34           HA       LEU  34   5.883  -9.570   1.071
  297    HB2  LEU  34           1HB      LEU  34   4.477  -6.955   0.669
  298    HB3  LEU  34           2HB      LEU  34   4.355  -7.859   2.158
  299    HG   LEU  34           HG       LEU  34   6.821  -6.611   0.973
  300   HD11  LEU  34          1HD1      LEU  34   6.866  -5.382   3.068
  301   HD12  LEU  34          2HD1      LEU  34   5.421  -6.232   3.615
  302   HD13  LEU  34          3HD1      LEU  34   5.334  -5.138   2.235
  303   HD21  LEU  34          3HD2      LEU  34   6.631  -8.431   3.371
  304   HD22  LEU  34          1HD2      LEU  34   8.068  -7.555   2.845
  305   HD23  LEU  34          2HD2      LEU  34   7.391  -8.831   1.830
  306    H    GLY  35           H        GLY  35   3.399  -8.933  -1.309
  307    HA2  GLY  35           1HA      GLY  35   1.850 -10.869  -1.574
  308    HA3  GLY  35           2HA      GLY  35   1.668 -10.824   0.176
  309    H    LEU  36           H        LEU  36   1.713  -8.054  -2.026
  310    HA   LEU  36           HA       LEU  36  -0.895  -7.242  -1.045
  311    HB2  LEU  36           1HB      LEU  36   1.368  -5.921  -2.150
  312    HB3  LEU  36           2HB      LEU  36   0.008  -5.657  -3.221
  313    HG   LEU  36           HG       LEU  36  -0.110  -5.037  -0.282
  314   HD11  LEU  36          1HD1      LEU  36   1.648  -3.698  -1.286
  315   HD12  LEU  36          2HD1      LEU  36   0.238  -2.705  -0.914
  316   HD13  LEU  36          3HD1      LEU  36   0.551  -3.207  -2.576
  317   HD21  LEU  36          3HD2      LEU  36  -1.864  -4.526  -2.641
  318   HD22  LEU  36          1HD2      LEU  36  -1.890  -3.444  -1.251
  319   HD23  LEU  36          2HD2      LEU  36  -2.284  -5.144  -1.044
  320    H    ASN  37           H        ASN  37  -2.695  -7.262  -2.161
  321    HA   ASN  37           HA       ASN  37  -2.744  -8.387  -4.864
  322    HB2  ASN  37           1HB      ASN  37  -5.265  -8.594  -4.276
  323    HB3  ASN  37           2HB      ASN  37  -4.138  -9.720  -3.524
  324   HD21  ASN  37          1HD2      ASN  37  -5.867  -6.682  -3.000
  325   HD22  ASN  37          2HD2      ASN  37  -5.985  -6.856  -1.283
  326    H    GLU  38           H        GLU  38  -4.081  -7.345  -6.440
  327    HA   GLU  38           HA       GLU  38  -3.602  -4.611  -6.586
  328    HB2  GLU  38           1HB      GLU  38  -5.571  -6.283  -8.142
  329    HB3  GLU  38           2HB      GLU  38  -5.118  -4.636  -8.559
  330    HG2  GLU  38           1HG      GLU  38  -2.787  -5.365  -8.827
  331    HG3  GLU  38           2HG      GLU  38  -3.282  -7.018  -8.460
  332    H    GLU  39           H        GLU  39  -6.396  -6.331  -5.400
  333    HA   GLU  39           HA       GLU  39  -8.361  -4.402  -5.357
  334    HB2  GLU  39           1HB      GLU  39  -8.883  -6.618  -4.692
  335    HB3  GLU  39           2HB      GLU  39  -7.635  -6.621  -3.458
  336    HG2  GLU  39           1HG      GLU  39  -8.909  -5.215  -2.039
  337    HG3  GLU  39           2HG      GLU  39 -10.079  -4.876  -3.318
  338    H    ALA  40           H        ALA  40  -5.831  -5.000  -2.953
  339    HA   ALA  40           HA       ALA  40  -6.679  -2.735  -1.366
  340    HB1  ALA  40           3HB      ALA  40  -4.800  -3.404   0.117
  341    HB2  ALA  40           1HB      ALA  40  -4.415  -4.696  -1.018
  342    HB3  ALA  40           2HB      ALA  40  -5.962  -4.695  -0.176
  343    H    ILE  41           H        ILE  41  -4.319  -3.482  -3.801
  344    HA   ILE  41           HA       ILE  41  -2.435  -1.504  -3.212
  345    HB   ILE  41           HB       ILE  41  -3.134  -2.534  -5.967
  346   HG12  ILE  41          1HG1      ILE  41  -1.077  -3.482  -3.959
  347   HG13  ILE  41          2HG1      ILE  41  -2.514  -4.366  -4.468
  348   HG21  ILE  41          1HG2      ILE  41  -1.844  -0.462  -6.019
  349   HG22  ILE  41          2HG2      ILE  41  -0.856  -1.824  -6.555
  350   HG23  ILE  41          3HG2      ILE  41  -0.652  -1.169  -4.928
  351   HD11  ILE  41          3HD1      ILE  41  -1.596  -4.497  -6.742
  352   HD12  ILE  41          1HD1      ILE  41  -0.543  -5.249  -5.542
  353   HD13  ILE  41          2HD1      ILE  41  -0.147  -3.656  -6.187
  354    H    ARG  42           H        ARG  42  -5.025  -1.438  -5.658
  355    HA   ARG  42           HA       ARG  42  -4.731   1.291  -6.284
  356    HB2  ARG  42           1HB      ARG  42  -5.839  -0.053  -7.876
  357    HB3  ARG  42           2HB      ARG  42  -6.975  -0.675  -6.690
  358    HG2  ARG  42           1HG      ARG  42  -7.928   1.612  -6.513
  359    HG3  ARG  42           2HG      ARG  42  -6.872   2.093  -7.839
  360    HD2  ARG  42           1HD      ARG  42  -8.006   0.788  -9.387
  361    HD3  ARG  42           2HD      ARG  42  -8.704  -0.252  -8.144
  362    HE   ARG  42           HE       ARG  42  -9.653   2.362  -7.754
  363   HH11  ARG  42          1HH1      ARG  42  -9.917  -0.181 -10.163
  364   HH12  ARG  42          2HH1      ARG  42 -11.581   0.175 -10.538
  365   HH21  ARG  42          1HH2      ARG  42 -11.798   2.871  -8.287
  366   HH22  ARG  42          2HH2      ARG  42 -12.644   1.937  -9.484
  367    H    GLN  43           H        GLN  43  -6.824  -0.400  -3.999
  368    HA   GLN  43           HA       GLN  43  -8.483   1.760  -3.349
  369    HB2  GLN  43           1HB      GLN  43  -9.082  -0.512  -2.769
  370    HB3  GLN  43           2HB      GLN  43  -7.685  -0.646  -1.710
  371    HG2  GLN  43           1HG      GLN  43  -8.604   0.852  -0.137
  372    HG3  GLN  43           2HG      GLN  43  -9.858   1.373  -1.259
  373   HE21  GLN  43          1HE2      GLN  43 -11.445   0.878   0.287
  374   HE22  GLN  43          2HE2      GLN  43 -11.922  -0.762   0.591
  375    H    PHE  44           H        PHE  44  -5.372   0.744  -1.972
  376    HA   PHE  44           HA       PHE  44  -5.471   2.562   0.211
  377    HB2  PHE  44           1HB      PHE  44  -4.006   0.461  -0.037
  378    HB3  PHE  44           2HB      PHE  44  -2.929   1.488  -0.982
  379    HD1  PHE  44           HD1      PHE  44  -4.820   1.758   2.222
  380    HD2  PHE  44           HD2      PHE  44  -1.119   2.301   0.196
  381    HE1  PHE  44           HE1      PHE  44  -3.809   2.575   4.308
  382    HE2  PHE  44           HE2      PHE  44  -0.096   3.124   2.282
  383    HZ   PHE  44           HZ       PHE  44  -1.449   3.268   4.339
  384    H    PHE  45           H        PHE  45  -4.649   2.915  -3.111
  385    HA   PHE  45           HA       PHE  45  -3.242   5.403  -2.750
  386    HB2  PHE  45           1HB      PHE  45  -4.224   3.886  -5.139
  387    HB3  PHE  45           2HB      PHE  45  -3.764   5.575  -5.309
  388    HD1  PHE  45           HD1      PHE  45  -1.426   6.237  -4.503
  389    HD2  PHE  45           HD2      PHE  45  -2.616   2.221  -5.246
  390    HE1  PHE  45           HE1      PHE  45   0.935   5.589  -4.748
  391    HE2  PHE  45           HE2      PHE  45  -0.259   1.564  -5.490
  392    HZ   PHE  45           HZ       PHE  45   1.521   3.250  -5.241
  393    H    GLU  46           H        GLU  46  -6.388   4.621  -4.283
  394    HA   GLU  46           HA       GLU  46  -7.059   7.372  -4.561
  395    HB2  GLU  46           1HB      GLU  46  -9.037   6.642  -5.582
  396    HB3  GLU  46           2HB      GLU  46  -7.879   5.374  -5.939
  397    HG2  GLU  46           1HG      GLU  46  -8.822   4.037  -4.074
  398    HG3  GLU  46           2HG      GLU  46 -10.038   5.293  -3.852
  399    H    GLU  47           H        GLU  47  -7.916   4.888  -2.267
  400    HA   GLU  47           HA       GLU  47  -9.736   6.709  -0.870
  401    HB2  GLU  47           1HB      GLU  47 -10.586   4.515  -1.560
  402    HB3  GLU  47           2HB      GLU  47  -9.309   3.718  -0.663
  403    HG2  GLU  47           1HG      GLU  47 -10.285   4.812   1.405
  404    HG3  GLU  47           2HG      GLU  47 -11.669   5.241   0.398
  405    H    PHE  48           H        PHE  48  -6.707   6.574  -0.866
  406    HA   PHE  48           HA       PHE  48  -5.557   5.608   1.425
  407    HB2  PHE  48           1HB      PHE  48  -4.325   6.644  -0.426
  408    HB3  PHE  48           2HB      PHE  48  -4.963   8.220   0.020
  409    HD1  PHE  48           HD1      PHE  48  -3.231   5.395   1.742
  410    HD2  PHE  48           HD2      PHE  48  -3.499   9.590   1.080
  411    HE1  PHE  48           HE1      PHE  48  -1.313   5.754   3.244
  412    HE2  PHE  48           HE2      PHE  48  -1.585   9.955   2.576
  413    HZ   PHE  48           HZ       PHE  48  -0.492   8.036   3.662
  414    H    GLU  49           H        GLU  49  -7.241   8.668   1.014
  415    HA   GLU  49           HA       GLU  49  -7.110   9.092   3.919
  416    HB2  GLU  49           1HB      GLU  49  -7.113  11.564   3.304
  417    HB3  GLU  49           2HB      GLU  49  -5.627  10.676   2.978
  418    HG2  GLU  49           1HG      GLU  49  -6.357  10.411   0.630
  419    HG3  GLU  49           2HG      GLU  49  -7.755  11.423   0.986
  420    H    GLN  50           H        GLN  50  -9.129   8.078   1.773
  421    HA   GLN  50           HA       GLN  50 -11.323   9.948   2.357
  422    HB2  GLN  50           1HB      GLN  50 -11.177   7.801   0.229
  423    HB3  GLN  50           2HB      GLN  50 -12.468   8.978   0.429
  424    HG2  GLN  50           1HG      GLN  50 -10.812  10.777  -0.016
  425    HG3  GLN  50           2HG      GLN  50  -9.618   9.526  -0.363
  426   HE21  GLN  50          1HE2      GLN  50 -11.660   7.791  -1.605
  427   HE22  GLN  50          2HE2      GLN  50 -11.963   8.476  -3.164
  428    H    ARG  51           H        ARG  51 -10.114   7.662   3.957
  429    HA   ARG  51           HA       ARG  51 -12.318   5.784   4.104
  430    HB2  ARG  51           1HB      ARG  51  -9.628   5.949   5.438
  431    HB3  ARG  51           2HB      ARG  51 -10.836   4.760   5.914
  432    HG2  ARG  51           1HG      ARG  51 -10.770   3.705   3.835
  433    HG3  ARG  51           2HG      ARG  51  -9.945   5.067   3.080
  434    HD2  ARG  51           1HD      ARG  51  -7.911   4.550   4.072
  435    HD3  ARG  51           2HD      ARG  51  -8.664   3.517   5.296
  436    HE   ARG  51           HE       ARG  51  -8.986   2.629   2.557
  437   HH11  ARG  51          1HH1      ARG  51  -7.106   2.403   5.511
  438   HH12  ARG  51          2HH1      ARG  51  -6.386   0.872   5.082
  439   HH21  ARG  51          1HH2      ARG  51  -8.036   0.613   2.003
  440   HH22  ARG  51          2HH2      ARG  51  -6.913  -0.132   3.094
  441    H    LYS  52           H        LYS  52 -14.037   6.451   5.112
  442    HA   LYS  52           HA       LYS  52 -13.987   8.460   7.147
  443    HB2  LYS  52           1HB      LYS  52 -16.281   6.730   6.202
  444    HB3  LYS  52           2HB      LYS  52 -16.417   8.208   7.146
  445    HG2  LYS  52           1HG      LYS  52 -15.495   9.488   5.285
  446    HG3  LYS  52           2HG      LYS  52 -15.342   8.012   4.336
  447    HD2  LYS  52           1HD      LYS  52 -17.323   9.096   3.606
  448    HD3  LYS  52           2HD      LYS  52 -17.834   7.725   4.588
  449    HE2  LYS  52           1HE      LYS  52 -17.511  10.446   5.795
  450    HE3  LYS  52           2HE      LYS  52 -18.981  10.017   4.925
  451    HZ1  LYS  52           3HZ      LYS  52 -17.924   8.390   7.167
  452    HZ2  LYS  52           1HZ      LYS  52 -19.464   8.328   6.467
  453    HZ3  LYS  52           2HZ      LYS  52 -19.008   9.668   7.399
  Start of MODEL   39
    1    H1   MET   1           1H       MET   1 -12.728  -7.871   4.139
    2    H2   MET   1           2H       MET   1 -12.188  -7.678   5.728
    3    H3   MET   1           3H       MET   1 -13.582  -8.595   5.418
    4    HA   MET   1           HA       MET   1 -11.808 -10.080   5.874
    5    HB2  MET   1           1HB      MET   1 -13.373 -10.770   4.116
    6    HB3  MET   1           2HB      MET   1 -12.428  -9.911   2.908
    7    HG2  MET   1           1HG      MET   1 -10.566 -11.441   3.257
    8    HG3  MET   1           2HG      MET   1 -11.485 -12.283   4.503
    9    HE1  MET   1           3HE      MET   1 -14.388 -12.338   3.349
   10    HE2  MET   1           1HE      MET   1 -13.632 -13.780   4.025
   11    HE3  MET   1           2HE      MET   1 -14.418 -13.855   2.448
   12    H    LYS   2           H        LYS   2  -9.592 -10.615   5.736
   13    HA   LYS   2           HA       LYS   2  -7.854  -8.468   5.105
   14    HB2  LYS   2           1HB      LYS   2  -7.227 -11.376   5.649
   15    HB3  LYS   2           2HB      LYS   2  -6.038 -10.081   5.591
   16    HG2  LYS   2           1HG      LYS   2  -7.209  -8.981   7.474
   17    HG3  LYS   2           2HG      LYS   2  -8.298 -10.364   7.563
   18    HD2  LYS   2           1HD      LYS   2  -5.306 -10.412   7.961
   19    HD3  LYS   2           2HD      LYS   2  -6.532 -10.563   9.221
   20    HE2  LYS   2           1HE      LYS   2  -7.354 -12.615   8.086
   21    HE3  LYS   2           2HE      LYS   2  -6.005 -12.486   6.960
   22    HZ1  LYS   2           3HZ      LYS   2  -5.871 -12.943   9.888
   23    HZ2  LYS   2           1HZ      LYS   2  -4.513 -12.584   8.936
   24    HZ3  LYS   2           2HZ      LYS   2  -5.398 -14.005   8.657
   25    H    GLN   3           H        GLN   3  -7.023  -7.900   3.291
   26    HA   GLN   3           HA       GLN   3  -7.116  -9.730   0.985
   27    HB2  GLN   3           1HB      GLN   3  -7.283  -6.719   1.142
   28    HB3  GLN   3           2HB      GLN   3  -6.999  -7.579  -0.364
   29    HG2  GLN   3           1HG      GLN   3  -9.398  -8.008   1.395
   30    HG3  GLN   3           2HG      GLN   3  -9.357  -6.911   0.015
   31   HE21  GLN   3          1HE2      GLN   3 -11.017  -9.246   0.442
   32   HE22  GLN   3          2HE2      GLN   3 -10.708 -10.308  -0.890
   33    H    TRP   4           H        TRP   4  -5.312  -6.942   2.219
   34    HA   TRP   4           HA       TRP   4  -2.798  -7.674   1.191
   35    HB2  TRP   4           1HB      TRP   4  -2.510  -6.455   3.771
   36    HB3  TRP   4           2HB      TRP   4  -2.192  -5.746   2.200
   37    HD1  TRP   4           HD1      TRP   4  -5.485  -6.418   4.176
   38    HE1  TRP   4           HE1      TRP   4  -6.907  -4.277   4.064
   39    HE3  TRP   4           HE3      TRP   4  -2.296  -3.509   1.488
   40    HZ2  TRP   4           HZ2      TRP   4  -6.705  -1.701   2.957
   41    HZ3  TRP   4           HZ3      TRP   4  -2.986  -1.213   0.933
   42    HH2  TRP   4           HH2      TRP   4  -5.142  -0.331   1.660
   43    H    SER   5           H        SER   5  -1.095  -8.803   2.268
   44    HA   SER   5           HA       SER   5  -1.699 -10.756   4.183
   45    HB2  SER   5           1HB      SER   5   0.369 -10.903   2.937
   46    HB3  SER   5           2HB      SER   5   0.900  -9.331   3.528
   47    HG   SER   5           HG       SER   5   1.154 -11.786   4.647
   48    H    GLU   6           H        GLU   6  -2.255 -10.499   6.253
   49    HA   GLU   6           HA       GLU   6  -2.926  -8.333   7.624
   50    HB2  GLU   6           1HB      GLU   6  -3.100 -10.653   8.439
   51    HB3  GLU   6           2HB      GLU   6  -1.395 -10.620   8.861
   52    HG2  GLU   6           1HG      GLU   6  -1.829  -8.823  10.463
   53    HG3  GLU   6           2HG      GLU   6  -3.542  -8.874  10.043
   54    H    ASN   7           H        ASN   7   0.440  -9.463   7.491
   55    HA   ASN   7           HA       ASN   7   1.416  -7.449   9.267
   56    HB2  ASN   7           1HB      ASN   7   2.743  -9.367   7.391
   57    HB3  ASN   7           2HB      ASN   7   3.670  -8.189   8.313
   58   HD21  ASN   7          1HD2      ASN   7   3.788  -8.392  10.557
   59   HD22  ASN   7          2HD2      ASN   7   3.415  -9.888  11.351
   60    H    VAL   8           H        VAL   8   0.870  -7.613   5.843
   61    HA   VAL   8           HA       VAL   8   2.756  -5.569   5.137
   62    HB   VAL   8           HB       VAL   8   0.464  -6.806   3.611
   63   HG11  VAL   8          1HG1      VAL   8   2.584  -4.889   2.652
   64   HG12  VAL   8          2HG1      VAL   8   0.854  -4.562   2.785
   65   HG13  VAL   8          3HG1      VAL   8   1.440  -5.748   1.621
   66   HG21  VAL   8          3HG2      VAL   8   2.255  -7.937   2.368
   67   HG22  VAL   8          1HG2      VAL   8   2.282  -8.344   4.084
   68   HG23  VAL   8          2HG2      VAL   8   3.451  -7.195   3.432
   69    H    GLU   9           H        GLU   9  -0.654  -5.761   5.908
   70    HA   GLU   9           HA       GLU   9  -1.519  -3.249   5.097
   71    HB2  GLU   9           1HB      GLU   9  -2.901  -5.143   6.048
   72    HB3  GLU   9           2HB      GLU   9  -2.346  -4.651   7.645
   73    HG2  GLU   9           1HG      GLU   9  -3.305  -2.370   7.140
   74    HG3  GLU   9           2HG      GLU   9  -4.051  -3.096   5.718
   75    H    GLU  10           H        GLU  10   0.151  -4.248   8.030
   76    HA   GLU  10           HA       GLU  10   0.221  -1.702   9.284
   77    HB2  GLU  10           1HB      GLU  10   0.585  -3.640  10.631
   78    HB3  GLU  10           2HB      GLU  10   1.880  -4.209   9.587
   79    HG2  GLU  10           1HG      GLU  10   3.170  -2.159  10.264
   80    HG3  GLU  10           2HG      GLU  10   1.924  -1.876  11.479
   81    H    LYS  11           H        LYS  11   2.638  -3.536   7.444
   82    HA   LYS  11           HA       LYS  11   4.676  -1.635   7.632
   83    HB2  LYS  11           1HB      LYS  11   4.204  -3.924   5.764
   84    HB3  LYS  11           2HB      LYS  11   5.644  -2.918   5.663
   85    HG2  LYS  11           1HG      LYS  11   4.875  -4.098   8.284
   86    HG3  LYS  11           2HG      LYS  11   5.638  -5.105   7.069
   87    HD2  LYS  11           1HD      LYS  11   7.624  -3.910   7.126
   88    HD3  LYS  11           2HD      LYS  11   6.853  -2.476   7.801
   89    HE2  LYS  11           1HE      LYS  11   7.204  -5.083   9.269
   90    HE3  LYS  11           2HE      LYS  11   8.284  -3.696   9.419
   91    HZ1  LYS  11           3HZ      LYS  11   6.306  -2.386  10.136
   92    HZ2  LYS  11           1HZ      LYS  11   6.739  -3.628  11.211
   93    HZ3  LYS  11           2HZ      LYS  11   5.414  -3.828  10.178
   94    H    LEU  12           H        LEU  12   2.113  -2.030   5.271
   95    HA   LEU  12           HA       LEU  12   3.178  -0.277   3.319
   96    HB2  LEU  12           1HB      LEU  12   1.249  -1.999   3.144
   97    HB3  LEU  12           2HB      LEU  12   0.238  -0.703   3.754
   98    HG   LEU  12           HG       LEU  12   0.908   0.696   1.819
   99   HD11  LEU  12          1HD1      LEU  12   3.061  -0.249   1.318
  100   HD12  LEU  12          2HD1      LEU  12   2.013  -0.450  -0.085
  101   HD13  LEU  12          3HD1      LEU  12   2.337  -1.819   0.975
  102   HD21  LEU  12          3HD2      LEU  12  -0.244  -1.997   1.100
  103   HD22  LEU  12          1HD2      LEU  12  -0.393  -0.517   0.151
  104   HD23  LEU  12          2HD2      LEU  12  -1.144  -0.622   1.744
  105    H    LYS  13           H        LYS  13   1.000   0.168   6.066
  106    HA   LYS  13           HA       LYS  13   0.427   2.879   5.738
  107    HB2  LYS  13           1HB      LYS  13  -0.719   1.475   7.372
  108    HB3  LYS  13           2HB      LYS  13   0.771   1.260   8.268
  109    HG2  LYS  13           1HG      LYS  13  -0.296   4.015   7.882
  110    HG3  LYS  13           2HG      LYS  13  -1.065   2.957   9.061
  111    HD2  LYS  13           1HD      LYS  13   1.847   3.761   9.004
  112    HD3  LYS  13           2HD      LYS  13   0.623   4.360  10.123
  113    HE2  LYS  13           1HE      LYS  13   1.605   1.508   9.910
  114    HE3  LYS  13           2HE      LYS  13   2.013   2.655  11.182
  115    HZ1  LYS  13           3HZ      LYS  13   0.298   1.131  11.900
  116    HZ2  LYS  13           1HZ      LYS  13  -0.700   1.584  10.607
  117    HZ3  LYS  13           2HZ      LYS  13  -0.326   2.705  11.821
  118    H    GLU  14           H        GLU  14   3.167   1.287   7.245
  119    HA   GLU  14           HA       GLU  14   4.387   3.648   8.225
  120    HB2  GLU  14           1HB      GLU  14   5.730   1.042   7.510
  121    HB3  GLU  14           2HB      GLU  14   6.335   2.274   8.608
  122    HG2  GLU  14           1HG      GLU  14   4.413   1.841  10.095
  123    HG3  GLU  14           2HG      GLU  14   3.912   0.536   9.017
  124    H    PHE  15           H        PHE  15   5.128   1.621   5.379
  125    HA   PHE  15           HA       PHE  15   7.347   3.227   4.664
  126    HB2  PHE  15           1HB      PHE  15   7.092   0.798   4.199
  127    HB3  PHE  15           2HB      PHE  15   5.850   1.184   3.019
  128    HD1  PHE  15           HD1      PHE  15   9.157   2.766   3.680
  129    HD2  PHE  15           HD2      PHE  15   6.710   0.599   0.959
  130    HE1  PHE  15           HE1      PHE  15  10.912   2.947   1.967
  131    HE2  PHE  15           HE2      PHE  15   8.459   0.771  -0.759
  132    HZ   PHE  15           HZ       PHE  15  10.564   1.948  -0.258
  133    H    VAL  16           H        VAL  16   3.996   3.591   4.079
  134    HA   VAL  16           HA       VAL  16   4.470   5.301   1.762
  135    HB   VAL  16           HB       VAL  16   1.883   4.407   3.037
  136   HG11  VAL  16          1HG1      VAL  16   2.282   6.125   0.583
  137   HG12  VAL  16          2HG1      VAL  16   1.659   6.683   2.137
  138   HG13  VAL  16          3HG1      VAL  16   0.739   5.516   1.186
  139   HG21  VAL  16          3HG2      VAL  16   3.135   3.770   0.366
  140   HG22  VAL  16          1HG2      VAL  16   1.575   3.180   0.941
  141   HG23  VAL  16          2HG2      VAL  16   3.060   2.684   1.754
  142    H    LYS  17           H        LYS  17   2.690   5.652   4.878
  143    HA   LYS  17           HA       LYS  17   2.708   8.521   4.403
  144    HB2  LYS  17           1HB      LYS  17   0.970   8.709   5.951
  145    HB3  LYS  17           2HB      LYS  17   0.655   7.204   5.113
