*HEADER    DNA BINDING PROTEIN                     02-SEP-02   1MM2              
*TITLE     SOLUTION STRUCTURE OF THE 2ND PHD DOMAIN FROM MI2B                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MI2-BETA;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MI2-BETA (RESIDUES 446-501);                               
*COMPND   5 SYNONYM: CHROMODOMAIN HELICASE-DNA-BINDING PROTEIN 4;                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CHD4;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-6P                                   
*KEYWDS    PHD, ZINC FINGER, PROTEIN SCAFFOLD                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.Y.KWAN, D.A.GELL, A.VERGER, M.CROSSLEY, J.M.MATTHEWS,             
*AUTHOR   2 J.P.MACKAY                                                           
*REVDAT   1   22-JUL-03 1MM2    0                                                

 ASSI {    2}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.16221E-01 ppm1      4.658 ppm2      9.676 CV     1
 ASSI {    3}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 48   and name HE1 ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.29960E-01 ppm1      7.304 ppm2      9.824 CV     1
 ASSI {    4}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.65580E-02 ppm1      4.433 ppm2      9.336 CV     1
 ASSI {    6}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.93641E-02 ppm1      3.866 ppm2      9.337 CV     1
 ASSI {    8}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.200     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.11249E-01 ppm1      4.326 ppm2      3.845 CV     1
 ASSI {   15}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.41714E-02 ppm1      5.536 ppm2      9.197 CV     1
 ASSI {   16}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.45806E-02 ppm1      2.977 ppm2      9.197 CV     1
 ASSI {   17}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.87004E-02 ppm1      2.422 ppm2      9.198 CV     1
 ASSI {   20}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      1.600     0.300     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.42986E-01 ppm1      2.974 ppm2      2.405 CV     1
 ASSI {   21}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.62966E-02 ppm1      5.536 ppm2      2.406 CV     1
 ASSI {   22}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.91819E-02 ppm1      5.534 ppm2      2.961 CV     1
 ASSI {   23}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.10385E-01 ppm1      3.887 ppm2      9.197 CV     1
 ASSI {   24}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.77788E-02 ppm1      4.534 ppm2      9.099 CV     1
 ASSI {   26}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.76447E-02 ppm1      2.968 ppm2      9.101 CV     1
 ASSI {   28}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10753E-01 ppm1      4.536 ppm2      3.197 CV     1
 ASSI {   29}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.300     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.18157E-01 ppm1      4.533 ppm2      2.950 CV     1
 ASSI {   30}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.69672E-02 ppm1      3.467 ppm2      9.093 CV     1
 ASSI {   31}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.76859E-02 ppm1      3.320 ppm2      9.093 CV     1
 ASSI {   37}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.13632E-01 ppm1      0.787 ppm2      9.032 CV     1
 ASSI {   38}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      4.200     2.200     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.29021E-02 ppm1      0.601 ppm2      9.034 CV     1
 ASSI {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.800     1.000     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.84219E-02 ppm1      1.250 ppm2      0.368 CV     1
 ASSI {   48}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      2.400     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.23409E-01 ppm1      0.791 ppm2      0.368 CV     1
 ASSI {   49}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      2.200     0.600     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.27102E-01 ppm1      0.602 ppm2      0.368 CV     1
 ASSI {   55}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.19069E-01 ppm1      4.336 ppm2      0.775 CV     1
 ASSI {   56}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      3.300     1.300     1.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.43330E-02 ppm1      4.336 ppm2      0.586 CV     1
 ASSI {   57}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      3.200     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.19148E-01 ppm1      4.336 ppm2      0.367 CV     1
 ASSI {   58}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.43158E-02 ppm1      4.112 ppm2      8.990 CV     1
 ASSI {   59}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.65924E-02 ppm1      2.273 ppm2      8.990 CV     1
 ASSI {   60}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12088E-01 ppm1      2.135 ppm2      8.990 CV     1
 ASSI {   61}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.14199E-01 ppm1      1.832 ppm2      8.989 CV     1
 OR {   61}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {   68}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.64754E-02 ppm1      4.109 ppm2      2.258 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      2.900     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.26259E-01 ppm1      4.109 ppm2      2.125 CV     1
 ASSI {   70}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.78201E-02 ppm1      4.107 ppm2      1.817 CV     1
 OR {   70}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   77}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.96289E-02 ppm1      1.063 ppm2      9.677 CV     1
 ASSI {   78}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.100     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.61935E-01 ppm1      4.654 ppm2      1.051 CV     1
 ASSI {   79}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.87107E-02 ppm1      4.007 ppm2      8.840 CV     1
 ASSI {   80}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.18618E-01 ppm1      2.298 ppm2      8.840 CV     1
 ASSI {   81}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11331E-01 ppm1      1.317 ppm2      8.841 CV     1
 ASSI {   82}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.64892E-02 ppm1      1.134 ppm2      8.841 CV     1
 ASSI {   83}
   (  segid "    " and resid 14   and name HG1%)
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.41920E-01 ppm1      1.314 ppm2      1.122 CV     1
 ASSI {   84}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.26242E-01 ppm1      2.304 ppm2      1.122 CV     1
 ASSI {   85}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG1%)
      2.300     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.25094E-01 ppm1      2.304 ppm2      1.301 CV     1
 ASSI {   86}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG1%)
      2.400     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.25372E-01 ppm1      4.009 ppm2      1.301 CV     1
 ASSI {   87}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.500     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23219E-01 ppm1      4.009 ppm2      1.123 CV     1
 ASSI {   89}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.61763E-02 ppm1      4.176 ppm2      8.830 CV     1
 ASSI {   90}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.17607E-01 ppm1      2.649 ppm2      8.829 CV     1
 OR {   90}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   93}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.94604E-02 ppm1      1.879 ppm2      8.830 CV     1
 ASSI {   94}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.97149E-02 ppm1      1.698 ppm2      8.830 CV     1
 ASSI {   96}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.16857E-01 ppm1      2.647 ppm2      1.674 CV     1
 OR {   96}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {   99}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak    99 spectrum    1 weight  0.10000E+01 volume  0.47319E-02 ppm1      2.647 ppm2      1.865 CV     1
 OR {   99}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  102}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      2.800     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.11960E-01 ppm1      4.182 ppm2      2.635 CV     1
 OR {  102}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  104}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.10117E-01 ppm1      4.189 ppm2      8.775 CV     1
 ASSI {  105}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.300     2.300     1.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.32161E-02 ppm1      2.247 ppm2      8.775 CV     1
 ASSI {  106}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.900     3.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.12335E-02 ppm1      2.174 ppm2      8.775 CV     1
 ASSI {  107}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.10526E-01 ppm1      2.091 ppm2      8.775 CV     1
 ASSI {  108}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   108 spectrum    1 weight  0.10000E+01 volume  0.12944E-01 ppm1      2.022 ppm2      8.775 CV     1
 ASSI {  114}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.15730E-01 ppm1      3.321 ppm2      8.679 CV     1
 ASSI {  115}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.700     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.44396E-02 ppm1      2.798 ppm2      8.679 CV     1
 ASSI {  120}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      4.200     2.200     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      1.779 ppm2      8.676 CV     1
 ASSI {  121}
   (( segid "    " and resid 43   and name HG13))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.96220E-02 ppm1      1.079 ppm2      8.676 CV     1
 ASSI {  122}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.100     1.100 peak   122 spectrum    1 weight  0.10000E+01 volume  0.76412E-02 ppm1      0.907 ppm2      8.675 CV     1
 ASSI {  124}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HD1%)
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.16613E-01 ppm1      1.782 ppm2      0.776 CV     1
 ASSI {  127}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.70119E-02 ppm1      0.790 ppm2      8.675 CV     1
 ASSI {  131}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      4.400     2.400     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.38756E-02 ppm1      3.923 ppm2      0.776 CV     1
 ASSI {  133}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG13))
      3.400     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.66749E-02 ppm1      3.923 ppm2      1.067 CV     1
 ASSI {  135}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.46494E-02 ppm1      4.551 ppm2      8.648 CV     1
 ASSI {  136}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.16758E-01 ppm1      3.673 ppm2      8.646 CV     1
 ASSI {  137}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HA2 ))
      1.800     0.400     0.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.55985E-01 ppm1      4.554 ppm2      3.659 CV     1
 ASSI {  142}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.900     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.12662E-01 ppm1      5.312 ppm2      2.982 CV     1
 ASSI {  143}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.11252E-01 ppm1      5.312 ppm2      3.085 CV     1
 ASSI {  146}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.58805E-02 ppm1      4.683 ppm2      8.596 CV     1
 ASSI {  151}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HA2 ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.48282E-02 ppm1      4.503 ppm2      3.901 CV     1
 ASSI {  153}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.11930E-01 ppm1      2.777 ppm2      8.563 CV     1
 OR {  153}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  155}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.20345E-02 ppm1      4.366 ppm2      8.541 CV     1
 ASSI {  165}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.96530E-02 ppm1      2.239 ppm2      8.453 CV     1
 ASSI {  166}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.46116E-02 ppm1      1.567 ppm2      8.453 CV     1
 ASSI {  170}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.67781E-02 ppm1      4.587 ppm2      8.404 CV     1
 ASSI {  171}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.67574E-02 ppm1      2.642 ppm2      8.404 CV     1
 OR {  171}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  172}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.22803E-01 ppm1      4.588 ppm2      2.630 CV     1
 OR {  172}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  173}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.94501E-02 ppm1      4.370 ppm2      8.390 CV     1
 ASSI {  174}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.500     1.600     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.76825E-02 ppm1      2.239 ppm2      8.390 CV     1
 OR {  174}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  175}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.19340E-01 ppm1      1.989 ppm2      8.390 CV     1
 ASSI {  187}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.32422E-02 ppm1      3.341 ppm2      8.352 CV     1
 ASSI {  188}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.30410E-02 ppm1      3.210 ppm2      8.353 CV     1
 ASSI {  197}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD2 ))
      4.100     2.100     1.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.41439E-02 ppm1      4.183 ppm2      3.330 CV     1
 ASSI {  198}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD3 ))
      4.100     2.100     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      4.183 ppm2      3.196 CV     1
 ASSI {  202}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.65030E-02 ppm1      4.995 ppm2      8.347 CV     1
 ASSI {  203}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.11878E-01 ppm1      2.917 ppm2      8.348 CV     1
 ASSI {  204}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.10626E-01 ppm1      2.625 ppm2      8.347 CV     1
 ASSI {  206}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.14223E-01 ppm1      4.999 ppm2      2.612 CV     1
 ASSI {  207}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.85697E-02 ppm1      4.999 ppm2      2.906 CV     1
 ASSI {  208}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.28942E-02 ppm1      5.735 ppm2      7.581 CV     1
 ASSI {  210}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.52306E-02 ppm1      3.335 ppm2      7.580 CV     1
 ASSI {  217}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.81605E-02 ppm1      5.040 ppm2      8.226 CV     1
 ASSI {  219}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.76963E-02 ppm1      2.724 ppm2      8.226 CV     1
 ASSI {  223}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.18694E-01 ppm1      5.043 ppm2      3.260 CV     1
 ASSI {  224}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.20145E-01 ppm1      5.039 ppm2      2.706 CV     1
 ASSI {  236}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.55985E-02 ppm1      4.283 ppm2      8.233 CV     1
 ASSI {  245}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.13405E-01 ppm1      4.676 ppm2      3.134 CV     1
 ASSI {  246}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.900     1.000     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11276E-01 ppm1      4.676 ppm2      3.069 CV     1
 ASSI {  247}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.33240E-01 ppm1      4.173 ppm2      8.149 CV     1
 ASSI {  252}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.43296E-02 ppm1      1.314 ppm2      8.149 CV     1
 ASSI {  253}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.35042E-02 ppm1      1.212 ppm2      8.148 CV     1
 ASSI {  254}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.33258E-02 ppm1      2.207 ppm2      8.149 CV     1
 ASSI {  266}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.37862E-02 ppm1      3.398 ppm2      8.073 CV     1
 ASSI {  267}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.79026E-02 ppm1      3.007 ppm2      8.073 CV     1
 ASSI {  269}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.25094E-01 ppm1      4.933 ppm2      2.988 CV     1
 ASSI {  270}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      1.700     0.400     0.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.65889E-01 ppm1      3.405 ppm2      2.986 CV     1
 ASSI {  277}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.500     1.600     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.21552E-02 ppm1      4.301 ppm2      1.850 CV     1
 ASSI {  283}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.10781E-01 ppm1      4.025 ppm2      8.001 CV     1
 ASSI {  284}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.79679E-02 ppm1      2.833 ppm2      8.001 CV     1
 ASSI {  285}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.14388E-01 ppm1      2.631 ppm2      8.001 CV     1
 ASSI {  287}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.900     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10998E-01 ppm1      4.028 ppm2      2.616 CV     1
 ASSI {  288}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.16496E-01 ppm1      4.028 ppm2      2.824 CV     1
 ASSI {  300}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak   300 spectrum    1 weight  0.10000E+01 volume  0.71942E-02 ppm1      4.352 ppm2      7.991 CV     1
 ASSI {  301}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.12776E-01 ppm1      1.439 ppm2      7.993 CV     1
 ASSI {  302}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.13178E-01 ppm1      1.248 ppm2      7.993 CV     1
 ASSI {  303}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.75209E-02 ppm1      0.910 ppm2      7.993 CV     1
 ASSI {  304}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.46047E-02 ppm1      0.419 ppm2      7.993 CV     1
 ASSI {  305}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      4.700     2.700     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.23935E-02 ppm1      4.356 ppm2      0.405 CV     1
 ASSI {  308}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.400     1.500     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.38309E-02 ppm1      4.354 ppm2      1.421 CV     1
 ASSI {  309}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.13742E-02 ppm1      4.190 ppm2      7.820 CV     1
 ASSI {  314}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.17941E-03 ppm1      1.389 ppm2      7.821 CV     1
 OR {  314}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  321}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.25998E-02 ppm1      4.048 ppm2      8.118 CV     1
 ASSI {  327}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.14746E-01 ppm1      2.920 ppm2      7.687 CV     1
 OR {  327}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  331}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      3.000     1.100     1.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.13659E-01 ppm1      4.000 ppm2      1.001 CV     1
 ASSI {  341}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      2.200     0.600     0.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.17095E-01 ppm1      1.747 ppm2      7.531 CV     1
 ASSI {  342}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.57086E-02 ppm1      1.539 ppm2      7.530 CV     1
 ASSI {  343}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.15705E-01 ppm1      1.459 ppm2      7.530 CV     1
 ASSI {  344}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.34733E-02 ppm1      0.931 ppm2      7.530 CV     1
 ASSI {  345}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.29007E-02 ppm1      0.711 ppm2      7.530 CV     1
 ASSI {  346}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.95705E-02 ppm1      4.454 ppm2      7.402 CV     1
 ASSI {  348}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   348 spectrum    1 weight  0.10000E+01 volume  0.11809E-01 ppm1      2.878 ppm2      7.402 CV     1
 ASSI {  349}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.11641E-01 ppm1      4.451 ppm2      3.270 CV     1
 ASSI {  350}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.79954E-02 ppm1      4.451 ppm2      2.865 CV     1
 ASSI {  355}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   355 spectrum    1 weight  0.10000E+01 volume  0.57292E-02 ppm1      3.125 ppm2      7.134 CV     1
 ASSI {  359}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.800     2.900     1.200 peak   359 spectrum    1 weight  0.10000E+01 volume  0.81605E-03 ppm1      4.667 ppm2      7.018 CV     1
 ASSI {  360}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.800     1.800     1.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.23003E-02 ppm1      3.152 ppm2      7.019 CV     1
 ASSI {  361}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.28278E-02 ppm1      3.072 ppm2      7.018 CV     1
 ASSI {  362}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.18102E-01 ppm1      4.402 ppm2      6.981 CV     1
 ASSI {  363}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.35283E-02 ppm1      2.054 ppm2      6.983 CV     1
 ASSI {  369}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.79610E-02 ppm1      1.589 ppm2      6.870 CV     1
 ASSI {  385}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.66233E-02 ppm1      4.460 ppm2      6.688 CV     1
 ASSI {  387}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.26311E-02 ppm1      2.461 ppm2      6.688 CV     1
 ASSI {  388}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.600     0.300     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.66749E-01 ppm1      2.715 ppm2      2.447 CV     1
 ASSI {  389}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.15362E-01 ppm1      4.465 ppm2      2.446 CV     1
 ASSI {  390}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.18395E-01 ppm1      4.465 ppm2      2.699 CV     1
 ASSI {  395}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15179E-01 ppm1      1.189 ppm2      6.870 CV     1
 ASSI {  398}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.36659E-02 ppm1      0.757 ppm2      6.870 CV     1