  146    HG2  LYS  17           1HG      LYS  17   0.222   6.586   7.261
  147    HG3  LYS  17           2HG      LYS  17   1.926   6.160   7.149
  148    HD2  LYS  17           1HD      LYS  17   1.631   7.291   9.223
  149    HD3  LYS  17           2HD      LYS  17   2.470   8.397   8.144
  150    HE2  LYS  17           1HE      LYS  17  -0.496   8.463   8.721
  151    HE3  LYS  17           2HE      LYS  17   0.705   9.479   9.504
  152    HZ1  LYS  17           3HZ      LYS  17   1.248  10.110   7.027
  153    HZ2  LYS  17           1HZ      LYS  17  -0.016  10.865   7.868
  154    HZ3  LYS  17           2HZ      LYS  17  -0.352   9.615   6.774
  155    H    ARG  18           H        ARG  18   4.138   6.214   6.595
  156    HA   ARG  18           HA       ARG  18   5.137   8.193   8.415
  157    HB2  ARG  18           1HB      ARG  18   5.691   5.278   7.999
  158    HB3  ARG  18           2HB      ARG  18   6.727   6.224   9.052
  159    HG2  ARG  18           1HG      ARG  18   4.705   6.853  10.361
  160    HG3  ARG  18           2HG      ARG  18   3.768   5.757   9.342
  161    HD2  ARG  18           1HD      ARG  18   5.090   3.875  10.084
  162    HD3  ARG  18           2HD      ARG  18   6.146   4.941  11.011
  163    HE   ARG  18           HE       ARG  18   3.517   5.337  11.889
  164   HH11  ARG  18          1HH1      ARG  18   5.939   2.796  11.906
  165   HH12  ARG  18          2HH1      ARG  18   5.378   2.099  13.392
  166   HH21  ARG  18          1HH2      ARG  18   2.802   4.441  13.856
  167   HH22  ARG  18          2HH2      ARG  18   3.589   3.036  14.511
  168    H    HIS  19           H        HIS  19   6.514   6.362   5.720
  169    HA   HIS  19           HA       HIS  19   9.085   7.620   5.958
  170    HB2  HIS  19           1HB      HIS  19   7.857   5.841   3.852
  171    HB3  HIS  19           2HB      HIS  19   9.484   6.494   3.713
  172    HD1  HIS  19           HD1      HIS  19  10.963   4.497   4.111
  173    HD2  HIS  19           HD2      HIS  19   7.871   4.773   6.876
  174    HE1  HIS  19           HE1      HIS  19  11.344   2.649   5.793
  175    H    GLN  20           H        GLN  20   9.766   8.222   3.350
  176    HA   GLN  20           HA       GLN  20   8.608  10.855   3.151
  177    HB2  GLN  20           1HB      GLN  20  11.089  10.080   2.843
  178    HB3  GLN  20           2HB      GLN  20  10.576   9.724   1.201
  179    HG2  GLN  20           1HG      GLN  20   9.724  12.115   1.122
  180    HG3  GLN  20           2HG      GLN  20  10.644  12.359   2.604
  181   HE21  GLN  20          1HE2      GLN  20  11.636  10.232   0.023
  182   HE22  GLN  20          2HE2      GLN  20  13.004  11.160  -0.485
  183    H    ARG  21           H        ARG  21   6.860   8.631   2.509
  184    HA   ARG  21           HA       ARG  21   5.266   8.037   1.028
  185    HB2  ARG  21           1HB      ARG  21   6.187  10.494  -0.478
  186    HB3  ARG  21           2HB      ARG  21   4.737   9.575  -0.848
  187    HG2  ARG  21           1HG      ARG  21   3.744  10.164   1.239
  188    HG3  ARG  21           2HG      ARG  21   5.247  10.906   1.798
  189    HD2  ARG  21           1HD      ARG  21   3.546  11.827  -0.514
  190    HD3  ARG  21           2HD      ARG  21   3.664  12.600   1.062
  191    HE   ARG  21           HE       ARG  21   6.153  12.799   0.415
  192   HH11  ARG  21          1HH1      ARG  21   3.427  13.098  -1.751
  193   HH12  ARG  21          2HH1      ARG  21   4.273  14.096  -2.898
  194   HH21  ARG  21          1HH2      ARG  21   7.270  14.148  -1.045
  195   HH22  ARG  21          2HH2      ARG  21   6.457  14.728  -2.474
  196    H    ILE  22           H        ILE  22   4.997   7.655  -1.553
  197    HA   ILE  22           HA       ILE  22   7.436   6.726  -2.785
  198    HB   ILE  22           HB       ILE  22   7.180   4.959  -1.174
  199   HG12  ILE  22          1HG1      ILE  22   6.127   3.967  -3.828
  200   HG13  ILE  22          2HG1      ILE  22   7.823   4.310  -3.486
  201   HG21  ILE  22          1HG2      ILE  22   4.829   5.324  -0.642
  202   HG22  ILE  22          2HG2      ILE  22   5.155   3.625  -0.972
  203   HG23  ILE  22          3HG2      ILE  22   4.364   4.625  -2.190
  204   HD11  ILE  22          3HD1      ILE  22   6.134   2.245  -2.101
  205   HD12  ILE  22          1HD1      ILE  22   7.836   2.578  -1.785
  206   HD13  ILE  22          2HD1      ILE  22   7.342   1.932  -3.350
  207    H    THR  23           H        THR  23   7.140   6.174  -4.982
  208    HA   THR  23           HA       THR  23   4.611   7.123  -6.061
  209    HB   THR  23           HB       THR  23   5.727   7.005  -8.268
  210    HG1  THR  23           HG1      THR  23   7.921   6.072  -6.690
  211   HG21  THR  23          3HG2      THR  23   5.820   9.058  -6.982
  212   HG22  THR  23          1HG2      THR  23   7.339   8.818  -7.843
  213   HG23  THR  23          2HG2      THR  23   7.243   8.478  -6.115
  214    H    GLN  24           H        GLN  24   3.750   5.947  -8.042
  215    HA   GLN  24           HA       GLN  24   2.602   3.622  -7.028
  216    HB2  GLN  24           1HB      GLN  24   1.501   5.097  -8.628
  217    HB3  GLN  24           2HB      GLN  24   2.628   4.596  -9.883
  218    HG2  GLN  24           1HG      GLN  24   1.774   2.330  -9.783
  219    HG3  GLN  24           2HG      GLN  24   0.692   2.774  -8.465
  220   HE21  GLN  24          1HE2      GLN  24   1.319   3.019 -11.870
  221   HE22  GLN  24          2HE2      GLN  24  -0.245   3.622 -12.312
  222    H    GLU  25           H        GLU  25   5.171   3.914  -9.496
  223    HA   GLU  25           HA       GLU  25   5.140   1.179 -10.202
  224    HB2  GLU  25           1HB      GLU  25   6.266   2.929 -11.559
  225    HB3  GLU  25           2HB      GLU  25   7.501   3.064 -10.313
  226    HG2  GLU  25           1HG      GLU  25   8.163   0.759 -10.688
  227    HG3  GLU  25           2HG      GLU  25   6.889   0.573 -11.890
  228    H    GLU  26           H        GLU  26   7.188   2.979  -7.929
  229    HA   GLU  26           HA       GLU  26   8.667   0.828  -6.930
  230    HB2  GLU  26           1HB      GLU  26   7.732   3.203  -5.314
  231    HB3  GLU  26           2HB      GLU  26   9.158   2.223  -5.031
  232    HG2  GLU  26           1HG      GLU  26  10.233   3.112  -6.970
  233    HG3  GLU  26           2HG      GLU  26   8.764   3.961  -7.454
  234    H    LEU  27           H        LEU  27   5.557   2.167  -6.012
  235    HA   LEU  27           HA       LEU  27   5.103   0.674  -3.682
  236    HB2  LEU  27           1HB      LEU  27   3.898   2.754  -4.691
  237    HB3  LEU  27           2HB      LEU  27   2.900   1.573  -5.509
  238    HG   LEU  27           HG       LEU  27   1.914   2.501  -3.411
  239   HD11  LEU  27          1HD1      LEU  27   1.134   0.362  -4.267
  240   HD12  LEU  27          2HD1      LEU  27   1.145   0.376  -2.503
  241   HD13  LEU  27          3HD1      LEU  27   2.417  -0.468  -3.386
  242   HD21  LEU  27          3HD2      LEU  27   2.767   1.761  -1.271
  243   HD22  LEU  27          1HD2      LEU  27   4.010   2.659  -2.143
  244   HD23  LEU  27          2HD2      LEU  27   4.082   0.898  -2.068
  245    H    HIS  28           H        HIS  28   3.956   0.136  -7.023
  246    HA   HIS  28           HA       HIS  28   2.493  -2.191  -6.377
  247    HB2  HIS  28           1HB      HIS  28   2.240  -0.714  -8.456
  248    HB3  HIS  28           2HB      HIS  28   3.606  -1.610  -9.120
  249    HD1  HIS  28           HD1      HIS  28   2.831  -4.469  -8.219
  250    HD2  HIS  28           HD2      HIS  28   0.176  -1.739  -9.883
  251    HE1  HIS  28           HE1      HIS  28   0.904  -5.819  -9.111
  252    H    GLN  29           H        GLN  29   5.795  -1.717  -7.571
  253    HA   GLN  29           HA       GLN  29   6.362  -4.455  -7.996
  254    HB2  GLN  29           1HB      GLN  29   7.743  -2.494  -8.803
  255    HB3  GLN  29           2HB      GLN  29   8.354  -2.343  -7.163
  256    HG2  GLN  29           1HG      GLN  29   9.933  -3.555  -8.524
  257    HG3  GLN  29           2HG      GLN  29   9.250  -4.625  -7.299
  258   HE21  GLN  29          1HE2      GLN  29   7.870  -6.280  -7.927
  259   HE22  GLN  29          2HE2      GLN  29   7.714  -6.789  -9.574
  260    H    TYR  30           H        TYR  30   6.653  -2.345  -5.207
  261    HA   TYR  30           HA       TYR  30   7.852  -4.262  -3.475
  262    HB2  TYR  30           1HB      TYR  30   7.968  -1.783  -3.202
  263    HB3  TYR  30           2HB      TYR  30   6.260  -1.779  -2.791
  264    HD1  TYR  30           HD1      TYR  30   9.370  -3.569  -1.706
  265    HD2  TYR  30           HD2      TYR  30   5.766  -1.621  -0.560
  266    HE1  TYR  30           HE1      TYR  30   9.963  -3.877   0.663
  267    HE2  TYR  30           HE2      TYR  30   6.346  -1.924   1.807
  268    HH   TYR  30           HH       TYR  30   7.762  -3.470   3.172
  269    H    ALA  31           H        ALA  31   4.588  -3.441  -4.388
  270    HA   ALA  31           HA       ALA  31   3.198  -4.705  -2.273
  271    HB1  ALA  31           3HB      ALA  31   2.115  -3.092  -3.751
  272    HB2  ALA  31           1HB      ALA  31   1.255  -4.632  -3.791
  273    HB3  ALA  31           2HB      ALA  31   2.321  -4.181  -5.123
  274    H    GLN  32           H        GLN  32   4.211  -5.776  -5.471
  275    HA   GLN  32           HA       GLN  32   3.043  -8.350  -5.336
  276    HB2  GLN  32           1HB      GLN  32   3.840  -7.052  -7.387
  277    HB3  GLN  32           2HB      GLN  32   5.464  -7.557  -6.955
  278    HG2  GLN  32           1HG      GLN  32   4.641  -9.023  -8.636
  279    HG3  GLN  32           2HG      GLN  32   4.710  -9.917  -7.117
  280   HE21  GLN  32          1HE2      GLN  32   2.644  -8.437  -9.486
  281   HE22  GLN  32          2HE2      GLN  32   1.165  -9.194  -8.970
  282    H    ARG  33           H        ARG  33   6.012  -7.005  -4.143
  283    HA   ARG  33           HA       ARG  33   7.353  -9.501  -3.744
  284    HB2  ARG  33           1HB      ARG  33   8.547  -7.340  -3.968
  285    HB3  ARG  33           2HB      ARG  33   7.853  -6.818  -2.439
  286    HG2  ARG  33           1HG      ARG  33   9.026  -8.605  -1.280
  287    HG3  ARG  33           2HG      ARG  33   9.697  -9.169  -2.812
  288    HD2  ARG  33           1HD      ARG  33  10.184  -6.488  -1.520
  289    HD3  ARG  33           2HD      ARG  33  11.324  -7.829  -1.606
  290    HE   ARG  33           HE       ARG  33  10.349  -6.844  -4.161
  291   HH11  ARG  33          1HH1      ARG  33  12.902  -6.749  -1.748
  292   HH12  ARG  33          2HH1      ARG  33  14.058  -6.050  -2.835
  293   HH21  ARG  33          1HH2      ARG  33  11.896  -5.958  -5.577
  294   HH22  ARG  33          2HH2      ARG  33  13.490  -5.593  -4.986
  295    H    LEU  34           H        LEU  34   5.504  -7.287  -1.678
  296    HA   LEU  34           HA       LEU  34   5.827  -8.872   0.672
  297    HB2  LEU  34           1HB      LEU  34   3.874  -6.672   0.009
  298    HB3  LEU  34           2HB      LEU  34   4.034  -7.408   1.590
  299    HG   LEU  34           HG       LEU  34   6.143  -5.802   0.154
  300   HD11  LEU  34          1HD1      LEU  34   4.315  -4.468   1.058
  301   HD12  LEU  34          2HD1      LEU  34   5.807  -4.209   1.961
  302   HD13  LEU  34          3HD1      LEU  34   4.536  -5.226   2.634
  303   HD21  LEU  34          3HD2      LEU  34   6.228  -7.102   2.875
  304   HD22  LEU  34          1HD2      LEU  34   7.456  -6.032   2.198
  305   HD23  LEU  34          2HD2      LEU  34   7.153  -7.605   1.459
  306    H    GLY  35           H        GLY  35   3.382  -8.657  -1.842
  307    HA2  GLY  35           1HA      GLY  35   2.233 -10.799  -2.285
  308    HA3  GLY  35           2HA      GLY  35   2.012 -10.933  -0.548
  309    H    LEU  36           H        LEU  36   1.577  -8.069  -2.583
  310    HA   LEU  36           HA       LEU  36  -1.154  -7.891  -1.565
  311    HB2  LEU  36           1HB      LEU  36   0.505  -5.861  -3.052
  312    HB3  LEU  36           2HB      LEU  36  -1.127  -5.604  -2.461
  313    HG   LEU  36           HG       LEU  36   1.310  -6.113  -0.755
  314   HD11  LEU  36          1HD1      LEU  36  -0.401  -3.655  -1.119
  315   HD12  LEU  36          2HD1      LEU  36   1.243  -3.870  -1.719
  316   HD13  LEU  36          3HD1      LEU  36   0.939  -3.824   0.017
  317   HD21  LEU  36          3HD2      LEU  36  -0.199  -5.698   1.123
  318   HD22  LEU  36          1HD2      LEU  36  -0.676  -7.127   0.208
  319   HD23  LEU  36          2HD2      LEU  36  -1.562  -5.615   0.005
  320    H    ASN  37           H        ASN  37  -2.845  -8.268  -2.745
  321    HA   ASN  37           HA       ASN  37  -2.611  -8.571  -5.627
  322    HB2  ASN  37           1HB      ASN  37  -5.095  -9.159  -5.416
  323    HB3  ASN  37           2HB      ASN  37  -3.950 -10.278  -4.697
  324   HD21  ASN  37          1HD2      ASN  37  -4.789  -7.216  -3.196
  325   HD22  ASN  37          2HD2      ASN  37  -5.682  -7.904  -1.882
  326    H    GLU  38           H        GLU  38  -4.322  -7.447  -6.982
  327    HA   GLU  38           HA       GLU  38  -3.735  -4.719  -6.763
  328    HB2  GLU  38           1HB      GLU  38  -5.723  -6.196  -8.474
  329    HB3  GLU  38           2HB      GLU  38  -5.425  -4.469  -8.632
  330    HG2  GLU  38           1HG      GLU  38  -3.087  -4.901  -9.135
  331    HG3  GLU  38           2HG      GLU  38  -3.354  -6.630  -8.931
  332    H    GLU  39           H        GLU  39  -6.452  -6.523  -5.547
  333    HA   GLU  39           HA       GLU  39  -8.326  -4.575  -4.978
  334    HB2  GLU  39           1HB      GLU  39  -8.795  -6.838  -4.380
  335    HB3  GLU  39           2HB      GLU  39  -7.342  -6.951  -3.397
  336    HG2  GLU  39           1HG      GLU  39  -9.112  -6.840  -1.873
  337    HG3  GLU  39           2HG      GLU  39  -8.407  -5.227  -1.873
  338    H    ALA  40           H        ALA  40  -5.718  -5.647  -2.880
  339    HA   ALA  40           HA       ALA  40  -6.136  -3.701  -0.891
  340    HB1  ALA  40           3HB      ALA  40  -5.058  -5.885  -0.522
  341    HB2  ALA  40           1HB      ALA  40  -4.101  -4.541   0.094
  342    HB3  ALA  40           2HB      ALA  40  -3.652  -5.320  -1.423
  343    H    ILE  41           H        ILE  41  -3.974  -3.858  -3.654
  344    HA   ILE  41           HA       ILE  41  -2.265  -1.743  -2.987
  345    HB   ILE  41           HB       ILE  41  -3.116  -2.550  -5.774
  346   HG12  ILE  41          1HG1      ILE  41  -0.834  -3.600  -4.079
  347   HG13  ILE  41          2HG1      ILE  41  -2.311  -4.482  -4.464
  348   HG21  ILE  41          1HG2      ILE  41  -0.619  -1.168  -4.786
  349   HG22  ILE  41          2HG2      ILE  41  -1.938  -0.418  -5.688
  350   HG23  ILE  41          3HG2      ILE  41  -0.940  -1.658  -6.452
  351   HD11  ILE  41          3HD1      ILE  41  -1.711  -4.439  -6.834
  352   HD12  ILE  41          1HD1      ILE  41  -0.466  -5.214  -5.853
  353   HD13  ILE  41          2HD1      ILE  41  -0.229  -3.566  -6.438
  354    H    ARG  42           H        ARG  42  -5.330  -1.799  -4.736
  355    HA   ARG  42           HA       ARG  42  -5.224   0.985  -5.401
  356    HB2  ARG  42           1HB      ARG  42  -7.487  -1.009  -5.567
  357    HB3  ARG  42           2HB      ARG  42  -7.538   0.625  -6.214
  358    HG2  ARG  42           1HG      ARG  42  -5.685   0.109  -7.688
  359    HG3  ARG  42           2HG      ARG  42  -5.655  -1.552  -7.086
  360    HD2  ARG  42           1HD      ARG  42  -6.863  -1.502  -9.169
  361    HD3  ARG  42           2HD      ARG  42  -8.011  -1.798  -7.859
  362    HE   ARG  42           HE       ARG  42  -7.837   0.969  -8.323
  363   HH11  ARG  42          1HH1      ARG  42  -9.099  -1.931  -9.843
  364   HH12  ARG  42          2HH1      ARG  42 -10.290  -1.072 -10.769
  365   HH21  ARG  42          1HH2      ARG  42  -9.433   2.080  -9.438
  366   HH22  ARG  42          2HH2      ARG  42 -10.490   1.233 -10.530
  367    H    GLN  43           H        GLN  43  -6.666  -0.929  -2.839
  368    HA   GLN  43           HA       GLN  43  -8.484   0.985  -1.864
  369    HB2  GLN  43           1HB      GLN  43  -7.003  -1.169  -0.344
  370    HB3  GLN  43           2HB      GLN  43  -8.360  -0.249   0.287
  371    HG2  GLN  43           1HG      GLN  43  -9.745  -1.158  -1.574
  372    HG3  GLN  43           2HG      GLN  43  -8.382  -2.196  -2.002
  373   HE21  GLN  43          1HE2      GLN  43 -10.903  -1.568   0.279
  374   HE22  GLN  43          2HE2      GLN  43 -10.755  -3.050   1.164
  375    H    PHE  44           H        PHE  44  -5.041   0.649  -1.466
  376    HA   PHE  44           HA       PHE  44  -5.024   2.582   0.717
  377    HB2  PHE  44           1HB      PHE  44  -3.508   0.362   0.267
  378    HB3  PHE  44           2HB      PHE  44  -2.450   1.631  -0.342
  379    HD1  PHE  44           HD1      PHE  44  -4.533   0.752   2.594
  380    HD2  PHE  44           HD2      PHE  44  -1.093   2.781   1.139
  381    HE1  PHE  44           HE1      PHE  44  -3.860   1.223   4.900
  382    HE2  PHE  44           HE2      PHE  44  -0.404   3.271   3.445
  383    HZ   PHE  44           HZ       PHE  44  -1.794   2.490   5.340
  384    H    PHE  45           H        PHE  45  -3.605   2.191  -2.525
  385    HA   PHE  45           HA       PHE  45  -2.260   4.677  -2.378
  386    HB2  PHE  45           1HB      PHE  45  -1.763   2.489  -3.732
  387    HB3  PHE  45           2HB      PHE  45  -2.773   3.255  -4.952
  388    HD1  PHE  45           HD1      PHE  45   0.222   3.707  -2.872
  389    HD2  PHE  45           HD2      PHE  45  -1.892   4.923  -6.350
  390    HE1  PHE  45           HE1      PHE  45   2.183   5.015  -3.594
  391    HE2  PHE  45           HE2      PHE  45   0.060   6.233  -7.089
  392    HZ   PHE  45           HZ       PHE  45   2.102   6.281  -5.705
  393    H    GLU  46           H        GLU  46  -5.032   3.587  -4.371
  394    HA   GLU  46           HA       GLU  46  -5.253   6.294  -5.412
  395    HB2  GLU  46           1HB      GLU  46  -6.300   5.394  -7.221
  396    HB3  GLU  46           2HB      GLU  46  -5.451   3.957  -6.663
  397    HG2  GLU  46           1HG      GLU  46  -7.477   3.223  -5.496
  398    HG3  GLU  46           2HG      GLU  46  -8.324   4.641  -6.125
  399    H    GLU  47           H        GLU  47  -6.939   4.150  -3.262
  400    HA   GLU  47           HA       GLU  47  -9.371   5.640  -3.264
  401    HB2  GLU  47           1HB      GLU  47  -9.232   3.224  -2.729
  402    HB3  GLU  47           2HB      GLU  47  -8.423   3.662  -1.240
  403    HG2  GLU  47           1HG      GLU  47 -10.409   4.959  -0.566
  404    HG3  GLU  47           2HG      GLU  47 -11.228   4.391  -2.019
  405    H    PHE  48           H        PHE  48  -6.358   6.112  -1.813
  406    HA   PHE  48           HA       PHE  48  -7.192   7.479   0.541
  407    HB2  PHE  48           1HB      PHE  48  -4.742   6.693  -0.631
  408    HB3  PHE  48           2HB      PHE  48  -4.677   8.439  -0.471
  409    HD1  PHE  48           HD1      PHE  48  -4.852   9.484   1.767
  410    HD2  PHE  48           HD2      PHE  48  -4.656   5.269   1.246
  411    HE1  PHE  48           HE1      PHE  48  -4.266   9.222   4.142
  412    HE2  PHE  48           HE2      PHE  48  -4.069   4.995   3.613
  413    HZ   PHE  48           HZ       PHE  48  -3.875   6.973   5.070
  414    H    GLU  49           H        GLU  49  -7.172   9.742   0.907
  415    HA   GLU  49           HA       GLU  49  -8.339  11.313  -1.127
  416    HB2  GLU  49           1HB      GLU  49  -8.096  13.191   0.435
  417    HB3  GLU  49           2HB      GLU  49  -8.730  11.763   1.239
  418    HG2  GLU  49           1HG      GLU  49  -6.557  11.290   2.190
  419    HG3  GLU  49           2HG      GLU  49  -5.855  12.661   1.329
  420    H    GLN  50           H        GLN  50  -5.182  10.382  -0.779
  421    HA   GLN  50           HA       GLN  50  -3.886  12.783  -1.694
  422    HB2  GLN  50           1HB      GLN  50  -2.839   9.947  -1.569
  423    HB3  GLN  50           2HB      GLN  50  -1.873  11.399  -1.788
  424    HG2  GLN  50           1HG      GLN  50  -2.525  12.180   0.423
  425    HG3  GLN  50           2HG      GLN  50  -3.509  10.739   0.657
  426   HE21  GLN  50          1HE2      GLN  50  -2.393   8.678   0.880
  427   HE22  GLN  50          2HE2      GLN  50  -0.742   8.643   1.372
  428    H    ARG  51           H        ARG  51  -5.807  10.512  -3.159
  429    HA   ARG  51           HA       ARG  51  -4.550  10.114  -5.651
  430    HB2  ARG  51           1HB      ARG  51  -6.674   9.353  -6.443
  431    HB3  ARG  51           2HB      ARG  51  -6.469   8.787  -4.787
  432    HG2  ARG  51           1HG      ARG  51  -7.915  10.473  -3.949
  433    HG3  ARG  51           2HG      ARG  51  -7.948  11.271  -5.520
  434    HD2  ARG  51           1HD      ARG  51  -9.133   9.369  -6.481
  435    HD3  ARG  51           2HD      ARG  51  -9.047   8.522  -4.934
  436    HE   ARG  51           HE       ARG  51 -10.314  11.084  -4.726
  437   HH11  ARG  51          1HH1      ARG  51 -10.866   7.718  -5.573
  438   HH12  ARG  51          2HH1      ARG  51 -12.565   7.784  -5.220
  439   HH21  ARG  51          1HH2      ARG  51 -12.540  11.149  -4.244
  440   HH22  ARG  51          2HH2      ARG  51 -13.507   9.721  -4.429
  441    H    LYS  52           H        LYS  52  -5.357  10.928  -7.725
  442    HA   LYS  52           HA       LYS  52  -5.746  12.567  -9.231
  443    HB2  LYS  52           1HB      LYS  52  -7.429  13.722  -7.001
  444    HB3  LYS  52           2HB      LYS  52  -7.430  14.302  -8.660
  445    HG2  LYS  52           1HG      LYS  52  -8.379  12.273  -9.457
  446    HG3  LYS  52           2HG      LYS  52  -8.147  11.484  -7.894
  447    HD2  LYS  52           1HD      LYS  52 -10.484  12.172  -8.256
  448    HD3  LYS  52           2HD      LYS  52  -9.758  12.978  -6.865
  449    HE2  LYS  52           1HE      LYS  52 -11.021  14.595  -8.099
  450    HE3  LYS  52           2HE      LYS  52  -9.309  14.947  -8.319
  451    HZ1  LYS  52           3HZ      LYS  52  -9.397  13.859 -10.478
  452    HZ2  LYS  52           1HZ      LYS  52 -10.527  15.122 -10.395
  453    HZ3  LYS  52           2HZ      LYS  52 -11.043  13.511 -10.260
  Start of MODEL   40
    1    H1   MET   1           1H       MET   1 -13.324  -9.432   2.993
    2    H2   MET   1           2H       MET   1 -12.173 -10.558   2.470
    3    H3   MET   1           3H       MET   1 -11.952  -8.913   2.151
    4    HA   MET   1           HA       MET   1 -11.771  -8.450   4.510
    5    HB2  MET   1           1HB      MET   1 -11.965 -11.462   4.718
    6    HB3  MET   1           2HB      MET   1 -11.376 -10.433   6.014
    7    HG2  MET   1           1HG      MET   1 -13.656 -10.978   6.446
    8    HG3  MET   1           2HG      MET   1 -13.554  -9.269   6.034
    9    HE1  MET   1           3HE      MET   1 -16.289 -10.949   6.088
   10    HE2  MET   1           1HE      MET   1 -17.065 -10.319   4.632
   11    HE3  MET   1           2HE      MET   1 -16.190  -9.229   5.709
   12    H    LYS   2           H        LYS   2 -10.300 -11.454   3.225
   13    HA   LYS   2           HA       LYS   2  -7.658 -10.435   3.794
   14    HB2  LYS   2           1HB      LYS   2  -8.656 -12.944   2.471
   15    HB3  LYS   2           2HB      LYS   2  -6.957 -12.506   2.420
   16    HG2  LYS   2           1HG      LYS   2  -7.182 -14.015   4.195
   17    HG3  LYS   2           2HG      LYS   2  -7.038 -12.426   4.944
   18    HD2  LYS   2           1HD      LYS   2  -9.387 -12.339   5.365
   19    HD3  LYS   2           2HD      LYS   2  -9.663 -13.796   4.406
   20    HE2  LYS   2           1HE      LYS   2  -8.250 -15.052   6.020
   21    HE3  LYS   2           2HE      LYS   2  -8.167 -13.597   7.016
   22    HZ1  LYS   2           3HZ      LYS   2 -10.522 -13.665   7.328
   23    HZ2  LYS   2           1HZ      LYS   2  -9.895 -15.192   7.719
   24    HZ3  LYS   2           2HZ      LYS   2 -10.690 -14.956   6.239
   25    H    GLN   3           H        GLN   3  -7.660  -8.521   2.590
   26    HA   GLN   3           HA       GLN   3  -7.734  -8.847  -0.336
   27    HB2  GLN   3           1HB      GLN   3  -7.568  -6.234   1.166
   28    HB3  GLN   3           2HB      GLN   3  -8.019  -6.481  -0.513
   29    HG2  GLN   3           1HG      GLN   3  -9.625  -7.166   1.936
   30    HG3  GLN   3           2HG      GLN   3  -9.976  -5.937   0.727
   31   HE21  GLN   3          1HE2      GLN   3 -10.826  -6.554  -1.254
   32   HE22  GLN   3          2HE2      GLN   3 -11.510  -8.124  -1.512
   33    H    TRP   4           H        TRP   4  -5.906  -7.110   2.135
   34    HA   TRP   4           HA       TRP   4  -3.420  -7.696   0.699
   35    HB2  TRP   4           1HB      TRP   4  -2.636  -6.196   2.821
   36    HB3  TRP   4           2HB      TRP   4  -3.077  -5.518   1.263
   37    HD1  TRP   4           HD1      TRP   4  -4.638  -3.539   1.488
   38    HE1  TRP   4           HE1      TRP   4  -6.483  -2.777   3.121
   39    HE3  TRP   4           HE3      TRP   4  -4.552  -7.511   4.708
   40    HZ2  TRP   4           HZ2      TRP   4  -7.729  -3.745   5.454
   41    HZ3  TRP   4           HZ3      TRP   4  -6.108  -7.517   6.615
   42    HH2  TRP   4           HH2      TRP   4  -7.664  -5.670   6.978
   43    H    SER   5           H        SER   5  -1.574  -8.076   2.415
   44    HA   SER   5           HA       SER   5  -2.446 -10.166   4.228
   45    HB2  SER   5           1HB      SER   5   0.334  -9.032   3.817
   46    HB3  SER   5           2HB      SER   5  -0.078 -10.523   4.662
   47    HG   SER   5           HG       SER   5  -1.084 -10.402   2.106
   48    H    GLU   6           H        GLU   6  -2.950  -9.784   6.273
   49    HA   GLU   6           HA       GLU   6  -3.597  -7.485   7.428
   50    HB2  GLU   6           1HB      GLU   6  -3.874  -9.775   8.387
   51    HB3  GLU   6           2HB      GLU   6  -2.218  -9.681   8.973
   52    HG2  GLU   6           1HG      GLU   6  -3.767  -9.177  10.746
   53    HG3  GLU   6           2HG      GLU   6  -2.823  -7.745  10.337
   54    H    ASN   7           H        ASN   7  -0.303  -8.826   7.788
   55    HA   ASN   7           HA       ASN   7   0.560  -6.614   9.401
   56    HB2  ASN   7           1HB      ASN   7   2.046  -8.888   8.108
   57    HB3  ASN   7           2HB      ASN   7   2.848  -7.655   9.074
   58   HD21  ASN   7          1HD2      ASN   7   2.445  -7.552  11.284
   59   HD22  ASN   7          2HD2      ASN   7   1.747  -8.874  12.152
   60    H    VAL   8           H        VAL   8   0.528  -7.260   6.010
   61    HA   VAL   8           HA       VAL   8   2.665  -5.539   5.289
   62    HB   VAL   8           HB       VAL   8   0.297  -6.432   3.628
   63   HG11  VAL   8          1HG1      VAL   8   1.920  -5.847   1.740
   64   HG12  VAL   8          2HG1      VAL   8   2.784  -4.890   2.936
   65   HG13  VAL   8          3HG1      VAL   8   1.103  -4.515   2.547
   66   HG21  VAL   8          3HG2      VAL   8   1.686  -8.286   4.362
   67   HG22  VAL   8          1HG2      VAL   8   3.136  -7.455   3.801
   68   HG23  VAL   8          2HG2      VAL   8   1.924  -7.997   2.638
   69    H    GLU   9           H        GLU   9  -0.850  -5.114   5.407
   70    HA   GLU   9           HA       GLU   9  -1.144  -2.633   4.287
   71    HB2  GLU   9           1HB      GLU   9  -3.015  -4.023   5.068
   72    HB3  GLU   9           2HB      GLU   9  -2.570  -3.683   6.737
   73    HG2  GLU   9           1HG      GLU   9  -2.838  -1.188   5.957
   74    HG3  GLU   9           2HG      GLU   9  -3.853  -1.919   4.713
   75    H    GLU  10           H        GLU  10  -0.363  -3.362   7.659
   76    HA   GLU  10           HA       GLU  10  -0.352  -0.735   8.612
   77    HB2  GLU  10           1HB      GLU  10  -0.453  -2.441  10.220
   78    HB3  GLU  10           2HB      GLU  10   0.956  -3.271   9.566
   79    HG2  GLU  10           1HG      GLU  10   2.417  -1.942  10.664
   80    HG3  GLU  10           2HG      GLU  10   1.375  -0.521  10.560
   81    H    LYS  11           H        LYS  11   2.457  -2.761   7.744
   82    HA   LYS  11           HA       LYS  11   4.325  -0.663   8.124
   83    HB2  LYS  11           1HB      LYS  11   4.892  -3.066   8.270
   84    HB3  LYS  11           2HB      LYS  11   4.636  -3.222   6.538
   85    HG2  LYS  11           1HG      LYS  11   6.482  -1.719   6.096
   86    HG3  LYS  11           2HG      LYS  11   6.709  -1.455   7.825
   87    HD2  LYS  11           1HD      LYS  11   8.348  -3.046   7.042
   88    HD3  LYS  11           2HD      LYS  11   7.191  -3.869   8.090
   89    HE2  LYS  11           1HE      LYS  11   6.004  -4.694   6.106
   90    HE3  LYS  11           2HE      LYS  11   7.185  -3.888   5.074
   91    HZ1  LYS  11           3HZ      LYS  11   7.824  -6.018   7.045
   92    HZ2  LYS  11           1HZ      LYS  11   8.915  -5.291   5.967
   93    HZ3  LYS  11           2HZ      LYS  11   7.656  -6.265   5.378
   94    H    LEU  12           H        LEU  12   2.498  -1.797   5.401
   95    HA   LEU  12           HA       LEU  12   3.879  -0.570   3.303
   96    HB2  LEU  12           1HB      LEU  12   1.929  -2.282   3.387
   97    HB3  LEU  12           2HB      LEU  12   0.902  -0.877   3.369
   98    HG   LEU  12           HG       LEU  12   1.232  -2.005   1.162
   99   HD11  LEU  12          1HD1      LEU  12   1.620   0.098  -0.094
  100   HD12  LEU  12          2HD1      LEU  12   2.005   0.869   1.447
  101   HD13  LEU  12          3HD1      LEU  12   0.398   0.200   1.172
  102   HD21  LEU  12          3HD2      LEU  12   3.935  -0.722   1.053
  103   HD22  LEU  12          1HD2      LEU  12   3.221  -1.906  -0.036
  104   HD23  LEU  12          2HD2      LEU  12   3.725  -2.391   1.580
  105    H    LYS  13           H        LYS  13   1.145   0.578   5.248
  106    HA   LYS  13           HA       LYS  13   0.824   3.112   4.162
  107    HB2  LYS  13           1HB      LYS  13  -0.737   2.255   5.792
  108    HB3  LYS  13           2HB      LYS  13   0.524   2.159   7.014
  109    HG2  LYS  13           1HG      LYS  13   0.736   4.664   6.818
  110    HG3  LYS  13           2HG      LYS  13  -0.728   4.622   5.843
  111    HD2  LYS  13           1HD      LYS  13  -1.335   5.152   8.101
  112    HD3  LYS  13           2HD      LYS  13  -1.911   3.529   7.730
  113    HE2  LYS  13           1HE      LYS  13   0.709   4.017   9.161
  114    HE3  LYS  13           2HE      LYS  13  -0.828   3.902  10.019
  115    HZ1  LYS  13           3HZ      LYS  13   0.110   1.769  10.072
  116    HZ2  LYS  13           1HZ      LYS  13   0.514   1.796   8.425
  117    HZ3  LYS  13           2HZ      LYS  13  -1.109   1.684   8.895
  118    H    GLU  14           H        GLU  14   3.026   2.011   6.681
  119    HA   GLU  14           HA       GLU  14   3.938   4.665   7.252
  120    HB2  GLU  14           1HB      GLU  14   4.988   1.993   8.194
  121    HB3  GLU  14           2HB      GLU  14   5.419   3.564   8.865
  122    HG2  GLU  14           1HG      GLU  14   3.098   3.933   9.518
  123    HG3  GLU  14           2HG      GLU  14   2.655   2.369   8.840
  124    H    PHE  15           H        PHE  15   4.880   2.165   5.093
  125    HA   PHE  15           HA       PHE  15   7.579   3.093   4.759
  126    HB2  PHE  15           1HB      PHE  15   6.840   0.727   4.440
  127    HB3  PHE  15           2HB      PHE  15   5.941   1.244   3.022
  128    HD1  PHE  15           HD1      PHE  15   9.374   1.295   4.453
  129    HD2  PHE  15           HD2      PHE  15   6.964   1.124   0.946
  130    HE1  PHE  15           HE1      PHE  15  11.390   0.934   3.090
  131    HE2  PHE  15           HE2      PHE  15   8.977   0.763  -0.418
  132    HZ   PHE  15           HZ       PHE  15  11.191   0.669   0.648
  133    H    VAL  16           H        VAL  16   4.484   3.853   3.451
  134    HA   VAL  16           HA       VAL  16   5.671   5.348   1.240
  135    HB   VAL  16           HB       VAL  16   2.763   4.924   1.953
  136   HG11  VAL  16          1HG1      VAL  16   2.262   5.844  -0.247
  137   HG12  VAL  16          2HG1      VAL  16   3.978   6.136  -0.531
  138   HG13  VAL  16          3HG1      VAL  16   3.130   7.026   0.734
  139   HG21  VAL  16          3HG2      VAL  16   4.470   3.685  -0.197
  140   HG22  VAL  16          1HG2      VAL  16   2.741   3.425   0.020
  141   HG23  VAL  16          2HG2      VAL  16   3.880   2.878   1.253
  142    H    LYS  17           H        LYS  17   3.971   5.879   4.282
  143    HA   LYS  17           HA       LYS  17   3.797   8.727   3.667
  144    HB2  LYS  17           1HB      LYS  17   1.807   7.353   4.474
  145    HB3  LYS  17           2HB      LYS  17   2.574   7.375   6.055
  146    HG2  LYS  17           1HG      LYS  17   0.998   9.126   6.061
  147    HG3  LYS  17           2HG      LYS  17   2.578   9.894   5.876
  148    HD2  LYS  17           1HD      LYS  17   2.200   9.990   3.430
  149    HD3  LYS  17           2HD      LYS  17   0.589   9.319   3.680
  150    HE2  LYS  17           1HE      LYS  17   1.642  11.947   4.708
  151    HE3  LYS  17           2HE      LYS  17   0.451  11.711   3.431
  152    HZ1  LYS  17           3HZ      LYS  17  -0.859  10.487   5.275
  153    HZ2  LYS  17           1HZ      LYS  17  -0.840  12.185   5.257
  154    HZ3  LYS  17           2HZ      LYS  17   0.154  11.349   6.334
  155    H    ARG  18           H        ARG  18   5.212   6.534   6.047
  156    HA   ARG  18           HA       ARG  18   6.169   8.801   7.594
  157    HB2  ARG  18           1HB      ARG  18   6.458   5.832   8.066
  158    HB3  ARG  18           2HB      ARG  18   7.103   7.071   9.133
  159    HG2  ARG  18           1HG      ARG  18   4.792   7.920   9.456
  160    HG3  ARG  18           2HG      ARG  18   4.203   6.555   8.507
  161    HD2  ARG  18           1HD      ARG  18   4.020   6.068  10.877
  162    HD3  ARG  18           2HD      ARG  18   5.227   5.016  10.133
  163    HE   ARG  18           HE       ARG  18   6.415   7.376  11.198
  164   HH11  ARG  18          1HH1      ARG  18   5.205   4.202  12.145
  165   HH12  ARG  18          2HH1      ARG  18   6.194   4.149  13.578
  166   HH21  ARG  18          1HH2      ARG  18   7.691   7.260  13.062
  167   HH22  ARG  18          2HH2      ARG  18   7.587   5.864  14.096
  168    H    HIS  19           H        HIS  19   7.315   6.517   5.268
  169    HA   HIS  19           HA       HIS  19  10.084   7.340   5.597
  170    HB2  HIS  19           1HB      HIS  19   8.716   5.480   3.648
  171    HB3  HIS  19           2HB      HIS  19  10.423   5.893   3.530
  172    HD1  HIS  19           HD1      HIS  19   8.087   4.420   6.190
  173    HD2  HIS  19           HD2      HIS  19  11.998   4.162   4.807
  174    HE1  HIS  19           HE1      HIS  19   9.195   2.596   7.538
  175    H    GLN  20           H        GLN  20   8.178   9.328   5.096
  176    HA   GLN  20           HA       GLN  20   7.771  11.174   3.919
  177    HB2  GLN  20           1HB      GLN  20  10.216  10.306   2.417
  178    HB3  GLN  20           2HB      GLN  20   9.371  11.810   2.070
  179    HG2  GLN  20           1HG      GLN  20   9.730  12.434   4.471
  180    HG3  GLN  20           2HG      GLN  20  10.753  11.007   4.618
  181   HE21  GLN  20          1HE2      GLN  20  10.552  13.054   1.778
  182   HE22  GLN  20          2HE2      GLN  20  12.168  13.674   1.878
  183    H    ARG  21           H        ARG  21   8.659   8.668   1.572
  184    HA   ARG  21           HA       ARG  21   6.264   8.099   0.463
  185    HB2  ARG  21           1HB      ARG  21   6.009  10.536   0.006
  186    HB3  ARG  21           2HB      ARG  21   7.437  10.474  -1.014
  187    HG2  ARG  21           1HG      ARG  21   6.321   9.027  -2.578
  188    HG3  ARG  21           2HG      ARG  21   4.916   8.909  -1.518
  189    HD2  ARG  21           1HD      ARG  21   5.928  11.442  -2.801
  190    HD3  ARG  21           2HD      ARG  21   4.558  10.489  -3.367
  191    HE   ARG  21           HE       ARG  21   4.541  11.595  -0.642
  192   HH11  ARG  21          1HH1      ARG  21   3.218  11.501  -3.882
  193   HH12  ARG  21          2HH1      ARG  21   1.769  12.358  -3.455
  194   HH21  ARG  21          1HH2      ARG  21   2.668  12.720  -0.068
  195   HH22  ARG  21          2HH2      ARG  21   1.447  13.057  -1.263
  196    H    ILE  22           H        ILE  22   6.408   6.910  -1.498
  197    HA   ILE  22           HA       ILE  22   9.054   6.636  -2.720
  198    HB   ILE  22           HB       ILE  22   8.880   4.803  -1.091
  199   HG12  ILE  22          1HG1      ILE  22   8.538   3.764  -3.913
  200   HG13  ILE  22          2HG1      ILE  22  10.032   4.448  -3.276
  201   HG21  ILE  22          1HG2      ILE  22   6.355   4.082  -2.575
  202   HG22  ILE  22          2HG2      ILE  22   6.511   4.536  -0.878
  203   HG23  ILE  22          3HG2      ILE  22   7.182   3.010  -1.446
  204   HD11  ILE  22          3HD1      ILE  22  10.101   2.031  -3.273
  205   HD12  ILE  22          1HD1      ILE  22   8.645   1.975  -2.281
  206   HD13  ILE  22          2HD1      ILE  22  10.133   2.655  -1.624
  207    H    THR  23           H        THR  23   8.963   5.943  -4.933
  208    HA   THR  23           HA       THR  23   6.799   6.956  -6.388
  209    HB   THR  23           HB       THR  23   7.831   5.875  -8.364
  210    HG1  THR  23           HG1      THR  23  10.057   4.991  -6.996
  211   HG21  THR  23          3HG2      THR  23   9.979   7.065  -8.264
  212   HG22  THR  23          1HG2      THR  23   9.789   7.251  -6.520
  213   HG23  THR  23          2HG2      THR  23   8.663   8.045  -7.620
  214    H    GLN  24           H        GLN  24   5.181   5.970  -7.604
  215    HA   GLN  24           HA       GLN  24   3.809   3.864  -6.389
  216    HB2  GLN  24           1HB      GLN  24   2.676   5.518  -7.740
  217    HB3  GLN  24           2HB      GLN  24   3.552   5.004  -9.174
  218    HG2  GLN  24           1HG      GLN  24   2.452   2.780  -8.964
  219    HG3  GLN  24           2HG      GLN  24   1.477   3.445  -7.655
  220   HE21  GLN  24          1HE2      GLN  24  -0.434   3.103  -8.807
  221   HE22  GLN  24          2HE2      GLN  24  -0.879   4.087 -10.160
  222    H    GLU  25           H        GLU  25   5.999   3.849  -9.174
  223    HA   GLU  25           HA       GLU  25   5.441   1.222 -10.005
  224    HB2  GLU  25           1HB      GLU  25   6.612   2.821 -11.434
  225    HB3  GLU  25           2HB      GLU  25   7.984   2.818 -10.333
  226    HG2  GLU  25           1HG      GLU  25   8.610   0.657 -10.916
  227    HG3  GLU  25           2HG      GLU  25   7.036   0.290 -11.618
  228    H    GLU  26           H        GLU  26   8.051   2.457  -7.914
  229    HA   GLU  26           HA       GLU  26   9.101  -0.091  -7.289
  230    HB2  GLU  26           1HB      GLU  26   9.238   2.491  -5.726
  231    HB3  GLU  26           2HB      GLU  26  10.202   1.062  -5.391
  232    HG2  GLU  26           1HG      GLU  26  11.212   1.257  -7.626
  233    HG3  GLU  26           2HG      GLU  26  10.284   2.732  -7.892
  234    H    LEU  27           H        LEU  27   6.591   1.907  -5.881
  235    HA   LEU  27           HA       LEU  27   6.133   0.453  -3.533
  236    HB2  LEU  27           1HB      LEU  27   5.196   2.724  -4.195
  237    HB3  LEU  27           2HB      LEU  27   4.029   1.861  -5.172
  238    HG   LEU  27           HG       LEU  27   3.225   2.658  -2.907
  239   HD11  LEU  27          1HD1      LEU  27   2.030   0.941  -4.176
  240   HD12  LEU  27          2HD1      LEU  27   1.941   0.651  -2.438
  241   HD13  LEU  27          3HD1      LEU  27   3.037  -0.303  -3.439
  242   HD21  LEU  27          3HD2      LEU  27   3.816   1.263  -0.979
  243   HD22  LEU  27          1HD2      LEU  27   5.216   2.122  -1.623
  244   HD23  LEU  27          2HD2      LEU  27   4.996   0.406  -1.971
  245    H    HIS  28           H        HIS  28   4.731   0.136  -6.786
  246    HA   HIS  28           HA       HIS  28   2.934  -1.933  -6.107
  247    HB2  HIS  28           1HB      HIS  28   3.024  -0.413  -8.226
  248    HB3  HIS  28           2HB      HIS  28   4.089  -1.660  -8.869
  249    HD1  HIS  28           HD1      HIS  28   2.739  -4.224  -8.089
  250    HD2  HIS  28           HD2      HIS  28   0.616  -0.862  -9.290
  251    HE1  HIS  28           HE1      HIS  28   0.463  -5.046  -8.794
  252    H    GLN  29           H        GLN  29   6.269  -1.935  -7.207
  253    HA   GLN  29           HA       GLN  29   6.539  -4.732  -7.530
  254    HB2  GLN  29           1HB      GLN  29   8.526  -2.539  -6.952
  255    HB3  GLN  29           2HB      GLN  29   9.012  -4.222  -7.122
  256    HG2  GLN  29           1HG      GLN  29   7.495  -2.706  -9.226
  257    HG3  GLN  29           2HG      GLN  29   9.254  -2.832  -9.180
  258   HE21  GLN  29          1HE2      GLN  29   6.258  -4.597  -9.603
  259   HE22  GLN  29          2HE2      GLN  29   6.971  -5.977 -10.372
  260    H    TYR  30           H        TYR  30   7.183  -2.570  -4.807
  261    HA   TYR  30           HA       TYR  30   8.016  -4.587  -3.007
  262    HB2  TYR  30           1HB      TYR  30   8.445  -2.126  -2.767
  263    HB3  TYR  30           2HB      TYR  30   6.748  -1.923  -2.348
  264    HD1  TYR  30           HD1      TYR  30   9.524  -4.208  -1.294
  265    HD2  TYR  30           HD2      TYR  30   6.385  -1.592  -0.105
  266    HE1  TYR  30           HE1      TYR  30  10.075  -4.630   1.067
  267    HE2  TYR  30           HE2      TYR  30   6.925  -2.009   2.256
  268    HH   TYR  30           HH       TYR  30   9.785  -3.597   3.249
  269    H    ALA  31           H        ALA  31   4.902  -3.356  -3.982
  270    HA   ALA  31           HA       ALA  31   3.307  -4.382  -1.914
  271    HB1  ALA  31           3HB      ALA  31   2.605  -4.003  -4.830
  272    HB2  ALA  31           1HB      ALA  31   2.462  -2.783  -3.563
  273    HB3  ALA  31           2HB      ALA  31   1.452  -4.228  -3.515
  274    H    GLN  32           H        GLN  32   4.046  -5.755  -5.106
  275    HA   GLN  32           HA       GLN  32   2.778  -8.237  -4.611
  276    HB2  GLN  32           1HB      GLN  32   4.911  -7.486  -6.612
  277    HB3  GLN  32           2HB      GLN  32   4.056  -9.020  -6.604
  278    HG2  GLN  32           1HG      GLN  32   1.945  -7.854  -6.968
  279    HG3  GLN  32           2HG      GLN  32   2.791  -6.310  -6.969
  280   HE21  GLN  32          1HE2      GLN  32   4.116  -9.194  -8.421
  281   HE22  GLN  32          2HE2      GLN  32   3.967  -8.665 -10.066
  282    H    ARG  33           H        ARG  33   5.980  -7.008  -4.028
  283    HA   ARG  33           HA       ARG  33   7.296  -9.414  -3.435
  284    HB2  ARG  33           1HB      ARG  33   8.475  -7.305  -3.762
  285    HB3  ARG  33           2HB      ARG  33   7.738  -6.646  -2.311
  286    HG2  ARG  33           1HG      ARG  33   8.964  -8.163  -0.919
  287    HG3  ARG  33           2HG      ARG  33   9.573  -9.032  -2.330
  288    HD2  ARG  33           1HD      ARG  33  10.165  -6.161  -1.616
  289    HD3  ARG  33           2HD      ARG  33  11.272  -7.525  -1.442
  290    HE   ARG  33           HE       ARG  33  10.467  -7.487  -4.092
  291   HH11  ARG  33          1HH1      ARG  33  12.225  -5.373  -1.924
  292   HH12  ARG  33          2HH1      ARG  33  13.184  -4.673  -3.194
  293   HH21  ARG  33          1HH2      ARG  33  11.699  -6.566  -5.748
  294   HH22  ARG  33          2HH2      ARG  33  12.899  -5.364  -5.368
  295    H    LEU  34           H        LEU  34   5.368  -7.264  -1.340
  296    HA   LEU  34           HA       LEU  34   5.896  -8.937   0.961
  297    HB2  LEU  34           1HB      LEU  34   4.062  -6.577   0.614
  298    HB3  LEU  34           2HB      LEU  34   4.326  -7.416   2.128