 ASSI {  399}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.93710E-02 ppm1      4.181 ppm2      6.500 CV     1
 ASSI {  400}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      1.800     0.400     0.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.36521E-01 ppm1      1.732 ppm2      6.502 CV     1
 ASSI {  401}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.11194E-01 ppm1      1.473 ppm2      6.501 CV     1
 OR {  401}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  405}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HE1 ))
      4.100     2.100     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.35696E-02 ppm1      7.516 ppm2      8.595 CV     1
 ASSI {  424}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      3.500     1.500     1.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.86798E-02 ppm1      1.450 ppm2     -0.150 CV     1
 ASSI {  425}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 21   and name HD2%)
      2.200     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26596E-01 ppm1      1.258 ppm2     -0.150 CV     1
 ASSI {  426}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      2.500     0.800     0.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11163E-01 ppm1      0.913 ppm2     -0.150 CV     1
 ASSI {  427}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 21   and name HD2%)
      2.200     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.36487E-01 ppm1      0.423 ppm2     -0.150 CV     1
 ASSI {  428}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.20269E-01 ppm1      1.450 ppm2      0.405 CV     1
 ASSI {  430}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 21   and name HD1%)
      2.200     0.600     0.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.27408E-01 ppm1      1.258 ppm2      0.405 CV     1
 ASSI {  431}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.14433E-01 ppm1      0.910 ppm2      0.403 CV     1
 ASSI {  434}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.11118E-01 ppm1      1.255 ppm2     -0.634 CV     1
 ASSI {  436}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
      2.700     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.32594E-01 ppm1      0.788 ppm2     -0.634 CV     1
 ASSI {  440}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
      2.300     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.27546E-01 ppm1      0.384 ppm2     -0.633 CV     1
 ASSI {  441}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.22587E-01 ppm1      2.086 ppm2      0.631 CV     1
 ASSI {  442}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HD1%)
      2.200     0.600     0.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.29385E-01 ppm1      1.463 ppm2      0.631 CV     1
 ASSI {  443}
   (( segid "    " and resid 33   and name HG13))
   (  segid "    " and resid 33   and name HD1%)
      2.300     0.700     0.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25812E-01 ppm1      1.291 ppm2      0.631 CV     1
 ASSI {  448}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.200     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.30830E-01 ppm1      2.086 ppm2      0.774 CV     1
 ASSI {  449}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG13))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.80436E-02 ppm1      2.086 ppm2      1.277 CV     1
 ASSI {  451}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD2%)
      2.000     0.500     0.500 peak   451 spectrum    1 weight  0.10000E+01 volume  0.33595E-01 ppm1      1.737 ppm2      0.544 CV     1
 ASSI {  490}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight  0.10000E+01 volume  0.42470E-02 ppm1      5.730 ppm2      3.324 CV     1
 ASSI {  495}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HD3 ))
      4.600     2.600     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.22514E-02 ppm1      3.908 ppm2      3.140 CV     1
 ASSI {  500}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.400     1.400     1.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.41507E-02 ppm1      3.291 ppm2      1.690 CV     1
 ASSI {  501}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG3 ))
      3.800     1.800     1.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.90924E-03 ppm1      3.291 ppm2      1.606 CV     1
 ASSI {  502}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.38653E-02 ppm1      3.292 ppm2      1.364 CV     1
 ASSI {  505}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG2 ))
      4.100     2.200     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.54747E-03 ppm1      3.154 ppm2      1.691 CV     1
 ASSI {  506}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG3 ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.49898E-02 ppm1      3.154 ppm2      1.606 CV     1
 ASSI {  507}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.400     1.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.31913E-02 ppm1      3.152 ppm2      1.365 CV     1
 ASSI {  510}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.25190E-02 ppm1      4.683 ppm2      3.863 CV     1
 ASSI {  519}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HD3 ))
      5.300     3.600     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.26167E-03 ppm1      4.474 ppm2      3.395 CV     1
 ASSI {  528}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HD3 ))
      1.600     0.300     0.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.46597E-01 ppm1      3.682 ppm2      3.396 CV     1
 ASSI {  533}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HB2 ))
      4.500     2.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.18171E-02 ppm1      3.412 ppm2      2.313 CV     1
 ASSI {  542}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.700     2.800     1.300 peak   542 spectrum    1 weight  0.10000E+01 volume  0.58461E-03 ppm1      3.982 ppm2      8.443 CV     1
 ASSI {  560}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HD1 ))
      2.900     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.14584E-01 ppm1      4.535 ppm2      7.292 CV     1
 ASSI {  562}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE1 ))
      5.300     3.600     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.83703E-03 ppm1      4.542 ppm2      9.823 CV     1
 ASSI {  563}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE1 ))
      5.800     4.200     0.200 peak   563 spectrum    1 weight  0.10000E+01 volume  0.49383E-03 ppm1      3.217 ppm2      9.823 CV     1
 ASSI {  564}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HE1 ))
      5.800     4.200     0.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.45531E-03 ppm1      2.966 ppm2      9.821 CV     1
 ASSI {  565}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.22167E-02 ppm1      3.983 ppm2      8.118 CV     1
 ASSI {  577}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG  ))
      3.200     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.63929E-02 ppm1      1.249 ppm2      0.586 CV     1
 ASSI {  578}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.12817E-01 ppm1      3.673 ppm2      8.776 CV     1
 ASSI {  579}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.700     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.22569E-01 ppm1      4.551 ppm2      8.777 CV     1
 ASSI {  585}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      5.200     3.300     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.10179E-02 ppm1      2.247 ppm2      7.993 CV     1
 ASSI {  586}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.51893E-03 ppm1      2.174 ppm2      7.993 CV     1
 ASSI {  587}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.26521E-02 ppm1      2.091 ppm2      7.992 CV     1
 ASSI {  589}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      4.900     3.000     1.100 peak   589 spectrum    1 weight  0.10000E+01 volume  0.73936E-03 ppm1      2.022 ppm2      7.993 CV     1
 ASSI {  590}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.200     2.200     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.19468E-02 ppm1      8.007 ppm2      8.775 CV     1
 ASSI {  591}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.66577E-02 ppm1      0.912 ppm2      9.033 CV     1
 ASSI {  593}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.41301E-02 ppm1      1.441 ppm2      9.034 CV     1
 ASSI {  595}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.800     1.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.11850E-02 ppm1      8.009 ppm2      9.035 CV     1
 ASSI {  598}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   598 spectrum    1 weight  0.10000E+01 volume  0.15998E-01 ppm1      0.399 ppm2      8.457 CV     1
 ASSI {  599}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.27171E-02 ppm1      0.601 ppm2      8.457 CV     1
 ASSI {  600}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.400     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.43124E-02 ppm1      0.787 ppm2      8.457 CV     1
 ASSI {  601}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.600     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      1.246 ppm2      8.457 CV     1
 ASSI {  603}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.800     2.900     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.10361E-02 ppm1      8.470 ppm2      9.035 CV     1
 ASSI {  604}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.17896E-02 ppm1      1.567 ppm2      8.598 CV     1
 ASSI {  607}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12112E-01 ppm1      2.732 ppm2      8.598 CV     1
 ASSI {  608}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      1.900     0.400     0.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.33423E-01 ppm1      3.875 ppm2      2.716 CV     1
 ASSI {  609}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.500     0.800     0.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.12408E-01 ppm1      4.682 ppm2      2.717 CV     1
 ASSI {  611}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.500     3.800     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.43055E-03 ppm1      8.613 ppm2      8.455 CV     1
 ASSI {  612}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.25647E-01 ppm1      4.683 ppm2      9.244 CV     1
 ASSI {  615}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.200     3.300     0.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.79610E-03 ppm1      8.613 ppm2      9.244 CV     1
 ASSI {  617}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.500     1.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.28601E-02 ppm1      2.799 ppm2      9.677 CV     1
 ASSI {  618}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.55469E-02 ppm1      2.733 ppm2      9.677 CV     1
 ASSI {  619}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.90753E-02 ppm1      9.260 ppm2      9.676 CV     1
 ASSI {  621}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.400     1.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.24832E-02 ppm1      1.063 ppm2      8.225 CV     1