  299    HG   LEU  34           HG       LEU  34   6.303  -5.757   0.579
  300   HD11  LEU  34          1HD1      LEU  34   4.697  -4.587   2.025
  301   HD12  LEU  34          2HD1      LEU  34   6.359  -4.422   2.584
  302   HD13  LEU  34          3HD1      LEU  34   5.262  -5.538   3.396
  303   HD21  LEU  34          3HD2      LEU  34   6.819  -7.448   3.023
  304   HD22  LEU  34          1HD2      LEU  34   7.954  -6.330   2.271
  305   HD23  LEU  34          2HD2      LEU  34   7.432  -7.772   1.399
  306    H    GLY  35           H        GLY  35   3.478  -8.708  -1.490
  307    HA2  GLY  35           1HA      GLY  35   2.165 -10.806  -1.710
  308    HA3  GLY  35           2HA      GLY  35   1.864 -10.682   0.013
  309    H    LEU  36           H        LEU  36   1.782  -7.980  -2.247
  310    HA   LEU  36           HA       LEU  36  -1.063  -7.699  -1.611
  311    HB2  LEU  36           1HB      LEU  36   0.802  -5.661  -2.821
  312    HB3  LEU  36           2HB      LEU  36  -0.877  -5.401  -2.383
  313    HG   LEU  36           HG       LEU  36   1.394  -5.955  -0.480
  314   HD11  LEU  36          1HD1      LEU  36   0.921  -3.684   0.319
  315   HD12  LEU  36          2HD1      LEU  36  -0.292  -3.498  -0.948
  316   HD13  LEU  36          3HD1      LEU  36   1.407  -3.696  -1.379
  317   HD21  LEU  36          3HD2      LEU  36  -0.653  -7.013   0.300
  318   HD22  LEU  36          1HD2      LEU  36  -1.539  -5.507   0.064
  319   HD23  LEU  36          2HD2      LEU  36  -0.272  -5.603   1.287
  320    H    ASN  37           H        ASN  37  -2.533  -8.021  -3.036
  321    HA   ASN  37           HA       ASN  37  -1.835  -8.177  -5.866
  322    HB2  ASN  37           1HB      ASN  37  -4.277  -9.031  -6.021
  323    HB3  ASN  37           2HB      ASN  37  -3.064 -10.101  -5.334
  324   HD21  ASN  37          1HD2      ASN  37  -4.392  -7.368  -3.585
  325   HD22  ASN  37          2HD2      ASN  37  -5.274  -8.310  -2.423
  326    H    GLU  38           H        GLU  38  -3.405  -7.134  -7.387
  327    HA   GLU  38           HA       GLU  38  -3.340  -4.392  -6.843
  328    HB2  GLU  38           1HB      GLU  38  -4.897  -5.858  -8.975
  329    HB3  GLU  38           2HB      GLU  38  -4.611  -4.122  -8.950
  330    HG2  GLU  38           1HG      GLU  38  -2.142  -4.659  -8.933
  331    HG3  GLU  38           2HG      GLU  38  -2.597  -6.326  -9.278
  332    H    GLU  39           H        GLU  39  -5.738  -6.679  -5.992
  333    HA   GLU  39           HA       GLU  39  -8.040  -5.142  -5.731
  334    HB2  GLU  39           1HB      GLU  39  -8.064  -7.520  -5.345
  335    HB3  GLU  39           2HB      GLU  39  -6.903  -7.368  -4.034
  336    HG2  GLU  39           1HG      GLU  39  -8.982  -7.728  -3.014
  337    HG3  GLU  39           2HG      GLU  39  -8.644  -6.009  -2.815
  338    H    ALA  40           H        ALA  40  -5.513  -5.785  -3.333
  339    HA   ALA  40           HA       ALA  40  -6.509  -3.866  -1.465
  340    HB1  ALA  40           3HB      ALA  40  -4.504  -4.418  -0.176
  341    HB2  ALA  40           1HB      ALA  40  -3.878  -5.336  -1.542
  342    HB3  ALA  40           2HB      ALA  40  -5.345  -5.871  -0.719
  343    H    ILE  41           H        ILE  41  -4.178  -3.875  -4.033
  344    HA   ILE  41           HA       ILE  41  -2.727  -1.584  -3.234
  345    HB   ILE  41           HB       ILE  41  -3.109  -2.721  -6.007
  346   HG12  ILE  41          1HG1      ILE  41  -0.916  -3.151  -3.963
  347   HG13  ILE  41          2HG1      ILE  41  -2.178  -4.312  -4.362
  348   HG21  ILE  41          1HG2      ILE  41  -1.048  -1.537  -6.577
  349   HG22  ILE  41          2HG2      ILE  41  -0.997  -0.838  -4.959
  350   HG23  ILE  41          3HG2      ILE  41  -2.303  -0.409  -6.063
  351   HD11  ILE  41          3HD1      ILE  41  -1.304  -4.505  -6.615
  352   HD12  ILE  41          1HD1      ILE  41  -0.060  -4.865  -5.420
  353   HD13  ILE  41          2HD1      ILE  41  -0.063  -3.309  -6.251
  354    H    ARG  42           H        ARG  42  -5.426  -2.018  -5.537
  355    HA   ARG  42           HA       ARG  42  -5.921   0.711  -5.999
  356    HB2  ARG  42           1HB      ARG  42  -7.559  -1.779  -6.164
  357    HB3  ARG  42           2HB      ARG  42  -8.395  -0.235  -6.179
  358    HG2  ARG  42           1HG      ARG  42  -7.157   0.462  -8.110
  359    HG3  ARG  42           2HG      ARG  42  -6.236  -1.051  -8.104
  360    HD2  ARG  42           1HD      ARG  42  -8.373  -2.281  -8.376
  361    HD3  ARG  42           2HD      ARG  42  -9.212  -0.737  -8.495
  362    HE   ARG  42           HE       ARG  42  -7.074  -1.043 -10.399
  363   HH11  ARG  42          1HH1      ARG  42 -10.482  -1.593  -9.764
  364   HH12  ARG  42          2HH1      ARG  42 -10.892  -1.753 -11.444
  365   HH21  ARG  42          1HH2      ARG  42  -7.643  -1.207 -12.627
  366   HH22  ARG  42          2HH2      ARG  42  -9.300  -1.537 -13.060
  367    H    GLN  43           H        GLN  43  -7.330  -1.534  -3.674
  368    HA   GLN  43           HA       GLN  43  -9.121   0.046  -2.351
  369    HB2  GLN  43           1HB      GLN  43  -8.795  -2.370  -1.997
  370    HB3  GLN  43           2HB      GLN  43  -7.284  -2.037  -1.163
  371    HG2  GLN  43           1HG      GLN  43  -8.489  -0.853   0.593
  372    HG3  GLN  43           2HG      GLN  43 -10.012  -1.159  -0.242
  373   HE21  GLN  43          1HE2      GLN  43 -10.806  -2.277   1.565
  374   HE22  GLN  43          2HE2      GLN  43 -10.273  -3.881   1.936
  375    H    PHE  44           H        PHE  44  -5.631  -0.089  -1.848
  376    HA   PHE  44           HA       PHE  44  -5.661   1.469   0.543
  377    HB2  PHE  44           1HB      PHE  44  -3.885  -0.237  -0.422
  378    HB3  PHE  44           2HB      PHE  44  -3.218   1.216  -1.158
  379    HD1  PHE  44           HD1      PHE  44  -3.977  -0.474   2.003
  380    HD2  PHE  44           HD2      PHE  44  -2.106   2.872   0.157
  381    HE1  PHE  44           HE1      PHE  44  -2.845   0.052   4.119
  382    HE2  PHE  44           HE2      PHE  44  -0.968   3.404   2.272
  383    HZ   PHE  44           HZ       PHE  44  -1.337   1.991   4.260
  384    H    PHE  45           H        PHE  45  -4.989   2.188  -2.872
  385    HA   PHE  45           HA       PHE  45  -4.275   4.920  -2.224
  386    HB2  PHE  45           1HB      PHE  45  -4.466   3.446  -4.847
  387    HB3  PHE  45           2HB      PHE  45  -4.064   5.154  -4.733
  388    HD1  PHE  45           HD1      PHE  45  -2.196   5.431  -2.645
  389    HD2  PHE  45           HD2      PHE  45  -2.642   2.184  -5.359
  390    HE1  PHE  45           HE1      PHE  45   0.178   4.862  -2.350
  391    HE2  PHE  45           HE2      PHE  45  -0.275   1.609  -5.066
  392    HZ   PHE  45           HZ       PHE  45   1.145   2.947  -3.556
  393    H    GLU  46           H        GLU  46  -6.953   3.252  -3.841
  394    HA   GLU  46           HA       GLU  46  -8.231   5.610  -4.754
  395    HB2  GLU  46           1HB      GLU  46 -10.012   4.226  -5.430
  396    HB3  GLU  46           2HB      GLU  46  -8.587   3.205  -5.556
  397    HG2  GLU  46           1HG      GLU  46  -9.145   2.141  -3.439
  398    HG3  GLU  46           2HG      GLU  46 -10.571   3.168  -3.297
  399    H    GLU  47           H        GLU  47  -8.467   3.701  -1.852
  400    HA   GLU  47           HA       GLU  47 -10.326   5.669  -0.697
  401    HB2  GLU  47           1HB      GLU  47 -11.064   3.265  -0.849
  402    HB3  GLU  47           2HB      GLU  47  -9.757   2.848   0.247
  403    HG2  GLU  47           1HG      GLU  47 -10.749   4.239   1.979
  404    HG3  GLU  47           2HG      GLU  47 -12.043   4.706   0.875
  405    H    PHE  48           H        PHE  48  -7.655   6.340  -0.919
  406    HA   PHE  48           HA       PHE  48  -6.154   5.640   1.407
  407    HB2  PHE  48           1HB      PHE  48  -5.283   6.442  -0.890
  408    HB3  PHE  48           2HB      PHE  48  -5.640   8.062  -0.304
  409    HD1  PHE  48           HD1      PHE  48  -3.953   4.998   1.026
  410    HD2  PHE  48           HD2      PHE  48  -3.838   9.219   0.476
  411    HE1  PHE  48           HE1      PHE  48  -1.756   5.082   2.128
  412    HE2  PHE  48           HE2      PHE  48  -1.641   9.306   1.581
  413    HZ   PHE  48           HZ       PHE  48  -0.596   7.236   2.408
  414    H    GLU  49           H        GLU  49  -5.219   7.494   2.776
  415    HA   GLU  49           HA       GLU  49  -7.311   8.458   4.397
  416    HB2  GLU  49           1HB      GLU  49  -5.563   9.515   5.714
  417    HB3  GLU  49           2HB      GLU  49  -5.044   7.906   5.221
  418    HG2  GLU  49           1HG      GLU  49  -3.632   8.805   3.516
  419    HG3  GLU  49           2HG      GLU  49  -4.264  10.428   3.779
  420    H    GLN  50           H        GLN  50  -5.868   9.791   1.601
  421    HA   GLN  50           HA       GLN  50  -6.202  12.545   2.392
  422    HB2  GLN  50           1HB      GLN  50  -5.452  11.424  -0.309
  423    HB3  GLN  50           2HB      GLN  50  -5.291  13.096   0.210
  424    HG2  GLN  50           1HG      GLN  50  -3.847  10.794   1.495
  425    HG3  GLN  50           2HG      GLN  50  -3.178  11.772   0.195
  426   HE21  GLN  50          1HE2      GLN  50  -5.157  13.146   2.748
  427   HE22  GLN  50          2HE2      GLN  50  -3.881  14.009   3.524
  428    H    ARG  51           H        ARG  51  -8.366  10.277   1.430
  429    HA   ARG  51           HA       ARG  51 -10.046  12.334   0.184
  430    HB2  ARG  51           1HB      ARG  51 -10.048   9.370  -0.385
  431    HB3  ARG  51           2HB      ARG  51 -11.244  10.499  -1.011
  432    HG2  ARG  51           1HG      ARG  51  -9.466  11.710  -2.181
  433    HG3  ARG  51           2HG      ARG  51  -8.289  10.549  -1.568
  434    HD2  ARG  51           1HD      ARG  51  -9.421   8.751  -2.749
  435    HD3  ARG  51           2HD      ARG  51 -10.645   9.882  -3.328
  436    HE   ARG  51           HE       ARG  51  -8.435  11.017  -4.277
  437   HH11  ARG  51          1HH1      ARG  51  -9.441   7.661  -4.322
  438   HH12  ARG  51          2HH1      ARG  51  -8.608   7.304  -5.808
  439   HH21  ARG  51          1HH2      ARG  51  -7.329  10.549  -6.197
  440   HH22  ARG  51          2HH2      ARG  51  -7.379   8.942  -6.865
  441    H    LYS  52           H        LYS  52  -9.540  10.949   2.889
  442    HA   LYS  52           HA       LYS  52 -12.006  11.482   4.089
  443    HB2  LYS  52           1HB      LYS  52 -11.591   8.650   3.241
  444    HB3  LYS  52           2HB      LYS  52 -12.212   8.906   4.862
  445    HG2  LYS  52           1HG      LYS  52 -14.121  10.124   3.964
  446    HG3  LYS  52           2HG      LYS  52 -13.485   9.936   2.326
  447    HD2  LYS  52           1HD      LYS  52 -13.684   7.507   2.540
  448    HD3  LYS  52           2HD      LYS  52 -14.306   7.703   4.180
  449    HE2  LYS  52           1HE      LYS  52 -15.601   8.797   1.684
  450    HE3  LYS  52           2HE      LYS  52 -16.091   7.324   2.519
  451    HZ1  LYS  52           3HZ      LYS  52 -16.713   8.585   4.432
  452    HZ2  LYS  52           1HZ      LYS  52 -17.442   9.304   3.080
  453    HZ3  LYS  52           2HZ      LYS  52 -16.073  10.016   3.783
  Start of MODEL   41
    1    H1   MET   1           1H       MET   1 -11.241  -6.066   5.158
    2    H2   MET   1           2H       MET   1 -12.611  -6.616   5.994
    3    H3   MET   1           3H       MET   1 -11.871  -7.609   4.835
    4    HA   MET   1           HA       MET   1 -10.619  -6.706   7.362
    5    HB2  MET   1           1HB      MET   1 -12.453  -8.309   7.761
    6    HB3  MET   1           2HB      MET   1 -11.723  -9.425   6.612
    7    HG2  MET   1           1HG      MET   1  -9.704  -9.510   8.060
    8    HG3  MET   1           2HG      MET   1 -10.564  -8.526   9.243
    9    HE1  MET   1           3HE      MET   1 -10.027 -10.376  11.066
   10    HE2  MET   1           1HE      MET   1  -9.218 -11.378   9.862
   11    HE3  MET   1           2HE      MET   1 -10.460 -12.079  10.896
   12    H    LYS   2           H        LYS   2 -10.407  -9.463   5.081
   13    HA   LYS   2           HA       LYS   2  -7.553  -8.888   4.834
   14    HB2  LYS   2           1HB      LYS   2  -7.036 -11.309   5.179
   15    HB3  LYS   2           2HB      LYS   2  -7.560 -10.452   6.623
   16    HG2  LYS   2           1HG      LYS   2  -9.812 -11.420   6.343
   17    HG3  LYS   2           2HG      LYS   2  -9.222 -12.318   4.940
   18    HD2  LYS   2           1HD      LYS   2  -7.518 -13.374   6.406
   19    HD3  LYS   2           2HD      LYS   2  -8.249 -12.561   7.788
   20    HE2  LYS   2           1HE      LYS   2  -9.640 -14.525   5.971
   21    HE3  LYS   2           2HE      LYS   2  -8.975 -14.904   7.557
   22    HZ1  LYS   2           3HZ      LYS   2 -11.260 -14.557   7.859
   23    HZ2  LYS   2           1HZ      LYS   2 -11.274 -13.147   6.917
   24    HZ3  LYS   2           2HZ      LYS   2 -10.524 -13.146   8.435
   25    H    GLN   3           H        GLN   3  -7.172  -8.682   2.788
   26    HA   GLN   3           HA       GLN   3  -7.547 -11.000   1.096
   27    HB2  GLN   3           1HB      GLN   3  -9.578  -9.610   0.671
   28    HB3  GLN   3           2HB      GLN   3  -8.535  -8.282   0.182
   29    HG2  GLN   3           1HG      GLN   3  -9.525  -9.571  -1.694
   30    HG3  GLN   3           2HG      GLN   3  -7.764  -9.490  -1.718
   31   HE21  GLN   3          1HE2      GLN   3  -6.572 -11.333  -1.383
   32   HE22  GLN   3          2HE2      GLN   3  -7.265 -12.924  -1.386
   33    H    TRP   4           H        TRP   4  -5.407  -9.814   2.445
   34    HA   TRP   4           HA       TRP   4  -3.458  -9.572   0.436
   35    HB2  TRP   4           1HB      TRP   4  -2.691  -7.263   1.189
   36    HB3  TRP   4           2HB      TRP   4  -4.160  -7.257   0.223
   37    HD1  TRP   4           HD1      TRP   4  -2.980  -6.693   3.832
   38    HE1  TRP   4           HE1      TRP   4  -4.764  -5.363   5.101
   39    HE3  TRP   4           HE3      TRP   4  -6.595  -6.677   0.272
   40    HZ2  TRP   4           HZ2      TRP   4  -7.377  -4.421   4.641
   41    HZ3  TRP   4           HZ3      TRP   4  -8.725  -5.536   0.752
   42    HH2  TRP   4           HH2      TRP   4  -9.102  -4.431   2.895
   43    H    SER   5           H        SER   5  -1.310  -9.521   1.605
   44    HA   SER   5           HA       SER   5  -1.307 -10.933   3.996
   45    HB2  SER   5           1HB      SER   5   0.793  -8.954   3.051
   46    HB3  SER   5           2HB      SER   5   1.036 -10.256   4.215
   47    HG   SER   5           HG       SER   5   1.666 -10.645   1.932
   48    H    GLU   6           H        GLU   6  -2.169 -10.328   5.876
   49    HA   GLU   6           HA       GLU   6  -3.403  -7.925   6.357
   50    HB2  GLU   6           1HB      GLU   6  -3.801  -9.982   7.640
   51    HB3  GLU   6           2HB      GLU   6  -2.246  -9.787   8.436
   52    HG2  GLU   6           1HG      GLU   6  -3.041  -7.641   9.370
   53    HG3  GLU   6           2HG      GLU   6  -4.618  -7.950   8.646
   54    H    ASN   7           H        ASN   7  -0.103  -8.811   7.055
   55    HA   ASN   7           HA       ASN   7   0.591  -6.617   8.675
   56    HB2  ASN   7           1HB      ASN   7   2.310  -8.298   6.850
   57    HB3  ASN   7           2HB      ASN   7   2.926  -7.155   8.035
   58   HD21  ASN   7          1HD2      ASN   7   4.042  -8.763   9.103
   59   HD22  ASN   7          2HD2      ASN   7   3.252  -9.952  10.086
   60    H    VAL   8           H        VAL   8  -0.092  -6.815   5.319
   61    HA   VAL   8           HA       VAL   8   1.786  -4.850   4.432
   62    HB   VAL   8           HB       VAL   8  -0.720  -5.975   3.195
   63   HG11  VAL   8          1HG1      VAL   8   1.266  -4.125   1.895
   64   HG12  VAL   8          2HG1      VAL   8  -0.346  -3.654   2.437
   65   HG13  VAL   8          3HG1      VAL   8  -0.160  -4.843   1.147
   66   HG21  VAL   8          3HG2      VAL   8   1.069  -7.550   3.326
   67   HG22  VAL   8          1HG2      VAL   8   2.217  -6.376   2.688
   68   HG23  VAL   8          2HG2      VAL   8   0.936  -7.005   1.655
   69    H    GLU   9           H        GLU   9  -1.551  -4.806   5.490
   70    HA   GLU   9           HA       GLU   9  -2.320  -2.258   4.753
   71    HB2  GLU   9           1HB      GLU   9  -3.703  -4.093   5.799
   72    HB3  GLU   9           2HB      GLU   9  -3.025  -3.626   7.356
   73    HG2  GLU   9           1HG      GLU   9  -3.994  -1.387   7.093
   74    HG3  GLU   9           2HG      GLU   9  -4.686  -1.877   5.548
   75    H    GLU  10           H        GLU  10  -0.839  -3.272   7.810
   76    HA   GLU  10           HA       GLU  10  -0.527  -0.682   8.880
   77    HB2  GLU  10           1HB      GLU  10  -0.478  -2.419  10.448
   78    HB3  GLU  10           2HB      GLU  10   0.654  -3.376   9.498
   79    HG2  GLU  10           1HG      GLU  10   2.447  -1.841  10.026
   80    HG3  GLU  10           2HG      GLU  10   1.329  -0.809  10.928
   81    H    LYS  11           H        LYS  11   1.848  -2.864   7.370
   82    HA   LYS  11           HA       LYS  11   4.003  -1.077   7.800
   83    HB2  LYS  11           1HB      LYS  11   4.329  -3.461   7.712
   84    HB3  LYS  11           2HB      LYS  11   3.760  -3.520   6.048
   85    HG2  LYS  11           1HG      LYS  11   5.690  -2.271   5.299
   86    HG3  LYS  11           2HG      LYS  11   6.241  -2.066   6.960
   87    HD2  LYS  11           1HD      LYS  11   6.615  -4.453   7.169
   88    HD3  LYS  11           2HD      LYS  11   5.930  -4.732   5.566
   89    HE2  LYS  11           1HE      LYS  11   8.370  -4.796   5.521
   90    HE3  LYS  11           2HE      LYS  11   7.742  -3.464   4.552
   91    HZ1  LYS  11           3HZ      LYS  11   9.663  -2.838   5.920
   92    HZ2  LYS  11           1HZ      LYS  11   8.787  -3.198   7.327
   93    HZ3  LYS  11           2HZ      LYS  11   8.283  -1.935   6.310
   94    H    LEU  12           H        LEU  12   1.811  -1.537   5.090
   95    HA   LEU  12           HA       LEU  12   3.375  -0.121   3.192
   96    HB2  LEU  12           1HB      LEU  12   1.454  -1.600   2.625
   97    HB3  LEU  12           2HB      LEU  12   0.369  -0.389   3.270
   98    HG   LEU  12           HG       LEU  12   1.117   1.196   1.540
   99   HD11  LEU  12          1HD1      LEU  12   2.707  -1.137   0.492
  100   HD12  LEU  12          2HD1      LEU  12   3.377   0.323   1.220
  101   HD13  LEU  12          3HD1      LEU  12   2.498   0.420  -0.307
  102   HD21  LEU  12          3HD2      LEU  12   0.165  -1.477   0.518
  103   HD22  LEU  12          1HD2      LEU  12   0.081   0.040  -0.373
  104   HD23  LEU  12          2HD2      LEU  12  -0.842  -0.158   1.117
  105    H    LYS  13           H        LYS  13   0.909   0.859   5.553
  106    HA   LYS  13           HA       LYS  13   0.757   3.571   4.903
  107    HB2  LYS  13           1HB      LYS  13  -0.718   2.722   6.586
  108    HB3  LYS  13           2HB      LYS  13   0.630   2.192   7.587
  109    HG2  LYS  13           1HG      LYS  13   1.282   4.605   7.816
  110    HG3  LYS  13           2HG      LYS  13  -0.237   5.029   7.028
  111    HD2  LYS  13           1HD      LYS  13  -0.552   5.158   9.406
  112    HD3  LYS  13           2HD      LYS  13  -1.433   3.749   8.812
  113    HE2  LYS  13           1HE      LYS  13   0.435   2.306   9.498
  114    HE3  LYS  13           2HE      LYS  13   1.291   3.716  10.120
  115    HZ1  LYS  13           3HZ      LYS  13   0.206   2.591  11.912
  116    HZ2  LYS  13           1HZ      LYS  13  -1.290   2.628  11.109
  117    HZ3  LYS  13           2HZ      LYS  13  -0.587   4.068  11.655
  118    H    GLU  14           H        GLU  14   3.093   1.841   6.918
  119    HA   GLU  14           HA       GLU  14   4.516   4.146   7.729
  120    HB2  GLU  14           1HB      GLU  14   5.394   1.265   7.583
  121    HB3  GLU  14           2HB      GLU  14   6.282   2.544   8.403
  122    HG2  GLU  14           1HG      GLU  14   4.360   2.900   9.887
  123    HG3  GLU  14           2HG      GLU  14   3.514   1.574   9.088
  124    H    PHE  15           H        PHE  15   5.037   1.836   5.106
  125    HA   PHE  15           HA       PHE  15   7.513   2.893   4.272
  126    HB2  PHE  15           1HB      PHE  15   6.321   0.647   3.696
  127    HB3  PHE  15           2HB      PHE  15   5.611   1.568   2.380
  128    HD1  PHE  15           HD1      PHE  15   8.996   1.359   3.913
  129    HD2  PHE  15           HD2      PHE  15   6.692   1.109   0.336
  130    HE1  PHE  15           HE1      PHE  15  11.046   0.956   2.619
  131    HE2  PHE  15           HE2      PHE  15   8.738   0.703  -0.948
  132    HZ   PHE  15           HZ       PHE  15  10.917   0.632   0.186
  133    H    VAL  16           H        VAL  16   4.204   3.727   3.487
  134    HA   VAL  16           HA       VAL  16   5.055   5.604   1.432
  135    HB   VAL  16           HB       VAL  16   2.287   5.019   2.509
  136   HG11  VAL  16          1HG1      VAL  16   1.479   6.269   0.556
  137   HG12  VAL  16          2HG1      VAL  16   3.140   6.693   0.144
  138   HG13  VAL  16          3HG1      VAL  16   2.421   7.293   1.637
  139   HG21  VAL  16          3HG2      VAL  16   3.684   4.173  -0.029
  140   HG22  VAL  16          1HG2      VAL  16   1.978   3.902   0.325
  141   HG23  VAL  16          2HG2      VAL  16   3.216   3.131   1.318
  142    H    LYS  17           H        LYS  17   3.280   5.808   4.533
  143    HA   LYS  17           HA       LYS  17   3.095   8.632   4.476
  144    HB2  LYS  17           1HB      LYS  17   1.621   7.030   5.739
  145    HB3  LYS  17           2HB      LYS  17   2.916   6.892   6.918
  146    HG2  LYS  17           1HG      LYS  17   2.742   9.477   7.028
  147    HG3  LYS  17           2HG      LYS  17   1.157   9.208   6.291
  148    HD2  LYS  17           1HD      LYS  17   0.533   7.731   8.100
  149    HD3  LYS  17           2HD      LYS  17   2.124   7.928   8.832
  150    HE2  LYS  17           1HE      LYS  17   0.085  10.113   8.408
  151    HE3  LYS  17           2HE      LYS  17   0.438   9.319   9.942
  152    HZ1  LYS  17           3HZ      LYS  17   1.603  11.376   9.886
  153    HZ2  LYS  17           1HZ      LYS  17   2.259  11.048   8.357
  154    HZ3  LYS  17           2HZ      LYS  17   2.756  10.146   9.700
  155    H    ARG  18           H        ARG  18   5.211   6.441   6.311
  156    HA   ARG  18           HA       ARG  18   6.456   8.665   7.660
  157    HB2  ARG  18           1HB      ARG  18   7.153   5.723   7.700
  158    HB3  ARG  18           2HB      ARG  18   7.788   6.944   8.794
  159    HG2  ARG  18           1HG      ARG  18   5.586   7.310   9.725
  160    HG3  ARG  18           2HG      ARG  18   4.883   6.178   8.569
  161    HD2  ARG  18           1HD      ARG  18   5.148   5.055  10.670
  162    HD3  ARG  18           2HD      ARG  18   6.324   4.396   9.534
  163    HE   ARG  18           HE       ARG  18   7.630   6.423  10.876
  164   HH11  ARG  18          1HH1      ARG  18   6.125   3.359  11.699
  165   HH12  ARG  18          2HH1      ARG  18   7.074   3.138  13.137
  166   HH21  ARG  18          1HH2      ARG  18   8.871   6.132  12.756
  167   HH22  ARG  18          2HH2      ARG  18   8.621   4.732  13.755
  168    H    HIS  19           H        HIS  19   7.159   6.645   4.914
  169    HA   HIS  19           HA       HIS  19   9.913   7.593   4.905
  170    HB2  HIS  19           1HB      HIS  19   8.569   5.285   3.539
  171    HB3  HIS  19           2HB      HIS  19  10.157   5.848   3.026
  172    HD1  HIS  19           HD1      HIS  19  12.099   4.791   4.231
  173    HD2  HIS  19           HD2      HIS  19   8.549   4.548   6.393
  174    HE1  HIS  19           HE1      HIS  19  12.613   3.434   6.302
  175    H    GLN  20           H        GLN  20   7.545   9.199   4.043
  176    HA   GLN  20           HA       GLN  20   7.163  10.868   2.555
  177    HB2  GLN  20           1HB      GLN  20  10.002  10.227   1.786
  178    HB3  GLN  20           2HB      GLN  20   9.123  11.638   1.212
  179    HG2  GLN  20           1HG      GLN  20   8.913  12.453   3.487
  180    HG3  GLN  20           2HG      GLN  20   9.730  11.016   4.098
  181   HE21  GLN  20          1HE2      GLN  20  11.945  10.777   3.751
  182   HE22  GLN  20          2HE2      GLN  20  12.951  12.113   3.310
  183    H    ARG  21           H        ARG  21   6.426   8.197   1.842
  184    HA   ARG  21           HA       ARG  21   5.325   7.164   0.177
  185    HB2  ARG  21           1HB      ARG  21   5.796   9.731  -1.348
  186    HB3  ARG  21           2HB      ARG  21   4.688   8.454  -1.823
  187    HG2  ARG  21           1HG      ARG  21   3.361   8.834   0.169
  188    HG3  ARG  21           2HG      ARG  21   4.499  10.073   0.704
  189    HD2  ARG  21           1HD      ARG  21   2.886  10.165  -1.840
  190    HD3  ARG  21           2HD      ARG  21   2.494  11.020  -0.353
  191    HE   ARG  21           HE       ARG  21   5.084  11.545  -1.616
  192   HH11  ARG  21          1HH1      ARG  21   1.848  12.614  -0.813
  193   HH12  ARG  21          2HH1      ARG  21   2.167  14.283  -1.180
  194   HH21  ARG  21          1HH2      ARG  21   5.505  13.743  -2.120
  195   HH22  ARG  21          2HH2      ARG  21   4.230  14.916  -1.967
  196    H    ILE  22           H        ILE  22   5.518   6.616  -2.302
  197    HA   ILE  22           HA       ILE  22   8.283   6.367  -3.153
  198    HB   ILE  22           HB       ILE  22   7.984   4.425  -1.701
  199   HG12  ILE  22          1HG1      ILE  22   7.889   3.569  -4.599
  200   HG13  ILE  22          2HG1      ILE  22   9.323   4.190  -3.782
  201   HG21  ILE  22          1HG2      ILE  22   5.610   3.783  -3.442
  202   HG22  ILE  22          2HG2      ILE  22   5.596   4.189  -1.724
  203   HG23  ILE  22          3HG2      ILE  22   6.321   2.676  -2.267
  204   HD11  ILE  22          3HD1      ILE  22   7.824   1.710  -2.993
  205   HD12  ILE  22          1HD1      ILE  22   9.325   2.310  -2.287
  206   HD13  ILE  22          2HD1      ILE  22   9.301   1.748  -3.959
  207    H    THR  23           H        THR  23   8.463   5.840  -5.389
  208    HA   THR  23           HA       THR  23   6.383   6.788  -7.027
  209    HB   THR  23           HB       THR  23   7.765   5.798  -8.900
  210    HG1  THR  23           HG1      THR  23   9.619   4.746  -8.418
  211   HG21  THR  23          3HG2      THR  23   8.075   8.102  -8.151
  212   HG22  THR  23          1HG2      THR  23   9.618   7.376  -8.605
  213   HG23  THR  23          2HG2      THR  23   9.195   7.553  -6.902
  214    H    GLN  24           H        GLN  24   5.046   5.692  -8.519
  215    HA   GLN  24           HA       GLN  24   3.687   3.499  -7.414
  216    HB2  GLN  24           1HB      GLN  24   2.655   5.177  -8.902
  217    HB3  GLN  24           2HB      GLN  24   3.587   4.542 -10.250
  218    HG2  GLN  24           1HG      GLN  24   2.439   2.389 -10.014
  219    HG3  GLN  24           2HG      GLN  24   1.484   3.053  -8.691
  220   HE21  GLN  24          1HE2      GLN  24   2.076   3.096 -12.111
  221   HE22  GLN  24          2HE2      GLN  24   0.614   3.914 -12.554
  222    H    GLU  25           H        GLU  25   6.159   3.673  -9.907
  223    HA   GLU  25           HA       GLU  25   5.967   1.063 -10.906
  224    HB2  GLU  25           1HB      GLU  25   7.269   2.763 -12.031
  225    HB3  GLU  25           2HB      GLU  25   8.335   2.917 -10.642
  226    HG2  GLU  25           1HG      GLU  25   9.099   0.605 -11.011
  227    HG3  GLU  25           2HG      GLU  25   8.089   0.531 -12.457
  228    H    GLU  26           H        GLU  26   8.081   2.366  -8.355
  229    HA   GLU  26           HA       GLU  26   9.120  -0.201  -7.683
  230    HB2  GLU  26           1HB      GLU  26   9.241   2.447  -6.242
  231    HB3  GLU  26           2HB      GLU  26  10.096   0.999  -5.717
  232    HG2  GLU  26           1HG      GLU  26  11.345   0.963  -7.806
  233    HG3  GLU  26           2HG      GLU  26  10.461   2.384  -8.368
  234    H    LEU  27           H        LEU  27   6.409   1.720  -6.624
  235    HA   LEU  27           HA       LEU  27   5.696   0.447  -4.274
  236    HB2  LEU  27           1HB      LEU  27   4.454   2.339  -5.040
  237    HB3  LEU  27           2HB      LEU  27   4.007   1.521  -6.525
  238    HG   LEU  27           HG       LEU  27   2.730  -0.129  -5.072
  239   HD11  LEU  27          1HD1      LEU  27   2.043   0.680  -2.868
  240   HD12  LEU  27          2HD1      LEU  27   3.162   2.033  -3.021
  241   HD13  LEU  27          3HD1      LEU  27   3.779   0.383  -2.947
  242   HD21  LEU  27          3HD2      LEU  27   0.795   1.361  -4.886
  243   HD22  LEU  27          1HD2      LEU  27   1.633   1.573  -6.425
  244   HD23  LEU  27          2HD2      LEU  27   1.848   2.753  -5.132
  245    H    HIS  28           H        HIS  28   4.924  -0.520  -7.627
  246    HA   HIS  28           HA       HIS  28   3.387  -2.769  -6.826
  247    HB2  HIS  28           1HB      HIS  28   3.467  -1.504  -9.131
  248    HB3  HIS  28           2HB      HIS  28   4.721  -2.683  -9.504
  249    HD1  HIS  28           HD1      HIS  28   3.661  -5.280  -8.520
  250    HD2  HIS  28           HD2      HIS  28   1.177  -2.394 -10.179
  251    HE1  HIS  28           HE1      HIS  28   1.547  -6.478  -9.203
  252    H    GLN  29           H        GLN  29   6.789  -2.295  -7.567
  253    HA   GLN  29           HA       GLN  29   7.567  -5.008  -7.505
  254    HB2  GLN  29           1HB      GLN  29   9.093  -3.294  -8.299
  255    HB3  GLN  29           2HB      GLN  29   9.082  -2.505  -6.729
  256    HG2  GLN  29           1HG      GLN  29  11.129  -3.750  -7.037
  257    HG3  GLN  29           2HG      GLN  29  10.168  -4.448  -5.735
  258   HE21  GLN  29          1HE2      GLN  29   9.204  -6.445  -6.020
  259   HE22  GLN  29          2HE2      GLN  29   9.683  -7.530  -7.284
  260    H    TYR  30           H        TYR  30   7.317  -2.543  -4.996
  261    HA   TYR  30           HA       TYR  30   8.118  -4.126  -2.818
  262    HB2  TYR  30           1HB      TYR  30   8.040  -1.684  -2.754
  263    HB3  TYR  30           2HB      TYR  30   6.291  -1.717  -2.931
  264    HD1  TYR  30           HD1      TYR  30   8.813  -3.343  -0.692
  265    HD2  TYR  30           HD2      TYR  30   5.146  -1.211  -1.011
  266    HE1  TYR  30           HE1      TYR  30   8.579  -3.385   1.754
  267    HE2  TYR  30           HE2      TYR  30   4.908  -1.247   1.436
  268    HH   TYR  30           HH       TYR  30   5.666  -2.481   3.331
  269    H    ALA  31           H        ALA  31   4.985  -3.597  -4.346
  270    HA   ALA  31           HA       ALA  31   3.369  -4.846  -2.428
  271    HB1  ALA  31           3HB      ALA  31   2.491  -3.450  -4.257
  272    HB2  ALA  31           1HB      ALA  31   1.689  -5.019  -4.178
  273    HB3  ALA  31           2HB      ALA  31   2.914  -4.716  -5.408
  274    H    GLN  32           H        GLN  32   5.244  -6.146  -5.091
  275    HA   GLN  32           HA       GLN  32   4.127  -8.777  -4.925
  276    HB2  GLN  32           1HB      GLN  32   6.658  -7.772  -6.243
  277    HB3  GLN  32           2HB      GLN  32   6.016  -9.399  -6.426
  278    HG2  GLN  32           1HG      GLN  32   4.027  -8.535  -7.485
  279    HG3  GLN  32           2HG      GLN  32   4.572  -6.879  -7.219
  280   HE21  GLN  32          1HE2      GLN  32   6.259  -6.060  -8.456
  281   HE22  GLN  32          2HE2      GLN  32   6.765  -6.814  -9.933
  282    H    ARG  33           H        ARG  33   6.686  -7.078  -3.342
  283    HA   ARG  33           HA       ARG  33   7.929  -9.472  -2.299
  284    HB2  ARG  33           1HB      ARG  33   9.211  -7.400  -2.829
  285    HB3  ARG  33           2HB      ARG  33   8.373  -6.585  -1.518
  286    HG2  ARG  33           1HG      ARG  33   9.421  -7.922   0.114
  287    HG3  ARG  33           2HG      ARG  33  10.012  -9.064  -1.096
  288    HD2  ARG  33           1HD      ARG  33  11.824  -7.644  -0.360
  289    HD3  ARG  33           2HD      ARG  33  11.435  -7.298  -2.044
  290    HE   ARG  33           HE       ARG  33  10.394  -5.601   0.127
  291   HH11  ARG  33          1HH1      ARG  33  12.181  -5.998  -2.858
  292   HH12  ARG  33          2HH1      ARG  33  12.456  -4.293  -3.078
  293   HH21  ARG  33          1HH2      ARG  33  10.782  -3.348  -0.143
  294   HH22  ARG  33          2HH2      ARG  33  11.663  -2.786  -1.539
  295    H    LEU  34           H        LEU  34   5.264  -7.576  -1.561
  296    HA   LEU  34           HA       LEU  34   5.244  -8.303   1.267
  297    HB2  LEU  34           1HB      LEU  34   3.317  -6.678  -0.396
  298    HB3  LEU  34           2HB      LEU  34   3.146  -6.977   1.323
  299    HG   LEU  34           HG       LEU  34   5.438  -5.480   0.054
  300   HD11  LEU  34          1HD1      LEU  34   4.410  -3.498   1.030
  301   HD12  LEU  34          2HD1      LEU  34   3.044  -4.467   1.576
  302   HD13  LEU  34          3HD1      LEU  34   3.344  -4.260  -0.150
  303   HD21  LEU  34          3HD2      LEU  34   4.666  -5.896   2.938
  304   HD22  LEU  34          1HD2      LEU  34   5.977  -4.864   2.361
  305   HD23  LEU  34          2HD2      LEU  34   6.054  -6.608   2.118
  306    H    GLY  35           H        GLY  35   4.139  -9.425  -1.733
  307    HA2  GLY  35           1HA      GLY  35   2.980 -11.386  -2.186
  308    HA3  GLY  35           2HA      GLY  35   2.563 -11.514  -0.486
  309    H    LEU  36           H        LEU  36   2.052  -8.855  -2.764
  310    HA   LEU  36           HA       LEU  36  -0.669  -8.700  -1.739
  311    HB2  LEU  36           1HB      LEU  36   1.093  -6.724  -3.139
  312    HB3  LEU  36           2HB      LEU  36  -0.627  -6.457  -2.929
  313    HG   LEU  36           HG       LEU  36   1.398  -6.787  -0.715
  314   HD11  LEU  36          1HD1      LEU  36   0.882  -4.466  -0.238
  315   HD12  LEU  36          2HD1      LEU  36  -0.271  -4.424  -1.572
  316   HD13  LEU  36          3HD1      LEU  36   1.449  -4.624  -1.902
  317   HD21  LEU  36          3HD2      LEU  36  -0.708  -7.816  -0.104
  318   HD22  LEU  36          1HD2      LEU  36  -1.589  -6.385  -0.639
  319   HD23  LEU  36          2HD2      LEU  36  -0.516  -6.287   0.755
  320    H    ASN  37           H        ASN  37  -2.155  -7.591  -3.196
  321    HA   ASN  37           HA       ASN  37  -2.071  -8.308  -6.007
  322    HB2  ASN  37           1HB      ASN  37  -4.536  -8.963  -5.806
  323    HB3  ASN  37           2HB      ASN  37  -3.373 -10.125  -5.189
  324   HD21  ASN  37          1HD2      ASN  37  -4.088  -7.230  -3.350
  325   HD22  ASN  37          2HD2      ASN  37  -5.004  -8.037  -2.110
  326    H    GLU  38           H        GLU  38  -4.076  -7.096  -7.067
  327    HA   GLU  38           HA       GLU  38  -3.544  -4.377  -6.522
  328    HB2  GLU  38           1HB      GLU  38  -5.635  -5.675  -8.252
  329    HB3  GLU  38           2HB      GLU  38  -5.400  -3.935  -8.161
  330    HG2  GLU  38           1HG      GLU  38  -3.037  -4.297  -8.862
  331    HG3  GLU  38           2HG      GLU  38  -3.440  -5.993  -9.134
  332    H    GLU  39           H        GLU  39  -5.821  -6.509  -5.150
  333    HA   GLU  39           HA       GLU  39  -7.947  -4.968  -4.359
  334    HB2  GLU  39           1HB      GLU  39  -7.891  -7.263  -3.745
  335    HB3  GLU  39           2HB      GLU  39  -6.358  -7.081  -2.908
  336    HG2  GLU  39           1HG      GLU  39  -7.939  -7.313  -1.219
  337    HG3  GLU  39           2HG      GLU  39  -7.595  -5.587  -1.274
  338    H    ALA  40           H        ALA  40  -4.867  -5.327  -2.661
  339    HA   ALA  40           HA       ALA  40  -5.505  -3.190  -0.826
  340    HB1  ALA  40           3HB      ALA  40  -2.941  -4.744  -1.148
  341    HB2  ALA  40           1HB      ALA  40  -4.270  -5.176  -0.072
  342    HB3  ALA  40           2HB      ALA  40  -3.362  -3.689   0.202
  343    H    ILE  41           H        ILE  41  -3.477  -3.700  -3.640
  344    HA   ILE  41           HA       ILE  41  -1.811  -1.482  -3.385
  345    HB   ILE  41           HB       ILE  41  -2.742  -2.778  -5.949
  346   HG12  ILE  41          1HG1      ILE  41  -0.287  -3.353  -4.270
  347   HG13  ILE  41          2HG1      ILE  41  -1.727  -4.366  -4.327
  348   HG21  ILE  41          1HG2      ILE  41  -0.682  -1.899  -6.914
  349   HG22  ILE  41          2HG2      ILE  41  -0.285  -1.119  -5.384
  350   HG23  ILE  41          3HG2      ILE  41  -1.698  -0.595  -6.299
  351   HD11  ILE  41          3HD1      ILE  41   0.031  -5.282  -5.715
  352   HD12  ILE  41          1HD1      ILE  41   0.121  -3.779  -6.632
  353   HD13  ILE  41          2HD1      ILE  41  -1.335  -4.772  -6.707
  354    H    ARG  42           H        ARG  42  -4.781  -1.867  -5.285
  355    HA   ARG  42           HA       ARG  42  -4.746   0.822  -6.244
  356    HB2  ARG  42           1HB      ARG  42  -5.655  -0.988  -7.572
  357    HB3  ARG  42           2HB      ARG  42  -6.862  -1.332  -6.347
  358    HG2  ARG  42           1HG      ARG  42  -7.955   0.760  -6.793
  359    HG3  ARG  42           2HG      ARG  42  -6.665   1.213  -7.906
  360    HD2  ARG  42           1HD      ARG  42  -8.683   0.382  -9.063
  361    HD3  ARG  42           2HD      ARG  42  -7.239  -0.571  -9.404
  362    HE   ARG  42           HE       ARG  42  -9.209  -1.438  -7.383
  363   HH11  ARG  42          1HH1      ARG  42  -7.305  -2.035 -10.265
  364   HH12  ARG  42          2HH1      ARG  42  -7.782  -3.700 -10.409
  365   HH21  ARG  42          1HH2      ARG  42  -9.843  -3.641  -7.555
  366   HH22  ARG  42          2HH2      ARG  42  -9.231  -4.607  -8.861
  367    H    GLN  43           H        GLN  43  -6.600  -0.914  -3.762
  368    HA   GLN  43           HA       GLN  43  -8.408   1.136  -3.138
  369    HB2  GLN  43           1HB      GLN  43  -9.000  -0.924  -2.269
  370    HB3  GLN  43           2HB      GLN  43  -7.375  -1.269  -1.698
  371    HG2  GLN  43           1HG      GLN  43  -7.661   0.370   0.095
  372    HG3  GLN  43           2HG      GLN  43  -9.295   0.700  -0.474
  373   HE21  GLN  43          1HE2      GLN  43  -8.045  -2.520  -0.615
  374   HE22  GLN  43          2HE2      GLN  43  -8.987  -3.161   0.685
  375    H    PHE  44           H        PHE  44  -5.139   0.497  -1.953
  376    HA   PHE  44           HA       PHE  44  -5.284   2.175   0.309
  377    HB2  PHE  44           1HB      PHE  44  -3.544   0.323  -0.417
  378    HB3  PHE  44           2HB      PHE  44  -2.680   1.708  -1.077
  379    HD1  PHE  44           HD1      PHE  44  -3.891   0.088   1.969
  380    HD2  PHE  44           HD2      PHE  44  -1.657   3.336   0.371
  381    HE1  PHE  44           HE1      PHE  44  -2.956   0.533   4.200
  382    HE2  PHE  44           HE2      PHE  44  -0.719   3.792   2.599
  383    HZ   PHE  44           HZ       PHE  44  -1.368   2.388   4.520
  384    H    PHE  45           H        PHE  45  -4.490   2.821  -3.046
  385    HA   PHE  45           HA       PHE  45  -3.537   5.493  -2.380
  386    HB2  PHE  45           1HB      PHE  45  -3.485   3.805  -4.848
  387    HB3  PHE  45           2HB      PHE  45  -3.301   5.550  -4.994
  388    HD1  PHE  45           HD1      PHE  45  -1.980   2.917  -2.685
  389    HD2  PHE  45           HD2      PHE  45  -1.132   6.204  -5.245
  390    HE1  PHE  45           HE1      PHE  45   0.412   2.704  -2.155
  391    HE2  PHE  45           HE2      PHE  45   1.264   5.999  -4.723
  392    HZ   PHE  45           HZ       PHE  45   2.044   4.244  -3.182
  393    H    GLU  46           H        GLU  46  -6.124   4.035  -4.390
  394    HA   GLU  46           HA       GLU  46  -7.106   6.675  -5.030
  395    HB2  GLU  46           1HB      GLU  46  -8.124   3.938  -5.761
  396    HB3  GLU  46           2HB      GLU  46  -8.878   5.434  -6.285
  397    HG2  GLU  46           1HG      GLU  46  -6.706   6.064  -7.339
  398    HG3  GLU  46           2HG      GLU  46  -6.126   4.443  -6.961
  399    H    GLU  47           H        GLU  47  -7.948   4.148  -2.775
  400    HA   GLU  47           HA       GLU  47 -10.391   5.652  -2.079
  401    HB2  GLU  47           1HB      GLU  47 -10.635   3.281  -3.032
  402    HB3  GLU  47           2HB      GLU  47  -9.944   2.724  -1.515
  403    HG2  GLU  47           1HG      GLU  47 -11.794   3.886  -0.319
  404    HG3  GLU  47           2HG      GLU  47 -12.513   4.244  -1.889
  405    H    PHE  48           H        PHE  48  -7.845   6.326  -1.037
  406    HA   PHE  48           HA       PHE  48  -7.524   5.140   1.549
  407    HB2  PHE  48           1HB      PHE  48  -5.767   6.449   0.097
  408    HB3  PHE  48           2HB      PHE  48  -6.465   7.855   0.892
  409    HD1  PHE  48           HD1      PHE  48  -5.209   4.472   1.829
  410    HD2  PHE  48           HD2      PHE  48  -5.424   8.615   2.775
  411    HE1  PHE  48           HE1      PHE  48  -3.763   4.096   3.782
  412    HE2  PHE  48           HE2      PHE  48  -3.982   8.247   4.730
  413    HZ   PHE  48           HZ       PHE  48  -3.149   5.987   5.239
  414    H    GLU  49           H        GLU  49  -7.693   6.424   3.553
  415    HA   GLU  49           HA       GLU  49 -10.401   7.346   3.715
  416    HB2  GLU  49           1HB      GLU  49  -9.956   7.508   6.151
  417    HB3  GLU  49           2HB      GLU  49  -9.581   5.933   5.467
  418    HG2  GLU  49           1HG      GLU  49  -7.220   6.449   5.471
  419    HG3  GLU  49           2HG      GLU  49  -7.554   8.078   6.055
  420    H    GLN  50           H        GLN  50  -7.300   8.852   3.566
  421    HA   GLN  50           HA       GLN  50  -8.223  11.401   4.561
  422    HB2  GLN  50           1HB      GLN  50  -5.659  10.711   3.110
  423    HB3  GLN  50           2HB      GLN  50  -5.999  12.220   3.944
  424    HG2  GLN  50           1HG      GLN  50  -6.160  10.984   6.060
  425    HG3  GLN  50           2HG      GLN  50  -5.737   9.500   5.205
  426   HE21  GLN  50          1HE2      GLN  50  -3.892  10.999   3.421
  427   HE22  GLN  50          2HE2      GLN  50  -2.483  11.321   4.374
  428    H    ARG  51           H        ARG  51  -8.298   9.731   1.597
  429    HA   ARG  51           HA       ARG  51  -8.272  12.188   0.033
  430    HB2  ARG  51           1HB      ARG  51  -6.695  10.601  -0.776
  431    HB3  ARG  51           2HB      ARG  51  -7.864   9.289  -0.681
  432    HG2  ARG  51           1HG      ARG  51  -9.168  10.318  -2.441
  433    HG3  ARG  51           2HG      ARG  51  -7.996  11.630  -2.552
  434    HD2  ARG  51           1HD      ARG  51  -6.262  10.000  -3.167
  435    HD3  ARG  51           2HD      ARG  51  -7.462   8.710  -3.084
  436    HE   ARG  51           HE       ARG  51  -8.434  10.643  -4.836
  437   HH11  ARG  51          1HH1      ARG  51  -5.779   8.371  -4.633
  438   HH12  ARG  51          2HH1      ARG  51  -5.606   8.211  -6.356
  439   HH21  ARG  51          1HH2      ARG  51  -8.233  10.419  -7.117
  440   HH22  ARG  51          2HH2      ARG  51  -7.010   9.367  -7.763
  441    H    LYS  52           H        LYS  52 -10.275  13.007  -0.040
  442    HA   LYS  52           HA       LYS  52 -12.396  11.215  -1.016
  443    HB2  LYS  52           1HB      LYS  52 -12.720  13.832   0.481
  444    HB3  LYS  52           2HB      LYS  52 -14.029  12.822  -0.116
  445    HG2  LYS  52           1HG      LYS  52 -13.246  11.009   1.388
  446    HG3  LYS  52           2HG      LYS  52 -12.049  12.129   2.043
  447    HD2  LYS  52           1HD      LYS  52 -13.946  12.108   3.510
  448    HD3  LYS  52           2HD      LYS  52 -13.913  13.656   2.667
  449    HE2  LYS  52           1HE      LYS  52 -16.184  12.756   2.779
  450    HE3  LYS  52           2HE      LYS  52 -15.617  12.861   1.112
  451    HZ1  LYS  52           3HZ      LYS  52 -15.189  10.515   1.104