 ASSI {  622}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      3.274 ppm2      8.226 CV     1
 ASSI {  627}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB2 ))
      4.300     2.300     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.23546E-02 ppm1      3.526 ppm2      2.211 CV     1
 ASSI {  631}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.800     1.000     1.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.78820E-02 ppm1      3.526 ppm2      1.782 CV     1
 OR {  631}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  632}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      4.100     2.100     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.17968E-02 ppm1      4.359 ppm2      3.510 CV     1
 ASSI {  634}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HD3 ))
      1.800     0.400     0.400 peak   634 spectrum    1 weight  0.10000E+01 volume  0.32948E-01 ppm1      3.733 ppm2      3.511 CV     1
 ASSI {  637}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      2.400     0.700     0.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.12483E-01 ppm1      5.038 ppm2      3.511 CV     1
 ASSI {  642}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      3.736 ppm2      9.336 CV     1
 ASSI {  643}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.28467E-02 ppm1      3.526 ppm2      9.336 CV     1
 ASSI {  645}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.22594E-02 ppm1      1.925 ppm2      9.336 CV     1
 ASSI {  646}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.63413E-02 ppm1      3.863 ppm2      7.581 CV     1
 ASSI {  647}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   647 spectrum    1 weight  0.10000E+01 volume  0.24898E-02 ppm1      4.327 ppm2      7.581 CV     1
 ASSI {  648}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.24031E-01 ppm1      4.433 ppm2      7.580 CV     1
 ASSI {  649}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.400     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      7.591 ppm2      9.337 CV     1
 ASSI {  650}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 43   and name HD1%)
      2.800     1.000     1.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.16909E-01 ppm1      0.910 ppm2      0.776 CV     1
 ASSI {  652}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HG13))
      3.300     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.52718E-02 ppm1      1.782 ppm2      1.067 CV     1
 ASSI {  655}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HG13))
      1.600     0.300     0.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.56707E-01 ppm1      1.593 ppm2      1.066 CV     1
 ASSI {  658}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13508E-01 ppm1      1.595 ppm2      8.676 CV     1
 ASSI {  659}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      2.300     0.700     0.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.25293E-01 ppm1      3.936 ppm2      3.669 CV     1
 ASSI {  668}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.46563E-02 ppm1      2.777 ppm2      8.120 CV     1
 OR {  668}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  669}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.42126E-02 ppm1      4.049 ppm2      8.391 CV     1
 ASSI {  670}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.37037E-02 ppm1      3.986 ppm2      8.391 CV     1
 ASSI {  671}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.000     0.500     0.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.50208E-01 ppm1      4.370 ppm2      9.101 CV     1
 ASSI {  672}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      4.100     2.100     1.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.45634E-02 ppm1      2.239 ppm2      9.101 CV     1
 OR {  672}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  673}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.59424E-02 ppm1      1.904 ppm2      9.101 CV     1
 ASSI {  674}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.37725E-02 ppm1      1.989 ppm2      9.101 CV     1
 ASSI {  675}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.100     0.600     0.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.44396E-01 ppm1      4.530 ppm2      6.869 CV     1
 ASSI {  684}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      1.700     0.400     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.36315E-01 ppm1      1.180 ppm2      0.877 CV     1
 ASSI {  686}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD2%)
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.51755E-02 ppm1      1.180 ppm2      0.734 CV     1
 ASSI {  694}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
      4.600     2.600     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13773E-02 ppm1      0.757 ppm2      9.094 CV     1
 ASSI {  695}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      4.300     2.300     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.41095E-02 ppm1      0.830 ppm2      9.094 CV     1
 ASSI {  696}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.32167E-02 ppm1      0.901 ppm2      9.094 CV     1
 ASSI {  697}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   697 spectrum    1 weight  0.10000E+01 volume  0.34733E-02 ppm1      1.189 ppm2      9.094 CV     1
 ASSI {  698}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 50   and name HN  ))
      5.100     3.200     0.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      1.589 ppm2      9.094 CV     1
 ASSI {  703}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.22177E-02 ppm1      8.136 ppm2      8.563 CV     1
 ASSI {  705}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.300     1.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.20513E-02 ppm1      8.406 ppm2      9.100 CV     1
 ASSI {  706}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HN  ))
      4.900     2.900     1.100 peak   706 spectrum    1 weight  0.10000E+01 volume  0.64651E-03 ppm1      2.017 ppm2      6.983 CV     1
 ASSI {  710}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.200     1.900 peak   710 spectrum    1 weight  0.10000E+01 volume  0.34052E-02 ppm1      2.018 ppm2      8.676 CV     1
 ASSI {  711}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.15141E-02 ppm1      1.833 ppm2      8.675 CV     1
 OR {  711}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  712}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.15066E-02 ppm1      6.996 ppm2      8.677 CV     1
 ASSI {  724}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HG3 ))
      2.900     1.100     1.100 peak   724 spectrum    1 weight  0.10000E+01 volume  0.39341E-02 ppm1      3.793 ppm2      1.533 CV     1
 ASSI {  728}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      3.907 ppm2      6.981 CV     1
 ASSI {  729}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.44155E-02 ppm1      3.791 ppm2      6.981 CV     1
 ASSI {  733}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.700     2.800     1.300 peak   733 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      2.250 ppm2      6.980 CV     1
 ASSI {  735}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.35730E-02 ppm1      4.007 ppm2      8.074 CV     1
 ASSI {  737}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.98696E-02 ppm1      1.134 ppm2      8.072 CV     1
 ASSI {  739}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   739 spectrum    1 weight  0.10000E+01 volume  0.15262E-01 ppm1      8.090 ppm2      8.841 CV     1
 ASSI {  742}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
      3.200     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.76378E-02 ppm1      1.811 ppm2      1.193 CV     1
 ASSI {  743}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.600     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.10661E-01 ppm1      2.208 ppm2      1.193 CV     1
 ASSI {  750}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.900     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.13085E-01 ppm1      2.208 ppm2      1.303 CV     1
 ASSI {  759}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.800     1.000     1.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.63448E-02 ppm1      4.174 ppm2      1.303 CV     1
 ASSI {  788}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.35008E-02 ppm1      1.699 ppm2      8.990 CV     1
 ASSI {  790}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      2.648 ppm2      8.990 CV     1
 OR {  790}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  791}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.600     0.600 peak   791 spectrum    1 weight  0.10000E+01 volume  0.26294E-01 ppm1      4.176 ppm2      8.990 CV     1
 ASSI {  792}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.700     4.000     0.300 peak   792 spectrum    1 weight  0.10000E+01 volume  0.55779E-03 ppm1      8.849 ppm2      8.990 CV     1
 ASSI {  794}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.31579E-02 ppm1      2.135 ppm2      6.689 CV     1
 ASSI {  795}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      5.800     4.200     0.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.54507E-03 ppm1      2.271 ppm2      6.689 CV     1
 ASSI {  796}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.10444E-01 ppm1      4.112 ppm2      6.689 CV     1
 ASSI {  797}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.67712E-02 ppm1      6.703 ppm2      8.990 CV     1
 ASSI {  798}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.20014E-01 ppm1      2.706 ppm2      6.918 CV     1
 ASSI {  799}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
      2.400     0.700     0.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.18835E-01 ppm1      2.461 ppm2      6.918 CV     1
 ASSI {  802}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.100     1.100 peak   802 spectrum    1 weight  0.10000E+01 volume  0.68640E-02 ppm1      1.832 ppm2      6.918 CV     1
 OR {  802}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
 ASSI {  810}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HZ2 ))
      2.400     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.19636E-01 ppm1      6.519 ppm2      7.106 CV     1
 ASSI {  811}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      2.400     0.700     0.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.19313E-01 ppm1      6.519 ppm2      6.642 CV     1
 ASSI {  813}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 48   and name HZ2 ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11228E-01 ppm1      6.656 ppm2      7.106 CV     1
 ASSI {  816}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.54059E-02 ppm1      3.513 ppm2      9.198 CV     1
 ASSI {  817}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.200     1.200 peak   817 spectrum    1 weight  0.10000E+01 volume  0.74934E-02 ppm1      3.335 ppm2      9.198 CV     1
 ASSI {  818}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.19952E-01 ppm1      5.732 ppm2      9.197 CV     1