  452    HZ2  LYS  52           1HZ      LYS  52 -16.781  10.763   1.625
  453    HZ3  LYS  52           2HZ      LYS  52 -15.572  10.377   2.750
  Start of MODEL   42
    1    H1   MET   1           1H       MET   1 -12.023  -7.537   6.712
    2    H2   MET   1           2H       MET   1 -13.553  -7.931   6.100
    3    H3   MET   1           3H       MET   1 -12.464  -7.046   5.149
    4    HA   MET   1           HA       MET   1 -12.087  -9.840   6.053
    5    HB2  MET   1           1HB      MET   1 -13.836  -9.604   4.325
    6    HB3  MET   1           2HB      MET   1 -12.723  -8.690   3.318
    7    HG2  MET   1           1HG      MET   1 -11.244 -10.709   3.277
    8    HG3  MET   1           2HG      MET   1 -12.542 -11.590   4.079
    9    HE1  MET   1           3HE      MET   1 -12.607 -12.939   0.376
   10    HE2  MET   1           1HE      MET   1 -12.428 -13.375   2.076
   11    HE3  MET   1           2HE      MET   1 -11.176 -12.429   1.273
   12    H    LYS   2           H        LYS   2 -10.105 -10.818   5.218
   13    HA   LYS   2           HA       LYS   2  -7.921  -8.990   5.015
   14    HB2  LYS   2           1HB      LYS   2  -6.522 -10.942   4.661
   15    HB3  LYS   2           2HB      LYS   2  -7.667 -11.276   5.950
   16    HG2  LYS   2           1HG      LYS   2  -8.988 -12.648   4.531
   17    HG3  LYS   2           2HG      LYS   2  -8.080 -12.148   3.105
   18    HD2  LYS   2           1HD      LYS   2  -6.049 -13.175   4.175
   19    HD3  LYS   2           2HD      LYS   2  -7.127 -13.848   5.401
   20    HE2  LYS   2           1HE      LYS   2  -8.383 -15.011   3.659
   21    HE3  LYS   2           2HE      LYS   2  -7.320 -14.329   2.429
   22    HZ1  LYS   2           3HZ      LYS   2  -6.542 -16.210   4.594
   23    HZ2  LYS   2           1HZ      LYS   2  -5.459 -15.494   3.505
   24    HZ3  LYS   2           2HZ      LYS   2  -6.643 -16.556   2.936
   25    H    GLN   3           H        GLN   3  -7.225  -7.960   3.288
   26    HA   GLN   3           HA       GLN   3  -7.884  -9.058   0.639
   27    HB2  GLN   3           1HB      GLN   3  -9.060  -6.849   1.488
   28    HB3  GLN   3           2HB      GLN   3  -7.533  -6.116   1.008
   29    HG2  GLN   3           1HG      GLN   3  -8.956  -5.903  -0.839
   30    HG3  GLN   3           2HG      GLN   3  -7.846  -7.214  -1.234
   31   HE21  GLN   3          1HE2      GLN   3  -9.308  -9.099   0.563
   32   HE22  GLN   3          2HE2      GLN   3 -10.739  -9.521  -0.307
   33    H    TRP   4           H        TRP   4  -5.779  -6.677   2.216
   34    HA   TRP   4           HA       TRP   4  -3.495  -7.594   0.694
   35    HB2  TRP   4           1HB      TRP   4  -2.435  -6.059   2.664
   36    HB3  TRP   4           2HB      TRP   4  -3.039  -5.407   1.150
   37    HD1  TRP   4           HD1      TRP   4  -4.594  -3.418   1.478
   38    HE1  TRP   4           HE1      TRP   4  -6.188  -2.572   3.312
   39    HE3  TRP   4           HE3      TRP   4  -4.057  -7.231   4.834
   40    HZ2  TRP   4           HZ2      TRP   4  -7.096  -3.412   5.843
   41    HZ3  TRP   4           HZ3      TRP   4  -5.325  -7.133   6.936
   42    HH2  TRP   4           HH2      TRP   4  -6.811  -5.263   7.429
   43    H    SER   5           H        SER   5  -1.479  -7.980   2.244
   44    HA   SER   5           HA       SER   5  -2.209 -10.020   4.153
   45    HB2  SER   5           1HB      SER   5  -0.184 -10.345   2.808
   46    HB3  SER   5           2HB      SER   5   0.505  -8.865   3.470
   47    HG   SER   5           HG       SER   5  -0.172 -11.217   4.921
   48    H    GLU   6           H        GLU   6  -2.338  -9.734   6.318
   49    HA   GLU   6           HA       GLU   6  -2.975  -7.220   7.322
   50    HB2  GLU   6           1HB      GLU   6  -3.618  -9.451   8.281
   51    HB3  GLU   6           2HB      GLU   6  -1.998  -9.571   8.950
   52    HG2  GLU   6           1HG      GLU   6  -3.433  -8.840  10.681
   53    HG3  GLU   6           2HG      GLU   6  -2.445  -7.458  10.204
   54    H    ASN   7           H        ASN   7   0.107  -8.873   7.245
   55    HA   ASN   7           HA       ASN   7   1.428  -7.106   9.074
   56    HB2  ASN   7           1HB      ASN   7   2.554  -9.005   7.013
   57    HB3  ASN   7           2HB      ASN   7   3.506  -8.175   8.240
   58   HD21  ASN   7          1HD2      ASN   7   3.297  -8.789  10.400
   59   HD22  ASN   7          2HD2      ASN   7   2.619 -10.325  10.848
   60    H    VAL   8           H        VAL   8   0.768  -7.101   5.676
   61    HA   VAL   8           HA       VAL   8   2.967  -5.405   4.962
   62    HB   VAL   8           HB       VAL   8   0.519  -6.130   3.347
   63   HG11  VAL   8          1HG1      VAL   8   1.990  -5.492   1.433
   64   HG12  VAL   8          2HG1      VAL   8   3.137  -4.837   2.598
   65   HG13  VAL   8          3HG1      VAL   8   1.518  -4.150   2.468
   66   HG21  VAL   8          3HG2      VAL   8   2.010  -7.760   2.263
   67   HG22  VAL   8          1HG2      VAL   8   1.798  -8.100   3.980
   68   HG23  VAL   8          2HG2      VAL   8   3.286  -7.346   3.407
   69    H    GLU   9           H        GLU   9  -0.472  -4.958   5.590
   70    HA   GLU   9           HA       GLU   9  -0.783  -2.371   4.614
   71    HB2  GLU   9           1HB      GLU   9  -2.502  -4.052   5.628
   72    HB3  GLU   9           2HB      GLU   9  -2.120  -3.269   7.153
   73    HG2  GLU   9           1HG      GLU   9  -2.773  -1.448   4.941
   74    HG3  GLU   9           2HG      GLU   9  -4.088  -2.490   5.476
   75    H    GLU  10           H        GLU  10   0.403  -3.509   7.725
   76    HA   GLU  10           HA       GLU  10   0.921  -1.060   8.968
   77    HB2  GLU  10           1HB      GLU  10   1.156  -2.794  10.431
   78    HB3  GLU  10           2HB      GLU  10   1.876  -3.858   9.233
   79    HG2  GLU  10           1HG      GLU  10   3.996  -2.677   9.439
   80    HG3  GLU  10           2HG      GLU  10   3.279  -1.589  10.638
   81    H    LYS  11           H        LYS  11   3.079  -3.089   7.001
   82    HA   LYS  11           HA       LYS  11   5.288  -1.326   7.329
   83    HB2  LYS  11           1HB      LYS  11   4.794  -3.938   6.308
   84    HB3  LYS  11           2HB      LYS  11   5.772  -3.037   5.150
   85    HG2  LYS  11           1HG      LYS  11   7.286  -4.121   6.584
   86    HG3  LYS  11           2HG      LYS  11   7.272  -2.437   7.091
   87    HD2  LYS  11           1HD      LYS  11   5.665  -3.045   8.889
   88    HD3  LYS  11           2HD      LYS  11   5.828  -4.735   8.411
   89    HE2  LYS  11           1HE      LYS  11   7.245  -4.133  10.339
   90    HE3  LYS  11           2HE      LYS  11   8.175  -4.710   8.956
   91    HZ1  LYS  11           3HZ      LYS  11   7.752  -1.841   9.621
   92    HZ2  LYS  11           1HZ      LYS  11   8.755  -2.467   8.401
   93    HZ3  LYS  11           2HZ      LYS  11   9.139  -2.730  10.029
   94    H    LEU  12           H        LEU  12   2.878  -1.769   4.799
   95    HA   LEU  12           HA       LEU  12   4.173  -0.060   2.919
   96    HB2  LEU  12           1HB      LEU  12   2.382  -1.719   2.361
   97    HB3  LEU  12           2HB      LEU  12   1.222  -0.663   3.142
   98    HG   LEU  12           HG       LEU  12   1.693   1.089   1.487
   99   HD11  LEU  12          1HD1      LEU  12   4.012   0.546   0.998
  100   HD12  LEU  12          2HD1      LEU  12   3.056   0.572  -0.483
  101   HD13  LEU  12          3HD1      LEU  12   3.514  -0.969   0.244
  102   HD21  LEU  12          3HD2      LEU  12  -0.115  -0.464   1.048
  103   HD22  LEU  12          1HD2      LEU  12   1.011  -1.599   0.302
  104   HD23  LEU  12          2HD2      LEU  12   0.696  -0.041  -0.459
  105    H    LYS  13           H        LYS  13   1.833   0.377   5.490
  106    HA   LYS  13           HA       LYS  13   1.278   3.096   5.265
  107    HB2  LYS  13           1HB      LYS  13   0.103   1.816   6.881
  108    HB3  LYS  13           2HB      LYS  13   1.587   1.240   7.618
  109    HG2  LYS  13           1HG      LYS  13   1.988   3.695   8.249
  110    HG3  LYS  13           2HG      LYS  13   0.273   3.912   7.883
  111    HD2  LYS  13           1HD      LYS  13  -0.314   2.182   9.481
  112    HD3  LYS  13           2HD      LYS  13   1.394   1.893   9.819
  113    HE2  LYS  13           1HE      LYS  13   0.559   3.250  11.582
  114    HE3  LYS  13           2HE      LYS  13   1.555   4.285  10.560
  115    HZ1  LYS  13           3HZ      LYS  13  -1.416   4.120  10.519
  116    HZ2  LYS  13           1HZ      LYS  13  -0.480   5.090   9.492
  117    HZ3  LYS  13           2HZ      LYS  13  -0.499   5.393  11.160
  118    H    GLU  14           H        GLU  14   3.924   1.453   6.959
  119    HA   GLU  14           HA       GLU  14   5.234   3.814   7.808
  120    HB2  GLU  14           1HB      GLU  14   6.398   1.058   7.402
  121    HB3  GLU  14           2HB      GLU  14   7.127   2.362   8.327
  122    HG2  GLU  14           1HG      GLU  14   5.125   2.301   9.830
  123    HG3  GLU  14           2HG      GLU  14   4.615   0.848   8.969
  124    H    PHE  15           H        PHE  15   4.998   2.406   4.748
  125    HA   PHE  15           HA       PHE  15   7.500   3.577   3.832
  126    HB2  PHE  15           1HB      PHE  15   5.604   1.596   2.761
  127    HB3  PHE  15           2HB      PHE  15   6.321   2.672   1.567
  128    HD1  PHE  15           HD1      PHE  15   7.894   1.419   4.675
  129    HD2  PHE  15           HD2      PHE  15   7.776   1.181   0.418
  130    HE1  PHE  15           HE1      PHE  15   9.954   0.075   4.693
  131    HE2  PHE  15           HE2      PHE  15   9.838  -0.150   0.438
  132    HZ   PHE  15           HZ       PHE  15  10.930  -0.709   2.571
  133    H    VAL  16           H        VAL  16   4.064   3.764   2.893
  134    HA   VAL  16           HA       VAL  16   4.474   5.921   1.116
  135    HB   VAL  16           HB       VAL  16   1.869   5.216   2.466
  136   HG11  VAL  16          1HG1      VAL  16   0.888   6.057   0.377
  137   HG12  VAL  16          2HG1      VAL  16   2.500   6.496  -0.185
  138   HG13  VAL  16          3HG1      VAL  16   1.812   7.292   1.229
  139   HG21  VAL  16          3HG2      VAL  16   3.125   3.981   0.021
  140   HG22  VAL  16          1HG2      VAL  16   1.465   3.714   0.554
  141   HG23  VAL  16          2HG2      VAL  16   2.813   3.182   1.561
  142    H    LYS  17           H        LYS  17   3.661   5.788   4.537
  143    HA   LYS  17           HA       LYS  17   3.164   8.672   4.551
  144    HB2  LYS  17           1HB      LYS  17   2.720   6.639   6.734
  145    HB3  LYS  17           2HB      LYS  17   2.251   8.332   6.787
  146    HG2  LYS  17           1HG      LYS  17   1.182   6.277   4.861
  147    HG3  LYS  17           2HG      LYS  17   0.347   6.880   6.291
  148    HD2  LYS  17           1HD      LYS  17   1.186   8.525   3.899
  149    HD3  LYS  17           2HD      LYS  17  -0.453   7.981   4.253
  150    HE2  LYS  17           1HE      LYS  17  -0.553   9.346   6.217
  151    HE3  LYS  17           2HE      LYS  17   1.162   9.741   6.091
  152    HZ1  LYS  17           3HZ      LYS  17  -0.902  10.511   4.095
  153    HZ2  LYS  17           1HZ      LYS  17   0.735  10.948   4.072
  154    HZ3  LYS  17           2HZ      LYS  17  -0.282  11.538   5.294
  155    H    ARG  18           H        ARG  18   5.651   6.461   5.342
  156    HA   ARG  18           HA       ARG  18   6.907   8.515   7.044
  157    HB2  ARG  18           1HB      ARG  18   7.186   5.524   7.399
  158    HB3  ARG  18           2HB      ARG  18   7.952   6.767   8.376
  159    HG2  ARG  18           1HG      ARG  18   5.775   7.513   9.173
  160    HG3  ARG  18           2HG      ARG  18   4.984   6.282   8.184
  161    HD2  ARG  18           1HD      ARG  18   5.194   5.562  10.516
  162    HD3  ARG  18           2HD      ARG  18   6.132   4.529   9.438
  163    HE   ARG  18           HE       ARG  18   7.589   6.731  10.644
  164   HH11  ARG  18          1HH1      ARG  18   6.696   3.343  10.899
  165   HH12  ARG  18          2HH1      ARG  18   8.046   2.938  11.902
  166   HH21  ARG  18          1HH2      ARG  18   9.357   6.185  11.973
  167   HH22  ARG  18          2HH2      ARG  18   9.558   4.547  12.525
  168    H    HIS  19           H        HIS  19   7.523   5.774   4.872
  169    HA   HIS  19           HA       HIS  19  10.362   6.241   4.912
  170    HB2  HIS  19           1HB      HIS  19   8.742   4.040   4.440
  171    HB3  HIS  19           2HB      HIS  19   9.435   4.402   2.864
  172    HD1  HIS  19           HD1      HIS  19  10.452   3.419   6.369
  173    HD2  HIS  19           HD2      HIS  19  12.098   3.792   2.565
  174    HE1  HIS  19           HE1      HIS  19  12.715   2.317   6.468
  175    H    GLN  20           H        GLN  20   9.623   8.527   4.028
  176    HA   GLN  20           HA       GLN  20  10.058  10.067   2.429
  177    HB2  GLN  20           1HB      GLN  20  11.439   7.706   1.176
  178    HB3  GLN  20           2HB      GLN  20  11.542   9.337   0.529
  179    HG2  GLN  20           1HG      GLN  20  12.464   8.433   3.251
  180    HG3  GLN  20           2HG      GLN  20  13.493   8.804   1.868
  181   HE21  GLN  20          1HE2      GLN  20  11.514  10.088   4.395
  182   HE22  GLN  20          2HE2      GLN  20  11.990  11.743   4.219
  183    H    ARG  21           H        ARG  21   7.598   8.413   2.273
  184    HA   ARG  21           HA       ARG  21   5.675   8.658   1.087
  185    HB2  ARG  21           1HB      ARG  21   6.677  10.861   0.389
  186    HB3  ARG  21           2HB      ARG  21   7.294  10.060  -1.043
  187    HG2  ARG  21           1HG      ARG  21   4.370  10.064  -0.392
  188    HG3  ARG  21           2HG      ARG  21   5.135  11.407  -1.241
  189    HD2  ARG  21           1HD      ARG  21   5.960   9.769  -2.933
  190    HD3  ARG  21           2HD      ARG  21   5.001   8.530  -2.124
  191    HE   ARG  21           HE       ARG  21   3.377  10.759  -2.772
  192   HH11  ARG  21          1HH1      ARG  21   4.940   7.954  -4.173
  193   HH12  ARG  21          2HH1      ARG  21   3.898   7.906  -5.568
  194   HH21  ARG  21          1HH2      ARG  21   1.982  10.687  -4.617
  195   HH22  ARG  21          2HH2      ARG  21   2.204   9.434  -5.797
  196    H    ILE  22           H        ILE  22   8.468   7.791  -0.873
  197    HA   ILE  22           HA       ILE  22   8.935   6.224  -2.387
  198    HB   ILE  22           HB       ILE  22   8.072   4.704  -0.502
  199   HG12  ILE  22          1HG1      ILE  22   8.079   3.714  -3.357
  200   HG13  ILE  22          2HG1      ILE  22   9.508   3.987  -2.368
  201   HG21  ILE  22          1HG2      ILE  22   5.803   4.357  -2.455
  202   HG22  ILE  22          2HG2      ILE  22   5.679   4.992  -0.815
  203   HG23  ILE  22          3HG2      ILE  22   6.134   3.309  -1.077
  204   HD11  ILE  22          3HD1      ILE  22   8.785   2.235  -0.838
  205   HD12  ILE  22          1HD1      ILE  22   8.939   1.629  -2.487
  206   HD13  ILE  22          2HD1      ILE  22   7.344   1.971  -1.818
  207    H    THR  23           H        THR  23   8.641   5.860  -4.481
  208    HA   THR  23           HA       THR  23   6.369   7.106  -5.735
  209    HB   THR  23           HB       THR  23   7.706   6.108  -7.827
  210    HG1  THR  23           HG1      THR  23   9.401   5.071  -7.006
  211   HG21  THR  23          3HG2      THR  23   8.611   8.482  -6.192
  212   HG22  THR  23          1HG2      THR  23   7.298   8.481  -7.370
  213   HG23  THR  23          2HG2      THR  23   8.959   8.208  -7.900
  214    H    GLN  24           H        GLN  24   5.099   6.071  -7.411
  215    HA   GLN  24           HA       GLN  24   3.740   3.866  -6.383
  216    HB2  GLN  24           1HB      GLN  24   2.718   5.536  -7.850
  217    HB3  GLN  24           2HB      GLN  24   3.691   4.961  -9.196
  218    HG2  GLN  24           1HG      GLN  24   2.583   2.754  -8.989
  219    HG3  GLN  24           2HG      GLN  24   1.545   3.436  -7.738
  220   HE21  GLN  24          1HE2      GLN  24   2.311   3.382 -11.117
  221   HE22  GLN  24          2HE2      GLN  24   0.899   4.227 -11.659
  222    H    GLU  25           H        GLU  25   6.195   4.006  -8.940
  223    HA   GLU  25           HA       GLU  25   5.819   1.425  -9.962
  224    HB2  GLU  25           1HB      GLU  25   7.223   3.249 -10.972
  225    HB3  GLU  25           2HB      GLU  25   8.455   2.880  -9.773
  226    HG2  GLU  25           1HG      GLU  25   8.687   0.639 -10.654
  227    HG3  GLU  25           2HG      GLU  25   7.387   0.934 -11.805
  228    H    GLU  26           H        GLU  26   8.262   2.515  -7.599
  229    HA   GLU  26           HA       GLU  26   9.168  -0.040  -6.873
  230    HB2  GLU  26           1HB      GLU  26   9.165   2.579  -5.374
  231    HB3  GLU  26           2HB      GLU  26   9.921   1.127  -4.744
  232    HG2  GLU  26           1HG      GLU  26  11.559   2.582  -5.761
  233    HG3  GLU  26           2HG      GLU  26  11.430   1.074  -6.660
  234    H    LEU  27           H        LEU  27   6.529   1.946  -5.709
  235    HA   LEU  27           HA       LEU  27   5.897   0.560  -3.368
  236    HB2  LEU  27           1HB      LEU  27   5.035   2.802  -4.159
  237    HB3  LEU  27           2HB      LEU  27   3.952   1.933  -5.221
  238    HG   LEU  27           HG       LEU  27   3.874   1.437  -2.257
  239   HD11  LEU  27          1HD1      LEU  27   3.700   3.824  -2.463
  240   HD12  LEU  27          2HD1      LEU  27   2.092   3.166  -2.156
  241   HD13  LEU  27          3HD1      LEU  27   2.546   3.669  -3.784
  242   HD21  LEU  27          3HD2      LEU  27   1.536   0.885  -2.746
  243   HD22  LEU  27          1HD2      LEU  27   2.629  -0.083  -3.740
  244   HD23  LEU  27          2HD2      LEU  27   1.786   1.297  -4.441
  245    H    HIS  28           H        HIS  28   4.685   0.132  -6.694
  246    HA   HIS  28           HA       HIS  28   2.873  -1.936  -6.020
  247    HB2  HIS  28           1HB      HIS  28   2.829  -0.524  -8.133
  248    HB3  HIS  28           2HB      HIS  28   4.126  -1.552  -8.739
  249    HD1  HIS  28           HD1      HIS  28   3.312  -4.318  -8.289
  250    HD2  HIS  28           HD2      HIS  28   0.487  -1.382  -9.095
  251    HE1  HIS  28           HE1      HIS  28   1.232  -5.530  -9.018
  252    H    GLN  29           H        GLN  29   6.222  -1.971  -7.205
  253    HA   GLN  29           HA       GLN  29   6.416  -4.770  -7.469
  254    HB2  GLN  29           1HB      GLN  29   8.083  -3.226  -8.422
  255    HB3  GLN  29           2HB      GLN  29   8.606  -2.787  -6.802
  256    HG2  GLN  29           1HG      GLN  29   8.699  -5.642  -7.680
  257    HG3  GLN  29           2HG      GLN  29   9.958  -4.519  -8.187
  258   HE21  GLN  29          1HE2      GLN  29  10.006  -6.891  -6.386
  259   HE22  GLN  29          2HE2      GLN  29  10.704  -6.306  -4.905
  260    H    TYR  30           H        TYR  30   7.071  -2.595  -4.767
  261    HA   TYR  30           HA       TYR  30   7.947  -4.568  -2.955
  262    HB2  TYR  30           1HB      TYR  30   8.314  -2.110  -2.714
  263    HB3  TYR  30           2HB      TYR  30   6.606  -1.931  -2.332
  264    HD1  TYR  30           HD1      TYR  30   9.371  -4.187  -1.205
  265    HD2  TYR  30           HD2      TYR  30   6.219  -1.555  -0.093
  266    HE1  TYR  30           HE1      TYR  30   9.873  -4.601   1.166
  267    HE2  TYR  30           HE2      TYR  30   6.710  -1.966   2.282
  268    HH   TYR  30           HH       TYR  30   7.778  -3.694   3.674
  269    H    ALA  31           H        ALA  31   4.779  -3.589  -4.015
  270    HA   ALA  31           HA       ALA  31   3.312  -4.661  -1.819
  271    HB1  ALA  31           3HB      ALA  31   1.375  -4.513  -3.337
  272    HB2  ALA  31           1HB      ALA  31   2.465  -4.137  -4.671
  273    HB3  ALA  31           2HB      ALA  31   2.315  -3.021  -3.312
  274    H    GLN  32           H        GLN  32   4.284  -5.871  -4.985
  275    HA   GLN  32           HA       GLN  32   3.085  -8.450  -4.589
  276    HB2  GLN  32           1HB      GLN  32   5.073  -7.469  -6.647
  277    HB3  GLN  32           2HB      GLN  32   4.278  -9.038  -6.685
  278    HG2  GLN  32           1HG      GLN  32   2.742  -6.458  -6.663
  279    HG3  GLN  32           2HG      GLN  32   3.311  -7.206  -8.151
  280   HE21  GLN  32          1HE2      GLN  32   2.313  -9.189  -5.483
  281   HE22  GLN  32          2HE2      GLN  32   0.825  -9.726  -6.171
  282    H    ARG  33           H        ARG  33   6.048  -6.939  -3.811
  283    HA   ARG  33           HA       ARG  33   7.642  -9.254  -3.426
  284    HB2  ARG  33           1HB      ARG  33   8.653  -7.063  -3.671
  285    HB3  ARG  33           2HB      ARG  33   7.793  -6.465  -2.262
  286    HG2  ARG  33           1HG      ARG  33  10.061  -6.835  -1.654
  287    HG3  ARG  33           2HG      ARG  33   9.080  -8.073  -0.872
  288    HD2  ARG  33           1HD      ARG  33   9.795  -9.734  -2.394
  289    HD3  ARG  33           2HD      ARG  33  10.491  -8.535  -3.485
  290    HE   ARG  33           HE       ARG  33  11.704  -8.462  -0.901
  291   HH11  ARG  33          1HH1      ARG  33  11.669 -10.192  -3.945
  292   HH12  ARG  33          2HH1      ARG  33  13.307 -10.749  -3.788
  293   HH21  ARG  33          1HH2      ARG  33  13.862  -9.156  -0.714
  294   HH22  ARG  33          2HH2      ARG  33  14.571 -10.126  -1.967
  295    H    LEU  34           H        LEU  34   5.227  -7.614  -1.525
  296    HA   LEU  34           HA       LEU  34   5.915  -9.214   0.823
  297    HB2  LEU  34           1HB      LEU  34   4.091  -6.841   0.503
  298    HB3  LEU  34           2HB      LEU  34   4.303  -7.723   2.002
  299    HG   LEU  34           HG       LEU  34   6.452  -6.192   0.534
  300   HD11  LEU  34          1HD1      LEU  34   6.378  -4.716   2.487
  301   HD12  LEU  34          2HD1      LEU  34   5.013  -5.636   3.122
  302   HD13  LEU  34          3HD1      LEU  34   4.846  -4.734   1.614
  303   HD21  LEU  34          3HD2      LEU  34   7.847  -6.670   2.485
  304   HD22  LEU  34          1HD2      LEU  34   7.365  -8.153   1.664
  305   HD23  LEU  34          2HD2      LEU  34   6.566  -7.675   3.160
  306    H    GLY  35           H        GLY  35   3.364  -8.824  -1.567
  307    HA2  GLY  35           1HA      GLY  35   2.180 -10.997  -1.943
  308    HA3  GLY  35           2HA      GLY  35   1.960 -11.045  -0.203
  309    H    LEU  36           H        LEU  36   1.510  -8.252  -2.364
  310    HA   LEU  36           HA       LEU  36  -1.265  -8.151  -1.401
  311    HB2  LEU  36           1HB      LEU  36   0.279  -5.965  -2.788
  312    HB3  LEU  36           2HB      LEU  36  -1.281  -5.823  -1.998
  313    HG   LEU  36           HG       LEU  36   1.381  -6.289  -0.660
  314   HD11  LEU  36          1HD1      LEU  36   0.894  -4.129   0.396
  315   HD12  LEU  36          2HD1      LEU  36  -0.583  -4.000  -0.558
  316   HD13  LEU  36          3HD1      LEU  36   0.988  -3.993  -1.359
  317   HD21  LEU  36          3HD2      LEU  36  -0.364  -7.600   0.437
  318   HD22  LEU  36          1HD2      LEU  36  -1.374  -6.158   0.561
  319   HD23  LEU  36          2HD2      LEU  36   0.150  -6.247   1.443
  320    H    ASN  37           H        ASN  37  -2.935  -8.325  -2.729
  321    HA   ASN  37           HA       ASN  37  -2.498  -8.547  -5.592
  322    HB2  ASN  37           1HB      ASN  37  -5.035  -8.927  -5.604
  323    HB3  ASN  37           2HB      ASN  37  -4.042 -10.161  -4.845
  324   HD21  ASN  37          1HD2      ASN  37  -4.725  -7.106  -3.273
  325   HD22  ASN  37          2HD2      ASN  37  -5.765  -7.762  -2.052
  326    H    GLU  38           H        GLU  38  -3.778  -7.233  -7.094
  327    HA   GLU  38           HA       GLU  38  -3.164  -4.549  -6.654
  328    HB2  GLU  38           1HB      GLU  38  -4.905  -5.838  -8.740
  329    HB3  GLU  38           2HB      GLU  38  -4.432  -4.142  -8.775
  330    HG2  GLU  38           1HG      GLU  38  -2.121  -4.726  -8.956
  331    HG3  GLU  38           2HG      GLU  38  -2.490  -6.433  -8.710
  332    H    GLU  39           H        GLU  39  -6.131  -6.255  -6.034
  333    HA   GLU  39           HA       GLU  39  -7.956  -4.177  -5.800
  334    HB2  GLU  39           1HB      GLU  39  -8.665  -6.449  -5.543
  335    HB3  GLU  39           2HB      GLU  39  -7.575  -6.690  -4.184
  336    HG2  GLU  39           1HG      GLU  39  -9.783  -6.512  -3.332
  337    HG3  GLU  39           2HG      GLU  39  -8.909  -5.045  -2.892
  338    H    ALA  40           H        ALA  40  -5.770  -5.470  -3.335
  339    HA   ALA  40           HA       ALA  40  -6.541  -3.641  -1.314
  340    HB1  ALA  40           3HB      ALA  40  -4.023  -5.287  -1.495
  341    HB2  ALA  40           1HB      ALA  40  -5.561  -5.845  -0.838
  342    HB3  ALA  40           2HB      ALA  40  -4.688  -4.537  -0.043
  343    H    ILE  41           H        ILE  41  -4.294  -3.514  -3.923
  344    HA   ILE  41           HA       ILE  41  -2.610  -1.477  -2.878
  345    HB   ILE  41           HB       ILE  41  -3.097  -2.214  -5.768
  346   HG12  ILE  41          1HG1      ILE  41  -1.037  -3.214  -3.787
  347   HG13  ILE  41          2HG1      ILE  41  -2.378  -4.148  -4.449
  348   HG21  ILE  41          1HG2      ILE  41  -2.034  -0.046  -5.552
  349   HG22  ILE  41          2HG2      ILE  41  -0.868  -1.230  -6.143
  350   HG23  ILE  41          3HG2      ILE  41  -0.828  -0.720  -4.455
  351   HD11  ILE  41          3HD1      ILE  41  -1.373  -3.937  -6.687
  352   HD12  ILE  41          1HD1      ILE  41  -0.315  -4.751  -5.533
  353   HD13  ILE  41          2HD1      ILE  41  -0.015  -3.070  -5.971
  354    H    ARG  42           H        ARG  42  -5.400  -1.473  -5.088
  355    HA   ARG  42           HA       ARG  42  -5.485   1.320  -5.444
  356    HB2  ARG  42           1HB      ARG  42  -6.661  -0.215  -6.937
  357    HB3  ARG  42           2HB      ARG  42  -7.716  -0.653  -5.612
  358    HG2  ARG  42           1HG      ARG  42  -8.530   1.629  -5.488
  359    HG3  ARG  42           2HG      ARG  42  -7.516   2.062  -6.862
  360    HD2  ARG  42           1HD      ARG  42  -9.755   0.042  -6.862
  361    HD3  ARG  42           2HD      ARG  42  -9.832   1.669  -7.530
  362    HE   ARG  42           HE       ARG  42  -8.324  -0.595  -8.633
  363   HH11  ARG  42          1HH1      ARG  42  -9.352   2.747  -8.903
  364   HH12  ARG  42          2HH1      ARG  42  -9.127   2.802 -10.629
  365   HH21  ARG  42          1HH2      ARG  42  -8.001  -0.510 -10.888
  366   HH22  ARG  42          2HH2      ARG  42  -8.350   0.961 -11.749
  367    H    GLN  43           H        GLN  43  -6.910  -0.837  -3.080
  368    HA   GLN  43           HA       GLN  43  -8.590   0.924  -1.733
  369    HB2  GLN  43           1HB      GLN  43  -8.655  -1.425  -1.223
  370    HB3  GLN  43           2HB      GLN  43  -6.970  -1.419  -0.709
  371    HG2  GLN  43           1HG      GLN  43  -7.565   0.021   1.186
  372    HG3  GLN  43           2HG      GLN  43  -9.252  -0.022   0.679
  373   HE21  GLN  43          1HE2      GLN  43  -7.234  -2.821   0.371
  374   HE22  GLN  43          2HE2      GLN  43  -7.972  -3.739   1.633
  375    H    PHE  44           H        PHE  44  -5.106   0.496  -1.509
  376    HA   PHE  44           HA       PHE  44  -4.815   1.932   0.930
  377    HB2  PHE  44           1HB      PHE  44  -3.223   0.225  -0.386
  378    HB3  PHE  44           2HB      PHE  44  -2.525   1.742  -0.950
  379    HD1  PHE  44           HD1      PHE  44  -3.185  -0.367   1.972
  380    HD2  PHE  44           HD2      PHE  44  -1.301   3.176   0.546
  381    HE1  PHE  44           HE1      PHE  44  -1.936  -0.189   4.081
  382    HE2  PHE  44           HE2      PHE  44  -0.045   3.358   2.656
  383    HZ   PHE  44           HZ       PHE  44  -0.363   1.670   4.424
  384    H    PHE  45           H        PHE  45  -4.948   2.844  -2.418
  385    HA   PHE  45           HA       PHE  45  -4.047   5.553  -1.814
  386    HB2  PHE  45           1HB      PHE  45  -4.829   4.217  -4.408
  387    HB3  PHE  45           2HB      PHE  45  -4.447   5.929  -4.285
  388    HD1  PHE  45           HD1      PHE  45  -2.144   6.577  -3.451
  389    HD2  PHE  45           HD2      PHE  45  -3.148   2.633  -4.680
  390    HE1  PHE  45           HE1      PHE  45   0.241   6.079  -3.780
  391    HE2  PHE  45           HE2      PHE  45  -0.762   2.126  -5.008
  392    HZ   PHE  45           HZ       PHE  45   0.935   3.849  -4.559
  393    H    GLU  46           H        GLU  46  -6.852   4.207  -3.567
  394    HA   GLU  46           HA       GLU  46  -8.210   6.719  -3.389
  395    HB2  GLU  46           1HB      GLU  46  -9.085   4.034  -4.447
  396    HB3  GLU  46           2HB      GLU  46 -10.065   5.492  -4.538
  397    HG2  GLU  46           1HG      GLU  46  -8.298   6.578  -5.851
  398    HG3  GLU  46           2HG      GLU  46  -7.360   5.086  -5.795
  399    H    GLU  47           H        GLU  47  -8.865   3.483  -2.031
  400    HA   GLU  47           HA       GLU  47 -11.145   4.501  -0.572
  401    HB2  GLU  47           1HB      GLU  47 -10.868   2.143  -1.609
  402    HB3  GLU  47           2HB      GLU  47  -9.925   1.783  -0.169
  403    HG2  GLU  47           1HG      GLU  47 -11.869   2.443   1.213
  404    HG3  GLU  47           2HG      GLU  47 -12.800   2.663  -0.266
  405    H    PHE  48           H        PHE  48  -8.266   5.304  -0.076
  406    HA   PHE  48           HA       PHE  48  -7.856   4.549   2.696
  407    HB2  PHE  48           1HB      PHE  48  -5.985   4.739   1.060
  408    HB3  PHE  48           2HB      PHE  48  -6.315   6.459   0.940
  409    HD1  PHE  48           HD1      PHE  48  -5.685   3.915   3.599
  410    HD2  PHE  48           HD2      PHE  48  -4.962   7.847   2.140
  411    HE1  PHE  48           HE1      PHE  48  -4.132   4.317   5.461
  412    HE2  PHE  48           HE2      PHE  48  -3.410   8.257   4.001
  413    HZ   PHE  48           HZ       PHE  48  -2.992   6.491   5.666
  414    H    GLU  49           H        GLU  49  -7.898   7.687   1.001
  415    HA   GLU  49           HA       GLU  49  -9.827   8.730   2.896
  416    HB2  GLU  49           1HB      GLU  49  -8.478  10.667   3.529
  417    HB3  GLU  49           2HB      GLU  49  -7.734   9.163   4.050
  418    HG2  GLU  49           1HG      GLU  49  -6.131   9.277   2.262
  419    HG3  GLU  49           2HG      GLU  49  -6.932  10.695   1.583
  420    H    GLN  50           H        GLN  50  -8.047   9.040  -0.082
  421    HA   GLN  50           HA       GLN  50  -9.347  11.450  -0.942
  422    HB2  GLN  50           1HB      GLN  50  -7.718   9.436  -2.501
  423    HB3  GLN  50           2HB      GLN  50  -8.201  11.026  -3.072
  424    HG2  GLN  50           1HG      GLN  50  -6.860  12.058  -1.295
  425    HG3  GLN  50           2HG      GLN  50  -6.353  10.453  -0.765
  426   HE21  GLN  50          1HE2      GLN  50  -6.843  11.238  -4.098
  427   HE22  GLN  50          2HE2      GLN  50  -5.177  11.198  -4.577
  428    H    ARG  51           H        ARG  51 -11.137   9.521  -0.150
  429    HA   ARG  51           HA       ARG  51 -12.120   7.987  -2.382
  430    HB2  ARG  51           1HB      ARG  51 -13.677   8.424   0.140
  431    HB3  ARG  51           2HB      ARG  51 -13.592   6.993  -0.876
  432    HG2  ARG  51           1HG      ARG  51 -11.260   6.646  -0.092
  433    HG3  ARG  51           2HG      ARG  51 -11.482   7.995   1.023
  434    HD2  ARG  51           1HD      ARG  51 -13.531   6.716   1.858
  435    HD3  ARG  51           2HD      ARG  51 -12.852   5.337   0.997
  436    HE   ARG  51           HE       ARG  51 -10.797   6.198   2.538
  437   HH11  ARG  51          1HH1      ARG  51 -14.132   5.414   3.211
  438   HH12  ARG  51          2HH1      ARG  51 -13.795   4.751   4.783
  439   HH21  ARG  51          1HH2      ARG  51 -10.346   5.371   4.625
  440   HH22  ARG  51          2HH2      ARG  51 -11.646   4.740   5.591
  441    H    LYS  52           H        LYS  52 -12.811   9.400  -3.964
  442    HA   LYS  52           HA       LYS  52 -15.161  11.032  -3.268
  443    HB2  LYS  52           1HB      LYS  52 -12.941  11.789  -5.183
  444    HB3  LYS  52           2HB      LYS  52 -14.433  12.691  -4.971
  445    HG2  LYS  52           1HG      LYS  52 -13.818  13.131  -2.634
  446    HG3  LYS  52           2HG      LYS  52 -12.306  12.255  -2.886
  447    HD2  LYS  52           1HD      LYS  52 -11.661  13.852  -4.612
  448    HD3  LYS  52           2HD      LYS  52 -13.179  14.723  -4.389
  449    HE2  LYS  52           1HE      LYS  52 -11.365  15.850  -3.228
  450    HE3  LYS  52           2HE      LYS  52 -12.545  15.224  -2.078
  451    HZ1  LYS  52           3HZ      LYS  52 -10.226  14.829  -1.408
  452    HZ2  LYS  52           1HZ      LYS  52  -9.998  13.861  -2.780
  453    HZ3  LYS  52           2HZ      LYS  52 -11.101  13.391  -1.577
  Start of MODEL   43
    1    H1   MET   1           1H       MET   1 -14.366 -10.789   2.129
    2    H2   MET   1           2H       MET   1 -12.788 -10.379   1.658
    3    H3   MET   1           3H       MET   1 -13.645  -9.369   2.718
    4    HA   MET   1           HA       MET   1 -13.664 -11.095   4.396
    5    HB2  MET   1           1HB      MET   1 -13.561 -13.016   2.858
    6    HB3  MET   1           2HB      MET   1 -11.919 -12.575   2.409
    7    HG2  MET   1           1HG      MET   1 -11.224 -12.930   4.751
    8    HG3  MET   1           2HG      MET   1 -12.859 -13.476   5.121
    9    HE1  MET   1           3HE      MET   1 -10.749 -16.792   5.210
   10    HE2  MET   1           1HE      MET   1 -11.909 -15.796   6.087
   11    HE3  MET   1           2HE      MET   1 -10.286 -15.186   5.769
   12    H    LYS   2           H        LYS   2 -10.741 -10.807   2.364
   13    HA   LYS   2           HA       LYS   2  -9.553  -9.108   4.434
   14    HB2  LYS   2           1HB      LYS   2  -7.392 -10.312   4.192
   15    HB3  LYS   2           2HB      LYS   2  -8.658 -11.303   4.906
   16    HG2  LYS   2           1HG      LYS   2  -9.019 -12.399   2.760
   17    HG3  LYS   2           2HG      LYS   2  -7.765 -11.396   2.029
   18    HD2  LYS   2           1HD      LYS   2  -6.128 -12.343   3.622
   19    HD3  LYS   2           2HD      LYS   2  -7.390 -13.400   4.257
   20    HE2  LYS   2           1HE      LYS   2  -5.983 -14.580   2.653
   21    HE3  LYS   2           2HE      LYS   2  -7.636 -14.435   2.057
   22    HZ1  LYS   2           3HZ      LYS   2  -5.397 -12.646   1.275
   23    HZ2  LYS   2           1HZ      LYS   2  -6.964 -12.640   0.632
   24    HZ3  LYS   2           2HZ      LYS   2  -5.941 -13.962   0.354
   25    H    GLN   3           H        GLN   3  -7.494  -8.046   3.545
   26    HA   GLN   3           HA       GLN   3  -7.965  -7.451   0.687
   27    HB2  GLN   3           1HB      GLN   3  -7.277  -5.450   2.846
   28    HB3  GLN   3           2HB      GLN   3  -7.447  -5.092   1.134
   29    HG2  GLN   3           1HG      GLN   3  -9.819  -5.856   1.292
   30    HG3  GLN   3           2HG      GLN   3  -9.601  -5.974   3.037
   31   HE21  GLN   3          1HE2      GLN   3  -9.338  -4.083   4.250
   32   HE22  GLN   3          2HE2      GLN   3  -9.776  -2.530   3.609
   33    H    TRP   4           H        TRP   4  -5.632  -6.883   3.305
   34    HA   TRP   4           HA       TRP   4  -3.450  -7.213   1.355
   35    HB2  TRP   4           1HB      TRP   4  -2.943  -6.257   4.144
   36    HB3  TRP   4           2HB      TRP   4  -2.144  -5.798   2.649
   37    HD1  TRP   4           HD1      TRP   4  -5.610  -5.214   4.301
   38    HE1  TRP   4           HE1      TRP   4  -6.325  -2.791   3.805
   39    HE3  TRP   4           HE3      TRP   4  -1.649  -3.768   1.423
   40    HZ2  TRP   4           HZ2      TRP   4  -5.357  -0.582   2.377
   41    HZ3  TRP   4           HZ3      TRP   4  -1.627  -1.481   0.532
   42    HH2  TRP   4           HH2      TRP   4  -3.439   0.076   1.002
   43    H    SER   5           H        SER   5  -1.453  -8.315   2.386
   44    HA   SER   5           HA       SER   5  -2.098 -10.505   4.098
   45    HB2  SER   5           1HB      SER   5  -0.064 -10.530   2.658
   46    HB3  SER   5           2HB      SER   5   0.599  -9.204   3.608
   47    HG   SER   5           HG       SER   5   1.447 -11.088   4.422
   48    H    GLU   6           H        GLU   6  -2.456 -10.371   6.233
   49    HA   GLU   6           HA       GLU   6  -3.080  -8.271   7.690
   50    HB2  GLU   6           1HB      GLU   6  -3.022 -10.700   8.405
   51    HB3  GLU   6           2HB      GLU   6  -1.375 -10.409   8.948
   52    HG2  GLU   6           1HG      GLU   6  -2.734 -10.189  10.850
   53    HG3  GLU   6           2HG      GLU   6  -2.301  -8.548  10.370
   54    H    ASN   7           H        ASN   7   0.337  -9.377   7.653
   55    HA   ASN   7           HA       ASN   7   1.169  -7.225   9.337
   56    HB2  ASN   7           1HB      ASN   7   2.445  -9.537   8.055
   57    HB3  ASN   7           2HB      ASN   7   3.500  -8.148   8.299
   58   HD21  ASN   7          1HD2      ASN   7   1.595 -10.611   9.836
   59   HD22  ASN   7          2HD2      ASN   7   2.223 -10.369  11.437
   60    H    VAL   8           H        VAL   8   0.633  -7.439   6.002
   61    HA   VAL   8           HA       VAL   8   2.702  -5.640   5.170
   62    HB   VAL   8           HB       VAL   8   0.238  -6.659   3.753
   63   HG11  VAL   8          1HG1      VAL   8   1.262  -5.736   1.710
   64   HG12  VAL   8          2HG1      VAL   8   2.491  -4.952   2.701
   65   HG13  VAL   8          3HG1      VAL   8   0.797  -4.489   2.860
   66   HG21  VAL   8          3HG2      VAL   8   1.957  -8.337   4.208
   67   HG22  VAL   8          1HG2      VAL   8   3.175  -7.309   3.453
   68   HG23  VAL   8          2HG2      VAL   8   1.864  -7.984   2.484
   69    H    GLU   9           H        GLU   9  -0.707  -5.347   6.007
   70    HA   GLU   9           HA       GLU   9  -1.259  -2.777   5.134
   71    HB2  GLU   9           1HB      GLU   9  -2.888  -4.354   6.155
   72    HB3  GLU   9           2HB      GLU   9  -2.164  -4.062   7.726
   73    HG2  GLU   9           1HG      GLU   9  -3.263  -1.785   6.138
   74    HG3  GLU   9           2HG      GLU   9  -4.346  -2.838   7.042
   75    H    GLU  10           H        GLU  10   0.283  -3.854   8.101
   76    HA   GLU  10           HA       GLU  10   0.746  -1.392   9.316
   77    HB2  GLU  10           1HB      GLU  10   1.082  -3.303  10.630
   78    HB3  GLU  10           2HB      GLU  10   2.103  -4.071   9.425
   79    HG2  GLU  10           1HG      GLU  10   3.902  -2.555   9.912
   80    HG3  GLU  10           2HG      GLU  10   2.879  -1.649  11.032
   81    H    LYS  11           H        LYS  11   3.007  -3.316   7.361
   82    HA   LYS  11           HA       LYS  11   5.070  -1.400   7.523
   83    HB2  LYS  11           1HB      LYS  11   5.520  -3.756   7.258
   84    HB3  LYS  11           2HB      LYS  11   4.708  -3.768   5.699
   85    HG2  LYS  11           1HG      LYS  11   6.411  -2.289   4.786
   86    HG3  LYS  11           2HG      LYS  11   7.220  -2.247   6.351
   87    HD2  LYS  11           1HD      LYS  11   6.732  -4.785   4.801
   88    HD3  LYS  11           2HD      LYS  11   8.220  -3.843   4.686
   89    HE2  LYS  11           1HE      LYS  11   7.109  -4.967   7.253
   90    HE3  LYS  11           2HE      LYS  11   8.345  -5.759   6.275
   91    HZ1  LYS  11           3HZ      LYS  11   8.650  -3.015   7.367
   92    HZ2  LYS  11           1HZ      LYS  11   9.846  -3.995   6.669
   93    HZ3  LYS  11           2HZ      LYS  11   9.186  -4.401   8.181
   94    H    LEU  12           H        LEU  12   2.637  -2.044   5.014
   95    HA   LEU  12           HA       LEU  12   3.950  -0.565   2.991
   96    HB2  LEU  12           1HB      LEU  12   2.041  -2.225   2.706
   97    HB3  LEU  12           2HB      LEU  12   0.972  -0.908   3.141
   98    HG   LEU  12           HG       LEU  12   2.048   0.396   1.235
   99   HD11  LEU  12          1HD1      LEU  12   2.973  -1.092  -0.565
  100   HD12  LEU  12          2HD1      LEU  12   3.090  -2.362   0.651
  101   HD13  LEU  12          3HD1      LEU  12   4.011  -0.870   0.842
  102   HD21  LEU  12          3HD2      LEU  12   0.434  -2.065   0.611
  103   HD22  LEU  12          1HD2      LEU  12   0.650  -0.685  -0.465
  104   HD23  LEU  12          2HD2      LEU  12  -0.198  -0.486   1.069
  105    H    LYS  13           H        LYS  13   1.378   0.351   5.290
  106    HA   LYS  13           HA       LYS  13   1.065   2.973   4.359
  107    HB2  LYS  13           1HB      LYS  13  -0.235   3.390   6.207
  108    HB3  LYS  13           2HB      LYS  13  -0.290   1.630   6.173
  109    HG2  LYS  13           1HG      LYS  13   1.590   1.592   7.728
  110    HG3  LYS  13           2HG      LYS  13   1.514   3.346   7.842
  111    HD2  LYS  13           1HD      LYS  13  -0.718   3.231   8.770
  112    HD3  LYS  13           2HD      LYS  13  -0.748   1.476   8.564
  113    HE2  LYS  13           1HE      LYS  13   1.270   2.927  10.285
  114    HE3  LYS  13           2HE      LYS  13  -0.247   2.263  10.904
  115    HZ1  LYS  13           3HZ      LYS  13   1.823   0.656   9.501
  116    HZ2  LYS  13           1HZ      LYS  13   0.435   0.075  10.290
  117    HZ3  LYS  13           2HZ      LYS  13   1.694   0.779  11.187
  118    H    GLU  14           H        GLU  14   3.440   1.474   6.359
  119    HA   GLU  14           HA       GLU  14   4.520   3.965   7.284
  120    HB2  GLU  14           1HB      GLU  14   5.500   1.129   7.544
  121    HB3  GLU  14           2HB      GLU  14   6.290   2.516   8.284
  122    HG2  GLU  14           1HG      GLU  14   4.195   3.005   9.500
  123    HG3  GLU  14           2HG      GLU  14   3.496   1.534   8.824
  124    H    PHE  15           H        PHE  15   4.896   2.071   4.484
  125    HA   PHE  15           HA       PHE  15   7.517   3.218   3.911
  126    HB2  PHE  15           1HB      PHE  15   6.611   0.776   3.379
  127    HB3  PHE  15           2HB      PHE  15   6.036   1.571   1.921
  128    HD1  PHE  15           HD1      PHE  15   9.140   1.691   3.976
  129    HD2  PHE  15           HD2      PHE  15   7.464   1.195   0.080
  130    HE1  PHE  15           HE1      PHE  15  11.397   1.437   3.035
  131    HE2  PHE  15           HE2      PHE  15   9.720   0.946  -0.851
  132    HZ   PHE  15           HZ       PHE  15  11.689   1.066   0.620
  133    H    VAL  16           H        VAL  16   4.161   3.525   2.987
  134    HA   VAL  16           HA       VAL  16   4.795   5.353   0.820
  135    HB   VAL  16           HB       VAL  16   2.079   4.568   1.891
  136   HG11  VAL  16          1HG1      VAL  16   1.265   5.313  -0.304
  137   HG12  VAL  16          2HG1      VAL  16   2.897   5.843  -0.715
  138   HG13  VAL  16          3HG1      VAL  16   2.023   6.620   0.605
  139   HG21  VAL  16          3HG2      VAL  16   3.621   3.401  -0.424
  140   HG22  VAL  16          1HG2      VAL  16   1.969   2.988   0.033
  141   HG23  VAL  16          2HG2      VAL  16   3.307   2.605   1.118
  142    H    LYS  17           H        LYS  17   3.546   5.454   4.092
  143    HA   LYS  17           HA       LYS  17   3.158   8.352   3.839
  144    HB2  LYS  17           1HB      LYS  17   1.112   7.598   4.522
  145    HB3  LYS  17           2HB      LYS  17   1.784   6.221   5.380
  146    HG2  LYS  17           1HG      LYS  17   2.252   7.476   7.281
  147    HG3  LYS  17           2HG      LYS  17   2.117   9.012   6.417
  148    HD2  LYS  17           1HD      LYS  17  -0.311   8.524   6.086
  149    HD3  LYS  17           2HD      LYS  17  -0.114   7.092   7.094
  150    HE2  LYS  17           1HE      LYS  17   0.416   9.933   7.974