 ASSI {  819}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.300     3.500     0.700 peak   819 spectrum    1 weight  0.10000E+01 volume  0.67024E-03 ppm1      7.593 ppm2      9.197 CV     1
 ASSI {  825}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      2.200     0.600     0.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.27064E-01 ppm1      2.422 ppm2      7.105 CV     1
 ASSI {  829}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      5.700     4.100     0.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.28894E-03 ppm1      5.732 ppm2      6.878 CV     1
 ASSI {  830}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22109E-01 ppm1      5.538 ppm2      8.678 CV     1
 ASSI {  831}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.63344E-02 ppm1      2.980 ppm2      8.678 CV     1
 ASSI {  835}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.300     1.300     1.300 peak   835 spectrum    1 weight  0.10000E+01 volume  0.40545E-02 ppm1      2.798 ppm2      7.629 CV     1
 ASSI {  836}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      4.000     2.000     2.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.22937E-02 ppm1      3.326 ppm2      7.629 CV     1
 ASSI {  844}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      3.400     1.500     1.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.25073E-02 ppm1      3.890 ppm2      0.774 CV     1
 ASSI {  845}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      4.100     2.100     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.69019E-02 ppm1      3.890 ppm2      0.631 CV     1
 ASSI {  847}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.51205E-02 ppm1      2.089 ppm2      9.198 CV     1
 ASSI {  848}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.13529E-01 ppm1      1.458 ppm2      9.198 CV     1
 ASSI {  849}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.22697E-01 ppm1      1.293 ppm2      9.198 CV     1
 ASSI {  850}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.24437E-01 ppm1      0.790 ppm2      9.198 CV     1
 ASSI {  851}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.60456E-02 ppm1      0.646 ppm2      9.198 CV     1
 ASSI {  855}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.22102E-02 ppm1      2.089 ppm2      7.134 CV     1
 ASSI {  860}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10716E-01 ppm1      1.458 ppm2      7.134 CV     1
 ASSI {  861}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.50896E-02 ppm1      1.293 ppm2      7.134 CV     1
 ASSI {  865}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.15269E-01 ppm1      7.145 ppm2      9.199 CV     1
 ASSI {  866}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.46116E-02 ppm1      3.125 ppm2      7.173 CV     1
 ASSI {  868}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.64204E-02 ppm1      3.464 ppm2      7.174 CV     1
 ASSI {  869}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      5.200     3.300     0.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.79920E-03 ppm1      3.466 ppm2      7.402 CV     1
 ASSI {  874}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
      2.000     0.500     0.500 peak   874 spectrum    1 weight  0.10000E+01 volume  0.39272E-01 ppm1      1.737 ppm2      0.834 CV     1
 ASSI {  877}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 36   and name HD2%)
      2.100     0.600     0.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.35180E-01 ppm1      0.847 ppm2      0.544 CV     1
 ASSI {  878}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      2.400     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.12016E-01 ppm1      1.472 ppm2      0.834 CV     1
 OR {  878}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  879}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      3.100     1.200     1.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.23845E-01 ppm1      4.186 ppm2      0.544 CV     1
 ASSI {  880}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.600     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.36074E-02 ppm1      4.186 ppm2      0.833 CV     1
 ASSI {  881}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.12552E-01 ppm1      0.849 ppm2      6.501 CV     1
 ASSI {  882}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak   882 spectrum    1 weight  0.10000E+01 volume  0.18701E-01 ppm1      0.560 ppm2      6.501 CV     1
 ASSI {  884}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.19691E-02 ppm1      2.878 ppm2      6.500 CV     1
 ASSI {  885}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.70979E-03 ppm1      4.443 ppm2      6.499 CV     1
 ASSI {  887}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.81467E-02 ppm1      0.566 ppm2      8.347 CV     1
 ASSI {  888}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.20774E-02 ppm1      0.847 ppm2      8.347 CV     1
 ASSI {  889}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.100     0.600     0.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      1.472 ppm2      8.347 CV     1
 OR {  889}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  892}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.18873E-02 ppm1      6.517 ppm2      8.347 CV     1
 ASSI {  895}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HD21))
      5.000     3.100     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.45669E-03 ppm1      4.995 ppm2      7.600 CV     1
 ASSI {  900}
   (( segid "    " and resid 37   and name HD22))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.49864E-03 ppm1      6.908 ppm2      8.349 CV     1
 ASSI {  914}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      3.800     1.800     1.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.34389E-02 ppm1      5.000 ppm2      3.682 CV     1
 ASSI {  915}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak   915 spectrum    1 weight  0.10000E+01 volume  0.17019E-01 ppm1      3.515 ppm2      2.444 CV     1
 ASSI {  923}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.18016E-01 ppm1      5.098 ppm2      2.441 CV     1
 ASSI {  924}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.400     2.400     1.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.18508E-02 ppm1      5.099 ppm2      2.122 CV     1
 ASSI {  925}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.900     1.100     1.100 peak   925 spectrum    1 weight  0.10000E+01 volume  0.10678E-01 ppm1      5.099 ppm2      2.068 CV     1
 ASSI {  926}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      4.800     2.900     1.200 peak   926 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1      5.099 ppm2      2.013 CV     1
 ASSI {  940}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      3.600     1.600     1.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.88276E-02 ppm1      1.540 ppm2      0.696 CV     1
 ASSI {  941}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
      2.600     0.800     0.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.99797E-02 ppm1      1.457 ppm2      0.696 CV     1
 ASSI {  942}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
      2.200     0.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.38378E-01 ppm1      0.928 ppm2      0.696 CV     1
 ASSI {  960}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HG2 ))
      3.000     1.100     1.100 peak   960 spectrum    1 weight  0.10000E+01 volume  0.67437E-02 ppm1      3.211 ppm2      1.907 CV     1
 ASSI {  964}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.47835E-03 ppm1      3.341 ppm2      8.002 CV     1
 ASSI {  965}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 53   and name HN  ))
      4.600     2.600     1.400 peak   965 spectrum    1 weight  0.10000E+01 volume  0.20162E-03 ppm1      3.210 ppm2      8.001 CV     1
 ASSI {  966}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak   966 spectrum    1 weight  0.10000E+01 volume  0.83015E-02 ppm1      1.937 ppm2      8.003 CV     1
 ASSI {  969}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.200     0.600     0.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.18907E-01 ppm1      8.017 ppm2      8.354 CV     1
 ASSI {  972}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak   972 spectrum    1 weight  0.10000E+01 volume  0.47388E-02 ppm1      2.631 ppm2      7.659 CV     1
 ASSI {  973}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.400     2.400     1.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1      2.833 ppm2      7.659 CV     1
 ASSI {  974}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.16104E-01 ppm1      7.677 ppm2      8.001 CV     1
 ASSI {  975}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 54   and name HG2%)
      2.500     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.17576E-01 ppm1      4.053 ppm2      1.001 CV     1
 ASSI {  979}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      3.600     1.700     1.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.37346E-02 ppm1      1.391 ppm2      8.071 CV     1
 ASSI {  992}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
      5.000     3.200     1.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.39341E-03 ppm1      4.048 ppm2      8.443 CV     1
 ASSI {  998}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak   998 spectrum    1 weight  0.10000E+01 volume  0.57636E-02 ppm1      3.957 ppm2      7.820 CV     1
 OR {  998}
   (( segid "    " and resid 60   and name HA2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1009}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.10258E-02 ppm1      1.621 ppm2      8.264 CV     1
 ASSI { 1017}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.900     3.000     1.100 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.58152E-03 ppm1      3.847 ppm2      8.404 CV     1
 ASSI { 1018}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     5.800     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.81571E-04 ppm1      3.777 ppm2      8.404 CV     1
 ASSI { 1033}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HD2 ))
      2.500     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.19684E-01 ppm1      4.019 ppm2      3.578 CV     1
 OR { 1033}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HD3 ))
 OR { 1033}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HD2 ))
 OR { 1033}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HD3 ))
 ASSI { 1044}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.200     1.300     1.300 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.88861E-02 ppm1      4.723 ppm2      3.283 CV     1
 ASSI { 1051}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.34066E-02 ppm1      4.721 ppm2      7.503 CV     1
 ASSI { 1052}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.63585E-02 ppm1      3.299 ppm2      7.503 CV     1
 ASSI { 1056}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.16648E-01 ppm1      4.721 ppm2      8.832 CV     1
 ASSI { 1063}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.63344E-02 ppm1      4.175 ppm2      8.601 CV     1
 ASSI { 1068}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.89446E-02 ppm1      8.163 ppm2      8.605 CV     1