  151    HE3  LYS  17           2HE      LYS  17  -1.040   9.010   8.334
  152    HZ1  LYS  17           3HZ      LYS  17   0.515   8.975  10.179
  153    HZ2  LYS  17           1HZ      LYS  17   1.711   8.286   9.192
  154    HZ3  LYS  17           2HZ      LYS  17   0.298   7.418   9.547
  155    H    ARG  18           H        ARG  18   4.549   5.885   5.966
  156    HA   ARG  18           HA       ARG  18   5.534   7.900   7.789
  157    HB2  ARG  18           1HB      ARG  18   4.642   5.528   8.343
  158    HB3  ARG  18           2HB      ARG  18   6.255   4.990   7.909
  159    HG2  ARG  18           1HG      ARG  18   7.235   6.231   9.674
  160    HG3  ARG  18           2HG      ARG  18   5.722   7.084   9.996
  161    HD2  ARG  18           1HD      ARG  18   4.688   4.866  10.549
  162    HD3  ARG  18           2HD      ARG  18   6.301   4.157  10.430
  163    HE   ARG  18           HE       ARG  18   5.999   6.404  12.259
  164   HH11  ARG  18          1HH1      ARG  18   6.211   2.910  11.868
  165   HH12  ARG  18          2HH1      ARG  18   6.533   2.640  13.553
  166   HH21  ARG  18          1HH2      ARG  18   6.397   6.013  14.465
  167   HH22  ARG  18          2HH2      ARG  18   6.619   4.381  15.026
  168    H    HIS  19           H        HIS  19   6.712   6.122   5.092
  169    HA   HIS  19           HA       HIS  19   9.462   7.003   5.575
  170    HB2  HIS  19           1HB      HIS  19   8.175   5.011   3.773
  171    HB3  HIS  19           2HB      HIS  19   9.634   5.799   3.188
  172    HD1  HIS  19           HD1      HIS  19   8.497   3.722   6.180
  173    HD2  HIS  19           HD2      HIS  19  11.926   4.697   4.049
  174    HE1  HIS  19           HE1      HIS  19  10.359   2.298   7.135
  175    H    GLN  20           H        GLN  20   7.289   8.817   5.096
  176    HA   GLN  20           HA       GLN  20   6.916  10.777   4.090
  177    HB2  GLN  20           1HB      GLN  20   9.425  10.096   2.611
  178    HB3  GLN  20           2HB      GLN  20   8.515  11.563   2.276
  179    HG2  GLN  20           1HG      GLN  20   8.768  12.166   4.680
  180    HG3  GLN  20           2HG      GLN  20   9.837  10.775   4.860
  181   HE21  GLN  20          1HE2      GLN  20  11.864  10.804   3.860
  182   HE22  GLN  20          2HE2      GLN  20  12.583  12.286   3.324
  183    H    ARG  21           H        ARG  21   7.906   8.456   1.597
  184    HA   ARG  21           HA       ARG  21   5.454   8.231   0.321
  185    HB2  ARG  21           1HB      ARG  21   5.943  10.751   0.037
  186    HB3  ARG  21           2HB      ARG  21   7.178  10.259  -1.106
  187    HG2  ARG  21           1HG      ARG  21   5.602   9.430  -2.625
  188    HG3  ARG  21           2HG      ARG  21   4.317   9.417  -1.412
  189    HD2  ARG  21           1HD      ARG  21   5.676  11.901  -2.456
  190    HD3  ARG  21           2HD      ARG  21   4.115  11.297  -3.015
  191    HE   ARG  21           HE       ARG  21   3.447  11.544  -0.565
  192   HH11  ARG  21          1HH1      ARG  21   5.802  13.621  -2.132
  193   HH12  ARG  21          2HH1      ARG  21   5.459  14.987  -1.108
  194   HH21  ARG  21          1HH2      ARG  21   3.009  13.345   0.789
  195   HH22  ARG  21          2HH2      ARG  21   3.884  14.833   0.542
  196    H    ILE  22           H        ILE  22   5.781   7.532  -2.084
  197    HA   ILE  22           HA       ILE  22   8.401   6.524  -2.740
  198    HB   ILE  22           HB       ILE  22   7.584   4.789  -1.196
  199   HG12  ILE  22          1HG1      ILE  22   7.601   3.893  -4.087
  200   HG13  ILE  22          2HG1      ILE  22   9.022   4.125  -3.075
  201   HG21  ILE  22          1HG2      ILE  22   5.186   5.158  -1.545
  202   HG22  ILE  22          2HG2      ILE  22   5.627   3.457  -1.705
  203   HG23  ILE  22          3HG2      ILE  22   5.317   4.428  -3.144
  204   HD11  ILE  22          3HD1      ILE  22   8.478   1.781  -3.267
  205   HD12  ILE  22          1HD1      ILE  22   6.853   2.087  -2.654
  206   HD13  ILE  22          2HD1      ILE  22   8.250   2.330  -1.606
  207    H    THR  23           H        THR  23   8.587   6.015  -4.920
  208    HA   THR  23           HA       THR  23   6.703   7.041  -6.742
  209    HB   THR  23           HB       THR  23   8.054   5.679  -8.449
  210    HG1  THR  23           HG1      THR  23   9.501   5.137  -6.053
  211   HG21  THR  23          3HG2      THR  23   9.488   7.634  -6.652
  212   HG22  THR  23          1HG2      THR  23   8.462   8.046  -8.026
  213   HG23  THR  23          2HG2      THR  23   9.981   7.188  -8.285
  214    H    GLN  24           H        GLN  24   5.286   6.004  -8.177
  215    HA   GLN  24           HA       GLN  24   3.725   4.030  -6.887
  216    HB2  GLN  24           1HB      GLN  24   2.882   5.835  -8.410
  217    HB3  GLN  24           2HB      GLN  24   3.507   4.906  -9.765
  218    HG2  GLN  24           1HG      GLN  24   2.046   3.024  -9.079
  219    HG3  GLN  24           2HG      GLN  24   1.352   4.068  -7.840
  220   HE21  GLN  24          1HE2      GLN  24   0.067   5.838  -8.481
  221   HE22  GLN  24          2HE2      GLN  24  -0.641   5.898 -10.058
  222    H    GLU  25           H        GLU  25   6.027   3.839  -9.566
  223    HA   GLU  25           HA       GLU  25   5.335   1.183 -10.330
  224    HB2  GLU  25           1HB      GLU  25   6.571   2.778 -11.786
  225    HB3  GLU  25           2HB      GLU  25   7.961   2.624 -10.722
  226    HG2  GLU  25           1HG      GLU  25   8.157   0.273 -11.263
  227    HG3  GLU  25           2HG      GLU  25   6.706   0.361 -12.260
  228    H    GLU  26           H        GLU  26   7.872   2.543  -8.269
  229    HA   GLU  26           HA       GLU  26   9.030   0.077  -7.525
  230    HB2  GLU  26           1HB      GLU  26  10.195   2.209  -7.267
  231    HB3  GLU  26           2HB      GLU  26   8.990   2.751  -6.111
  232    HG2  GLU  26           1HG      GLU  26   9.714   1.154  -4.499
  233    HG3  GLU  26           2HG      GLU  26  10.774   0.374  -5.673
  234    H    LEU  27           H        LEU  27   6.289   1.883  -6.402
  235    HA   LEU  27           HA       LEU  27   5.817   0.554  -3.964
  236    HB2  LEU  27           1HB      LEU  27   4.768   2.703  -4.808
  237    HB3  LEU  27           2HB      LEU  27   3.738   1.717  -5.822
  238    HG   LEU  27           HG       LEU  27   2.739   2.576  -3.646
  239   HD11  LEU  27          1HD1      LEU  27   1.707   0.776  -4.945
  240   HD12  LEU  27          2HD1      LEU  27   1.505   0.528  -3.211
  241   HD13  LEU  27          3HD1      LEU  27   2.708  -0.406  -4.099
  242   HD21  LEU  27          3HD2      LEU  27   4.698   2.130  -2.236
  243   HD22  LEU  27          1HD2      LEU  27   4.477   0.399  -2.485
  244   HD23  LEU  27          2HD2      LEU  27   3.251   1.333  -1.620
  245    H    HIS  28           H        HIS  28   4.705  -0.093  -7.279
  246    HA   HIS  28           HA       HIS  28   3.015  -2.247  -6.563
  247    HB2  HIS  28           1HB      HIS  28   3.053  -0.911  -8.775
  248    HB3  HIS  28           2HB      HIS  28   4.331  -2.025  -9.259
  249    HD1  HIS  28           HD1      HIS  28   3.222  -4.681  -8.220
  250    HD2  HIS  28           HD2      HIS  28   0.898  -1.805 -10.114
  251    HE1  HIS  28           HE1      HIS  28   1.179  -5.881  -9.074
  252    H    GLN  29           H        GLN  29   6.407  -2.067  -7.529
  253    HA   GLN  29           HA       GLN  29   6.909  -4.847  -7.628
  254    HB2  GLN  29           1HB      GLN  29   8.794  -2.610  -6.841
  255    HB3  GLN  29           2HB      GLN  29   9.272  -4.235  -7.307
  256    HG2  GLN  29           1HG      GLN  29   7.694  -2.493  -9.156
  257    HG3  GLN  29           2HG      GLN  29   9.443  -2.350  -9.034
  258   HE21  GLN  29          1HE2      GLN  29   7.793  -5.424  -8.704
  259   HE22  GLN  29          2HE2      GLN  29   8.353  -6.090 -10.195
  260    H    TYR  30           H        TYR  30   6.871  -2.500  -5.027
  261    HA   TYR  30           HA       TYR  30   7.908  -4.174  -2.991
  262    HB2  TYR  30           1HB      TYR  30   7.696  -1.612  -3.039
  263    HB3  TYR  30           2HB      TYR  30   6.021  -1.861  -2.564
  264    HD1  TYR  30           HD1      TYR  30   9.312  -3.283  -1.489
  265    HD2  TYR  30           HD2      TYR  30   5.673  -1.410  -0.335
  266    HE1  TYR  30           HE1      TYR  30  10.017  -3.375   0.865
  267    HE2  TYR  30           HE2      TYR  30   6.369  -1.495   2.022
  268    HH   TYR  30           HH       TYR  30   9.550  -2.197   2.972
  269    H    ALA  31           H        ALA  31   4.719  -3.664  -4.338
  270    HA   ALA  31           HA       ALA  31   3.217  -4.867  -2.260
  271    HB1  ALA  31           3HB      ALA  31   2.545  -4.612  -5.193
  272    HB2  ALA  31           1HB      ALA  31   2.208  -3.409  -3.949
  273    HB3  ALA  31           2HB      ALA  31   1.408  -4.979  -3.895
  274    H    GLN  32           H        GLN  32   4.694  -6.123  -5.205
  275    HA   GLN  32           HA       GLN  32   3.597  -8.762  -4.876
  276    HB2  GLN  32           1HB      GLN  32   5.861  -7.785  -6.634
  277    HB3  GLN  32           2HB      GLN  32   5.104  -9.368  -6.735
  278    HG2  GLN  32           1HG      GLN  32   2.995  -8.360  -7.365
  279    HG3  GLN  32           2HG      GLN  32   3.687  -6.751  -7.193
  280   HE21  GLN  32          1HE2      GLN  32   6.252  -7.597  -8.357
  281   HE22  GLN  32          2HE2      GLN  32   5.968  -7.732 -10.062
  282    H    ARG  33           H        ARG  33   6.355  -7.046  -3.791
  283    HA   ARG  33           HA       ARG  33   7.938  -9.283  -3.013
  284    HB2  ARG  33           1HB      ARG  33   9.067  -7.226  -3.334
  285    HB3  ARG  33           2HB      ARG  33   7.940  -6.356  -2.306
  286    HG2  ARG  33           1HG      ARG  33   8.824  -7.541  -0.351
  287    HG3  ARG  33           2HG      ARG  33   9.969  -8.386  -1.397
  288    HD2  ARG  33           1HD      ARG  33  11.166  -6.436  -1.858
  289    HD3  ARG  33           2HD      ARG  33   9.846  -5.391  -1.341
  290    HE   ARG  33           HE       ARG  33  10.799  -6.990   0.813
  291   HH11  ARG  33          1HH1      ARG  33  11.664  -4.201  -1.135
  292   HH12  ARG  33          2HH1      ARG  33  12.487  -3.389   0.167
  293   HH21  ARG  33          1HH2      ARG  33  11.861  -5.921   2.526
  294   HH22  ARG  33          2HH2      ARG  33  12.581  -4.358   2.257
  295    H    LEU  34           H        LEU  34   5.427  -7.359  -1.474
  296    HA   LEU  34           HA       LEU  34   5.889  -8.631   1.093
  297    HB2  LEU  34           1HB      LEU  34   3.872  -6.566   0.233
  298    HB3  LEU  34           2HB      LEU  34   4.039  -7.172   1.868
  299    HG   LEU  34           HG       LEU  34   6.094  -5.584   0.331
  300   HD11  LEU  34          1HD1      LEU  34   5.696  -3.908   2.084
  301   HD12  LEU  34          2HD1      LEU  34   4.412  -4.922   2.741
  302   HD13  LEU  34          3HD1      LEU  34   4.252  -4.234   1.124
  303   HD21  LEU  34          3HD2      LEU  34   7.396  -5.617   2.412
  304   HD22  LEU  34          1HD2      LEU  34   7.202  -7.233   1.734
  305   HD23  LEU  34          2HD2      LEU  34   6.228  -6.734   3.118
  306    H    GLY  35           H        GLY  35   3.644  -8.892  -1.579
  307    HA2  GLY  35           1HA      GLY  35   2.580 -11.080  -1.819
  308    HA3  GLY  35           2HA      GLY  35   2.321 -11.071  -0.079
  309    H    LEU  36           H        LEU  36   1.722  -8.499  -2.462
  310    HA   LEU  36           HA       LEU  36  -0.976  -8.342  -1.342
  311    HB2  LEU  36           1HB      LEU  36   0.627  -6.305  -2.873
  312    HB3  LEU  36           2HB      LEU  36  -1.025  -6.071  -2.327
  313    HG   LEU  36           HG       LEU  36   1.383  -6.494  -0.561
  314   HD11  LEU  36          1HD1      LEU  36   1.267  -4.267  -1.544
  315   HD12  LEU  36          2HD1      LEU  36   0.915  -4.215   0.184
  316   HD13  LEU  36          3HD1      LEU  36  -0.398  -4.097  -0.988
  317   HD21  LEU  36          3HD2      LEU  36  -0.210  -6.118   1.286
  318   HD22  LEU  36          1HD2      LEU  36  -0.553  -7.593   0.383
  319   HD23  LEU  36          2HD2      LEU  36  -1.537  -6.154   0.123
  320    H    ASN  37           H        ASN  37  -2.716  -8.670  -2.450
  321    HA   ASN  37           HA       ASN  37  -2.660  -9.112  -5.309
  322    HB2  ASN  37           1HB      ASN  37  -5.194  -9.351  -4.933
  323    HB3  ASN  37           2HB      ASN  37  -4.157 -10.567  -4.202
  324   HD21  ASN  37          1HD2      ASN  37  -4.410  -7.352  -2.849
  325   HD22  ASN  37          2HD2      ASN  37  -5.307  -7.816  -1.435
  326    H    GLU  38           H        GLU  38  -4.275  -7.896  -6.664
  327    HA   GLU  38           HA       GLU  38  -3.597  -5.168  -6.621
  328    HB2  GLU  38           1HB      GLU  38  -5.776  -6.615  -8.119
  329    HB3  GLU  38           2HB      GLU  38  -5.273  -4.961  -8.447
  330    HG2  GLU  38           1HG      GLU  38  -3.165  -5.636  -9.210
  331    HG3  GLU  38           2HG      GLU  38  -3.337  -7.249  -8.521
  332    H    GLU  39           H        GLU  39  -6.238  -6.899  -5.232
  333    HA   GLU  39           HA       GLU  39  -8.190  -5.050  -4.731
  334    HB2  GLU  39           1HB      GLU  39  -8.331  -7.368  -4.016
  335    HB3  GLU  39           2HB      GLU  39  -7.020  -7.127  -2.872
  336    HG2  GLU  39           1HG      GLU  39  -9.080  -7.181  -1.672
  337    HG3  GLU  39           2HG      GLU  39  -8.460  -5.530  -1.636
  338    H    ALA  40           H        ALA  40  -5.269  -5.615  -2.855
  339    HA   ALA  40           HA       ALA  40  -5.836  -3.501  -0.993
  340    HB1  ALA  40           3HB      ALA  40  -3.352  -5.174  -1.323
  341    HB2  ALA  40           1HB      ALA  40  -4.736  -5.588  -0.312
  342    HB3  ALA  40           2HB      ALA  40  -3.765  -4.168   0.065
  343    H    ILE  41           H        ILE  41  -3.817  -3.979  -3.801
  344    HA   ILE  41           HA       ILE  41  -2.066  -1.807  -3.411
  345    HB   ILE  41           HB       ILE  41  -2.928  -3.009  -6.049
  346   HG12  ILE  41          1HG1      ILE  41  -0.656  -3.817  -4.214
  347   HG13  ILE  41          2HG1      ILE  41  -2.131  -4.741  -4.490
  348   HG21  ILE  41          1HG2      ILE  41  -0.718  -2.250  -6.828
  349   HG22  ILE  41          2HG2      ILE  41  -0.457  -1.468  -5.268
  350   HG23  ILE  41          3HG2      ILE  41  -1.755  -0.915  -6.327
  351   HD11  ILE  41          3HD1      ILE  41  -0.250  -5.639  -5.740
  352   HD12  ILE  41          1HD1      ILE  41  -0.053  -4.095  -6.567
  353   HD13  ILE  41          2HD1      ILE  41  -1.515  -5.048  -6.819
  354    H    ARG  42           H        ARG  42  -4.999  -2.118  -5.399
  355    HA   ARG  42           HA       ARG  42  -5.077   0.600  -6.176
  356    HB2  ARG  42           1HB      ARG  42  -6.214  -1.164  -7.428
  357    HB3  ARG  42           2HB      ARG  42  -7.276  -1.413  -6.061
  358    HG2  ARG  42           1HG      ARG  42  -8.201   0.782  -6.306
  359    HG3  ARG  42           2HG      ARG  42  -7.090   1.129  -7.631
  360    HD2  ARG  42           1HD      ARG  42  -8.111  -0.717  -8.917
  361    HD3  ARG  42           2HD      ARG  42  -9.264  -0.962  -7.603
  362    HE   ARG  42           HE       ARG  42  -9.541   1.673  -8.208
  363   HH11  ARG  42          1HH1      ARG  42  -9.839  -1.318 -10.027
  364   HH12  ARG  42          2HH1      ARG  42 -10.863  -0.611 -11.239
  365   HH21  ARG  42          1HH2      ARG  42 -10.883   2.580  -9.772
  366   HH22  ARG  42          2HH2      ARG  42 -11.465   1.610 -11.092
  367    H    GLN  43           H        GLN  43  -6.204  -1.156  -3.425
  368    HA   GLN  43           HA       GLN  43  -8.259   0.497  -2.515
  369    HB2  GLN  43           1HB      GLN  43  -7.544  -1.823  -1.690
  370    HB3  GLN  43           2HB      GLN  43  -6.374  -0.976  -0.689
  371    HG2  GLN  43           1HG      GLN  43  -8.259  -1.399   0.666
  372    HG3  GLN  43           2HG      GLN  43  -8.293   0.323   0.277
  373   HE21  GLN  43          1HE2      GLN  43  -9.153  -2.221  -1.950
  374   HE22  GLN  43          2HE2      GLN  43 -10.842  -1.847  -2.034
  375    H    PHE  44           H        PHE  44  -4.803   0.511  -1.693
  376    HA   PHE  44           HA       PHE  44  -5.014   2.570   0.238
  377    HB2  PHE  44           1HB      PHE  44  -3.129   0.795  -0.246
  378    HB3  PHE  44           2HB      PHE  44  -2.467   2.082  -1.247
  379    HD1  PHE  44           HD1      PHE  44  -3.745   1.415   2.168
  380    HD2  PHE  44           HD2      PHE  44  -1.098   3.706  -0.253
  381    HE1  PHE  44           HE1      PHE  44  -2.774   2.401   4.191
  382    HE2  PHE  44           HE2      PHE  44  -0.117   4.709   1.774
  383    HZ   PHE  44           HZ       PHE  44  -0.954   4.060   4.001
  384    H    PHE  45           H        PHE  45  -4.686   2.613  -3.213
  385    HA   PHE  45           HA       PHE  45  -3.743   5.320  -3.354
  386    HB2  PHE  45           1HB      PHE  45  -4.903   3.491  -5.466
  387    HB3  PHE  45           2HB      PHE  45  -4.291   5.107  -5.797
  388    HD1  PHE  45           HD1      PHE  45  -1.898   4.968  -3.899
  389    HD2  PHE  45           HD2      PHE  45  -3.411   2.264  -6.818
  390    HE1  PHE  45           HE1      PHE  45   0.357   4.046  -4.207
  391    HE2  PHE  45           HE2      PHE  45  -1.152   1.342  -7.136
  392    HZ   PHE  45           HZ       PHE  45   0.734   2.232  -5.828
  393    H    GLU  46           H        GLU  46  -6.880   3.768  -4.098
  394    HA   GLU  46           HA       GLU  46  -8.022   6.371  -4.581
  395    HB2  GLU  46           1HB      GLU  46  -9.320   3.651  -4.632
  396    HB3  GLU  46           2HB      GLU  46 -10.070   5.150  -5.162
  397    HG2  GLU  46           1HG      GLU  46  -7.977   5.308  -6.714
  398    HG3  GLU  46           2HG      GLU  46  -7.891   3.570  -6.433
  399    H    GLU  47           H        GLU  47  -8.085   3.996  -1.994
  400    HA   GLU  47           HA       GLU  47 -10.045   5.679  -0.592
  401    HB2  GLU  47           1HB      GLU  47 -10.485   3.192  -0.844
  402    HB3  GLU  47           2HB      GLU  47  -9.135   2.930   0.253
  403    HG2  GLU  47           1HG      GLU  47 -10.249   4.004   2.037
  404    HG3  GLU  47           2HG      GLU  47 -11.488   4.655   0.969
  405    H    PHE  48           H        PHE  48  -7.357   6.471  -0.965
  406    HA   PHE  48           HA       PHE  48  -5.799   6.291   1.369
  407    HB2  PHE  48           1HB      PHE  48  -5.361   7.403  -0.987
  408    HB3  PHE  48           2HB      PHE  48  -6.033   8.831  -0.207
  409    HD1  PHE  48           HD1      PHE  48  -3.481   6.191   0.438
  410    HD2  PHE  48           HD2      PHE  48  -4.574  10.290   0.781
  411    HE1  PHE  48           HE1      PHE  48  -1.263   6.702   1.377
  412    HE2  PHE  48           HE2      PHE  48  -2.363  10.809   1.720
  413    HZ   PHE  48           HZ       PHE  48  -0.701   9.009   2.018
  414    H    GLU  49           H        GLU  49  -5.509   8.359   2.851
  415    HA   GLU  49           HA       GLU  49  -7.899   8.704   4.279
  416    HB2  GLU  49           1HB      GLU  49  -6.731  10.318   5.628
  417    HB3  GLU  49           2HB      GLU  49  -5.640   8.994   5.253
  418    HG2  GLU  49           1HG      GLU  49  -4.480  10.304   3.636
  419    HG3  GLU  49           2HG      GLU  49  -5.677  11.596   3.751
  420    H    GLN  50           H        GLN  50  -6.544  10.499   1.626
  421    HA   GLN  50           HA       GLN  50  -8.213  12.791   1.863
  422    HB2  GLN  50           1HB      GLN  50  -6.912  11.678  -0.630
  423    HB3  GLN  50           2HB      GLN  50  -7.502  13.320  -0.397
  424    HG2  GLN  50           1HG      GLN  50  -5.828  13.603   1.415
  425    HG3  GLN  50           2HG      GLN  50  -5.187  12.012   1.010
  426   HE21  GLN  50          1HE2      GLN  50  -5.712  12.462  -1.865
  427   HE22  GLN  50          2HE2      GLN  50  -4.436  13.507  -2.401
  428    H    ARG  51           H        ARG  51  -8.366   9.840  -0.109
  429    HA   ARG  51           HA       ARG  51 -10.104   8.592  -0.846
  430    HB2  ARG  51           1HB      ARG  51 -10.927   9.840   1.617
  431    HB3  ARG  51           2HB      ARG  51 -12.310   9.500   0.601
  432    HG2  ARG  51           1HG      ARG  51 -11.771   7.181   0.534
  433    HG3  ARG  51           2HG      ARG  51 -10.228   7.476   1.351
  434    HD2  ARG  51           1HD      ARG  51 -11.473   8.394   3.258
  435    HD3  ARG  51           2HD      ARG  51 -12.974   7.936   2.469
  436    HE   ARG  51           HE       ARG  51 -11.182   5.724   2.779
  437   HH11  ARG  51          1HH1      ARG  51 -13.554   7.696   4.404
  438   HH12  ARG  51          2HH1      ARG  51 -14.043   6.455   5.514
  439   HH21  ARG  51          1HH2      ARG  51 -11.808   4.049   4.243
  440   HH22  ARG  51          2HH2      ARG  51 -13.055   4.367   5.412
  441    H    LYS  52           H        LYS  52 -12.806   9.119  -1.103
  442    HA   LYS  52           HA       LYS  52 -13.108  11.512  -2.715
  443    HB2  LYS  52           1HB      LYS  52 -14.137   9.918  -4.539
  444    HB3  LYS  52           2HB      LYS  52 -12.408  10.232  -4.514
  445    HG2  LYS  52           1HG      LYS  52 -11.908   8.131  -3.651
  446    HG3  LYS  52           2HG      LYS  52 -13.549   7.877  -3.063
  447    HD2  LYS  52           1HD      LYS  52 -13.217   8.229  -5.983
  448    HD3  LYS  52           2HD      LYS  52 -12.605   6.730  -5.284
  449    HE2  LYS  52           1HE      LYS  52 -14.916   6.482  -6.040
  450    HE3  LYS  52           2HE      LYS  52 -14.778   6.275  -4.295
  451    HZ1  LYS  52           3HZ      LYS  52 -15.741   8.704  -5.711
  452    HZ2  LYS  52           1HZ      LYS  52 -15.540   8.579  -4.027
  453    HZ3  LYS  52           2HZ      LYS  52 -16.686   7.613  -4.822