 ASSI { 1069}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.41576E-02 ppm1      2.462 ppm2      8.277 CV     1
 ASSI { 1070}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.700     2.800     1.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.18085E-02 ppm1      2.710 ppm2      8.277 CV     1
 ASSI { 1071}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.16180E-01 ppm1      4.466 ppm2      8.277 CV     1
 ASSI { 1072}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.88930E-03 ppm1      6.702 ppm2      8.276 CV     1
 ASSI { 1073}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 9    and name HN  ))
      5.400     3.700     0.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.41129E-03 ppm1      7.517 ppm2      8.831 CV     1
 ASSI { 1084}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.200     0.600     0.600 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.29815E-01 ppm1      4.438 ppm2      7.528 CV     1
 ASSI { 1085}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 40   and name HN  ))
      5.900     4.300     0.100 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.28842E-03 ppm1      3.795 ppm2      7.528 CV     1
 ASSI { 1086}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.700     0.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13425E-03 ppm1      3.696 ppm2      7.528 CV     1
 ASSI { 1090}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      4.100     2.100     1.900 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.48557E-02 ppm1      2.311 ppm2      7.530 CV     1
 ASSI { 1094}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.900     1.900     1.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.49039E-02 ppm1      3.805 ppm2      2.441 CV     1
 ASSI { 1095}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.76447E-02 ppm1      3.700 ppm2      2.441 CV     1
 ASSI { 1104}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     6.000     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.22748E-03 ppm1      4.996 ppm2      2.122 CV     1
 ASSI { 1106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     6.000     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.12253E-03 ppm1      4.996 ppm2      2.013 CV     1
 ASSI { 1118}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.14966E-01 ppm1      4.388 ppm2      8.233 CV     1
 ASSI { 1119}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.39169E-02 ppm1      3.749 ppm2      8.233 CV     1
 OR { 1119}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1120}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.82052E-03 ppm1      2.308 ppm2      8.233 CV     1
 ASSI { 1123}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 57   and name HN  ))
      3.600     1.700     1.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.28285E-02 ppm1      1.931 ppm2      8.233 CV     1
 ASSI { 1125}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.400     1.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.57533E-02 ppm1      4.182 ppm2      2.447 CV     1
 ASSI { 1130}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      5.000     3.100     1.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.56020E-03 ppm1      3.474 ppm2      8.355 CV     1
 ASSI { 1151}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HE% )
      4.500     2.500     1.500 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.27690E-02 ppm1      2.461 ppm2      7.283 CV     1
 ASSI { 1162}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HB2 ))
      4.900     2.900     1.100 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      3.594 ppm2      2.311 CV     1
 OR { 1162}
   (( segid "    " and resid 2    and name HD3 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1174}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD2%)
      2.400     0.700     0.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.17308E-01 ppm1      0.592 ppm2     -0.631 CV     1
 ASSI { 1175}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      3.300     1.300     1.300 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.35111E-02 ppm1      4.336 ppm2     -0.631 CV     1
 ASSI { 1176}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.100     2.100     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.28264E-02 ppm1     -0.612 ppm2      9.032 CV     1
 ASSI { 1177}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.16073E-02 ppm1     -0.612 ppm2      8.457 CV     1
 ASSI { 1181}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.38894E-02 ppm1     -0.129 ppm2      7.993 CV     1
 ASSI { 1183}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      2.300     0.700     0.700 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.20809E-01 ppm1      4.357 ppm2     -0.149 CV     1
 ASSI { 1187}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HE3 ))
      3.400     1.400     1.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.64032E-02 ppm1     -0.622 ppm2      7.287 CV     1
 ASSI { 1188}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      4.900     3.000     1.100 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.50827E-03 ppm1      0.382 ppm2      9.825 CV     1
 ASSI { 1189}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 48   and name HE1 ))
      4.600     2.600     1.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      0.567 ppm2      9.823 CV     1
 ASSI { 1190}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HE1 ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.11441E-01 ppm1      0.717 ppm2      9.823 CV     1
 ASSI { 1191}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.600     1.600     1.600 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.41095E-02 ppm1      0.848 ppm2      9.822 CV     1
 ASSI { 1192}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.500     1.500     1.500 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.26627E-02 ppm1      0.927 ppm2      9.823 CV     1
 ASSI { 1194}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 48   and name HE1 ))
      5.500     3.800     0.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.69775E-03 ppm1      1.760 ppm2      9.822 CV     1
 ASSI { 1195}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 48   and name HE1 ))
      4.300     2.300     1.700 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      1.833 ppm2      9.822 CV     1
 ASSI { 1202}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HE1 ))
      4.300     2.300     1.700 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.26400E-02 ppm1     -0.616 ppm2      9.823 CV     1
 ASSI { 1203}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.700     2.800     1.300 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.14791E-02 ppm1     -0.615 ppm2      9.198 CV     1
 ASSI { 1204}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.400     1.400 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.38791E-02 ppm1     -0.135 ppm2      9.199 CV     1
 ASSI { 1205}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.68468E-02 ppm1     -0.136 ppm2      9.032 CV     1
 ASSI { 1207}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
      4.800     2.800     1.200 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.85044E-03 ppm1     -0.138 ppm2      8.776 CV     1
 ASSI { 1208}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.43158E-02 ppm1     -0.138 ppm2      8.675 CV     1
 ASSI { 1209}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      3.800     1.800     1.800 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.24640E-02 ppm1     -0.138 ppm2      8.640 CV     1
 ASSI { 1211}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.78923E-02 ppm1     -0.138 ppm2      8.274 CV     1
 ASSI { 1212}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.900     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.25004E-03 ppm1     -0.617 ppm2      8.675 CV     1
 ASSI { 1213}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      4.700     2.800     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.22002E-02 ppm1      0.411 ppm2      9.200 CV     1
 ASSI { 1214}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      5.800     4.200     0.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.54610E-03 ppm1      0.569 ppm2      9.196 CV     1
 ASSI { 1215}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.26191E-02 ppm1      0.910 ppm2      9.197 CV     1
 ASSI { 1216}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      4.900     3.000     1.100 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.12170E-02 ppm1      1.069 ppm2      9.242 CV     1
 ASSI { 1217}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.53131E-02 ppm1      0.648 ppm2      8.674 CV     1
 ASSI { 1218}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.38997E-02 ppm1      0.426 ppm2      8.644 CV     1
 ASSI { 1220}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.36555E-02 ppm1      0.419 ppm2      8.275 CV     1
 ASSI { 1222}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      5.200     3.400     0.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.84219E-03 ppm1      0.832 ppm2      8.228 CV     1
 ASSI { 1225}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 32   and name HE1 ))
      2.900     1.000     1.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.11300E-01 ppm1     -0.135 ppm2      7.462 CV     1
 ASSI { 1227}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      5.100     3.200     0.900 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.39547E-03 ppm1     -0.138 ppm2      6.687 CV     1
 ASSI { 1229}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HE3 ))
      3.100     1.200     1.200 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.66027E-02 ppm1      0.388 ppm2      7.284 CV     1
 ASSI { 1230}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 32   and name HE1 ))
      5.500     3.800     0.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.58461E-03 ppm1      0.424 ppm2      7.460 CV     1
 ASSI { 1232}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.100     0.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.29815E-03 ppm1      0.421 ppm2      7.577 CV     1
 ASSI { 1234}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      4.600     2.600     1.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.81433E-03 ppm1      0.882 ppm2      7.664 CV     1
 ASSI { 1236}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.800     2.900     1.200 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.79163E-03 ppm1      0.643 ppm2      7.532 CV     1
 ASSI { 1239}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.500     1.500 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      0.839 ppm2      7.404 CV     1
 ASSI { 1241}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      5.800     4.200     0.200 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.36177E-03 ppm1      1.132 ppm2      7.397 CV     1
 ASSI { 1242}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.900     3.000     1.100 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.44259E-03 ppm1      1.184 ppm2      7.660 CV     1
 ASSI { 1243}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 32   and name HE1 ))
      4.300     2.300     1.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.91647E-03 ppm1      1.253 ppm2      7.460 CV     1
 ASSI { 1244}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      4.800     2.900     1.200 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      1.310 ppm2      7.402 CV     1
 ASSI { 1245}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 11   and name HE% )
      4.000     2.000     2.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.22229E-02 ppm1      1.217 ppm2      7.280 CV     1
 ASSI { 1246}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 11   and name HE% )
      4.100     2.100     1.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.89377E-03 ppm1      1.315 ppm2      7.282 CV     1
 ASSI { 1247}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      3.900     1.900     1.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      1.137 ppm2      7.108 CV     1
 ASSI { 1248}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HZ2 ))
      2.400     0.700     0.700 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.25448E-01 ppm1      0.842 ppm2      7.106 CV     1
 ASSI { 1249}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 48   and name HZ2 ))
      2.100     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.38722E-01 ppm1      0.563 ppm2      7.106 CV     1
 ASSI { 1254}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.55022E-02 ppm1      0.648 ppm2      6.982 CV     1
 ASSI { 1255}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 42   and name HN  ))
      4.600     2.700     1.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.18484E-03 ppm1      0.713 ppm2      6.982 CV     1
 ASSI { 1260}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 11   and name HD% )
      4.100     2.100     1.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.95773E-03 ppm1      1.321 ppm2      6.917 CV     1
 ASSI { 1262}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 48   and name HE3 ))
      2.900     1.000     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.70154E-02 ppm1      0.600 ppm2      7.282 CV     1
 ASSI { 1263}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HD1 ))
      3.500     1.600     1.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.47113E-02 ppm1      0.711 ppm2      7.291 CV     1
 ASSI { 1265}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 48   and name HD1 ))
      4.100     2.100     1.900 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.20568E-02 ppm1      0.928 ppm2      7.289 CV     1
 ASSI { 1266}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.100     1.200     1.200 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.62416E-02 ppm1      0.593 ppm2      6.639 CV     1
 ASSI { 1267}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HZ3 ))
      5.600     3.900     0.400 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.71185E-03 ppm1      0.842 ppm2      6.641 CV     1
 ASSI { 1270}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      4.600     2.600     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      1.310 ppm2      6.504 CV     1
 ASSI { 1285}
   (( segid "    " and resid 51   and name HG3 ))
   (( segid "    " and resid 48   and name HH2 ))
      5.000     3.100     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.13797E-02 ppm1      1.933 ppm2      6.505 CV     1
 ASSI { 1286}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      5.200     3.400     0.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.83221E-03 ppm1      2.306 ppm2      6.498 CV     1
 ASSI { 1287}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 48   and name HH2 ))
      2.600     0.800     0.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.85732E-02 ppm1      2.430 ppm2      6.505 CV     1
 ASSI { 1289}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.200     1.300     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.43124E-02 ppm1      2.732 ppm2      6.639 CV     1
 ASSI { 1290}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.500     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.28787E-02 ppm1      2.641 ppm2      6.687 CV     1
 OR { 1290}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1291}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.000     1.100     1.100 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.64926E-02 ppm1      2.435 ppm2      6.641 CV     1
 ASSI { 1292}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.200     1.200 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.37037E-02 ppm1      1.868 ppm2      6.687 CV     1
 ASSI { 1294}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.75518E-02 ppm1      1.692 ppm2      6.689 CV     1
 ASSI { 1300}
   (( segid "    " and resid 13   and name HG3 ))
   (  segid "    " and resid 11   and name HE% )
      3.800     1.800     1.800 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.21287E-02 ppm1      1.616 ppm2      7.284 CV     1
 ASSI { 1301}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 11   and name HE% )
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.18966E-02 ppm1      1.694 ppm2      7.282 CV     1
 ASSI { 1302}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      3.900     1.900     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.26328E-02 ppm1      1.992 ppm2      7.284 CV     1
 ASSI { 1303}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 48   and name HD1 ))
      2.800     1.000     1.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.15221E-01 ppm1      1.822 ppm2      7.288 CV     1
 ASSI { 1305}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 31   and name HD% )
      3.900     1.900     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.32219E-02 ppm1      1.744 ppm2      7.105 CV     1
 ASSI { 1309}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
      4.100     2.100     1.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      2.326 ppm2      7.295 CV     1
 ASSI { 1313}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.800     1.800     1.800 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.12803E-02 ppm1      2.795 ppm2      7.172 CV     1
 ASSI { 1316}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.400     2.400     1.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.26187E-03 ppm1      1.928 ppm2      7.020 CV     1
 ASSI { 1317}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.100     2.100     1.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.41198E-03 ppm1      2.221 ppm2      7.020 CV     1
 ASSI { 1324}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 31   and name HE% )
      3.700     1.700     1.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.50345E-02 ppm1      1.714 ppm2      6.878 CV     1
 ASSI { 1326}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      4.100     2.100     1.900 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.20957E-02 ppm1      1.993 ppm2      6.917 CV     1
 ASSI { 1328}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.53200E-02 ppm1      1.737 ppm2      7.403 CV     1
 ASSI { 1330}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.700     2.800     1.300 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.19925E-02 ppm1      1.470 ppm2      7.403 CV     1
 OR { 1330}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1332}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      4.200     2.200     1.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.22783E-02 ppm1      2.025 ppm2      7.460 CV     1
 ASSI { 1333}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
      4.700     2.800     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.12181E-02 ppm1      2.092 ppm2      7.461 CV     1
 ASSI { 1336}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      5.200     3.400     0.800 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.11527E-02 ppm1      2.301 ppm2      7.403 CV     1
 ASSI { 1340}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.800     2.900     1.200 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.13288E-02 ppm1      1.876 ppm2      7.583 CV     1
 ASSI { 1343}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      5.200     3.400     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.87073E-03 ppm1      1.933 ppm2      7.663 CV     1
 ASSI { 1349}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE  ))
      2.800     1.000     1.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.18756E-01 ppm1      1.709 ppm2      8.640 CV     1
 ASSI { 1350}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HE  ))
      2.500     0.800     0.800 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.11032E-01 ppm1      1.379 ppm2      8.641 CV     1
 ASSI { 1354}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.49486E-03 ppm1      1.992 ppm2      7.578 CV     1
 ASSI { 1357}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.29898E-02 ppm1      2.722 ppm2      9.337 CV     1
 ASSI { 1358}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.500     1.500 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.37003E-02 ppm1      2.626 ppm2      9.094 CV     1
 ASSI { 1359}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.62106E-02 ppm1      2.737 ppm2      9.104 CV     1
 ASSI { 1361}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      4.800     2.800     1.200 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.67093E-03 ppm1      2.425 ppm2      9.035 CV     1
 ASSI { 1362}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.000     2.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.31583E-02 ppm1      2.420 ppm2      8.679 CV     1
 ASSI { 1366}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.67746E-02 ppm1      2.811 ppm2      9.102 CV     1
 ASSI { 1369}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.300     1.700 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.16961E-02 ppm1      3.279 ppm2      9.337 CV     1
 ASSI { 1370}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HE1 ))
      5.000     3.100     1.000 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.55916E-03 ppm1      3.471 ppm2      9.824 CV     1
 ASSI { 1372}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.17329E-02 ppm1      3.874 ppm2      9.678 CV     1
 ASSI { 1373}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.400     2.500     1.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.15781E-02 ppm1      3.871 ppm2      9.092 CV     1
 ASSI { 1374}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      5.500     3.800     0.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.60009E-03 ppm1      4.023 ppm2      9.094 CV     1
 ASSI { 1375}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.000     2.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.46597E-02 ppm1      2.874 ppm2      8.679 CV     1
 ASSI { 1380}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      5.200     3.400     0.800 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.47113E-03 ppm1      3.214 ppm2      9.239 CV     1
 ASSI { 1382}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      5.400     3.700     0.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.42780E-03 ppm1      2.875 ppm2      8.072 CV     1
 ASSI { 1386}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.800     0.500 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.40579E-03 ppm1      3.902 ppm2      8.070 CV     1
 ASSI { 1387}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 55   and name HN  ))
      4.000     2.000     2.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.27793E-02 ppm1      3.748 ppm2      7.689 CV     1
 OR { 1387}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1392}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      5.300     3.500     0.700 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.53578E-03 ppm1      3.887 ppm2      7.388 CV     1
 ASSI { 1393}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 11   and name HE% )
      2.900     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.84769E-02 ppm1      3.912 ppm2      7.281 CV     1
 ASSI { 1394}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 11   and name HE% )
      4.000     2.000     2.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.29320E-02 ppm1      4.181 ppm2      7.283 CV     1
 ASSI { 1396}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.43261E-02 ppm1      4.189 ppm2      7.661 CV     1
 ASSI { 1397}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 48   and name HD1 ))
      6.000     4.700     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.52271E-03 ppm1      3.672 ppm2      7.290 CV     1
 ASSI { 1398}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     5.200     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.21803E-03 ppm1      3.680 ppm2      7.459 CV     1
 ASSI { 1400}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.29764E-02 ppm1      4.181 ppm2      8.070 CV     1
 ASSI { 1401}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.29819E-02 ppm1      4.181 ppm2      8.276 CV     1
 ASSI { 1409}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HH2 ))
      2.900     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.76687E-02 ppm1      3.476 ppm2      6.505 CV     1
 ASSI { 1410}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.700     1.700     1.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.25689E-02 ppm1      3.473 ppm2      6.639 CV     1
 ASSI { 1414}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      5.500     3.800     0.500 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.23010E-03 ppm1      3.519 ppm2      6.687 CV     1
 ASSI { 1415}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      4.100     2.100     1.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.28405E-02 ppm1      3.876 ppm2      6.639 CV     1
 ASSI { 1417}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.30991E-02 ppm1      4.174 ppm2      6.687 CV     1
 ASSI { 1418}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      2.300     0.700     0.700 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.22129E-01 ppm1      4.176 ppm2      6.919 CV     1
 ASSI { 1419}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.38860E-03 ppm1      4.186 ppm2      6.878 CV     1
 ASSI { 1420}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      2.600     0.800     0.800 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.12968E-01 ppm1      3.861 ppm2      6.880 CV     1
 ASSI { 1421}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      5.000     3.200     1.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.55779E-03 ppm1      4.013 ppm2      6.876 CV     1
 ASSI { 1424}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      5.000     3.100     1.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.88242E-03 ppm1      3.332 ppm2      6.915 CV     1
 ASSI { 1428}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 48   and name HZ2 ))
      4.000     2.000     2.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.27876E-02 ppm1      4.186 ppm2      7.105 CV     1
 ASSI { 1429}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      4.500     2.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.11565E-02 ppm1      3.320 ppm2      7.176 CV     1
 ASSI { 1438}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.100     1.200     1.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.74487E-02 ppm1      4.683 ppm2      6.639 CV     1
 ASSI { 1439}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HH2 ))
      5.600     3.900     0.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.49211E-03 ppm1      4.683 ppm2      6.504 CV     1
 ASSI { 1440}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HE3 ))
      2.300     0.700     0.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.25252E-01 ppm1      4.683 ppm2      7.280 CV     1
 ASSI { 1441}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      2.900     1.100     1.100 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.78785E-02 ppm1      4.327 ppm2      6.877 CV     1
 ASSI { 1442}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      6.000     4.900     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.22831E-03 ppm1      4.333 ppm2      6.639 CV     1
 ASSI { 1443}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      5.100     3.200     0.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12002E-02 ppm1      4.429 ppm2      6.880 CV     1
 ASSI { 1444}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      3.900     1.900     1.900 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.19526E-02 ppm1      4.332 ppm2      7.107 CV     1
 ASSI { 1446}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 48   and name HE3 ))
      5.400     3.700     0.600 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.56295E-03 ppm1      4.346 ppm2      7.284 CV     1
 ASSI { 1447}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.900     1.900     1.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.48660E-03 ppm1      5.306 ppm2      6.917 CV     1
 ASSI { 1452}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      5.000     3.100     1.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.83806E-03 ppm1      4.437 ppm2      7.109 CV     1
 ASSI { 1456}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      5.000     3.100     1.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.44637E-03 ppm1      5.301 ppm2      8.272 CV     1
 ASSI { 1457}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.800     1.300 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.16613E-03 ppm1      5.301 ppm2      8.146 CV     1
 ASSI { 1460}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.50964E-02 ppm1      4.353 ppm2      9.198 CV     1
 ASSI { 1462}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.29664E-03 ppm1      4.696 ppm2      9.335 CV     1
 ASSI { 1463}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.95326E-03 ppm1      5.540 ppm2      8.837 CV     1
 ASSI { 1466}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.600     1.400 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.59493E-03 ppm1      4.438 ppm2      8.829 CV     1
 ASSI { 1467}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.400     2.400     1.600 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1      4.356 ppm2      8.829 CV     1
 ASSI { 1468}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      4.683 ppm2      9.094 CV     1
 ASSI { 1470}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.700     2.800     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.75931E-03 ppm1      5.041 ppm2      9.337 CV     1
 ASSI { 1471}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      5.900     4.300     0.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.33244E-03 ppm1      5.039 ppm2      9.672 CV     1
 ASSI { 1472}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HE1 ))
      5.700     4.000     0.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.61900E-03 ppm1      6.523 ppm2      9.824 CV     1
 ASSI { 1473}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HE1 ))
      5.200     3.400     0.800 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.40888E-03 ppm1      6.891 ppm2      9.822 CV     1
 ASSI { 1474}
   (( segid "    " and resid 48   and name HZ2 ))
   (( segid "    " and resid 48   and name HE1 ))
      2.700     0.900     0.900 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.13147E-01 ppm1      7.125 ppm2      9.823 CV     1
 ASSI { 1477}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     2.700     1.400 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      6.521 ppm2      9.196 CV     1
 ASSI { 1479}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.600     0.600 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.74487E-03 ppm1      6.654 ppm2      9.244 CV     1
 ASSI { 1483}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 48   and name HN  ))
      5.200     3.400     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.10107E-02 ppm1      6.657 ppm2      9.094 CV     1
 ASSI { 1484}
   (( segid "    " and resid 48   and name HZ2 ))
   (( segid "    " and resid 50   and name HN  ))
      5.400     3.700     0.600 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.54369E-03 ppm1      7.125 ppm2      9.090 CV     1
 ASSI { 1487}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      7.118 ppm2      8.838 CV     1
 ASSI { 1488}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.33908E-02 ppm1      6.657 ppm2      8.598 CV     1
 ASSI { 1491}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.35283E-02 ppm1      5.735 ppm2      8.596 CV     1
 ASSI { 1492}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      5.100     3.200     0.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.57842E-03 ppm1      5.725 ppm2      9.029 CV     1
 ASSI { 1496}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      4.300     2.300     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.16916E-02 ppm1      6.931 ppm2      8.597 CV     1
 ASSI { 1497}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
      4.900     3.000     1.100 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.39444E-03 ppm1      7.127 ppm2      8.596 CV     1
 ASSI { 1498}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 13   and name HE  ))
      5.100     3.200     0.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.58427E-03 ppm1      7.119 ppm2      8.640 CV     1
 ASSI { 1499}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
      4.200     2.200     1.800 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.26734E-02 ppm1      7.128 ppm2      8.677 CV     1
 ASSI { 1500}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.47698E-02 ppm1      7.297 ppm2      9.239 CV     1
 ASSI { 1501}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.83324E-03 ppm1      7.299 ppm2      9.096 CV     1
 ASSI { 1502}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.400     1.600 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.83703E-03 ppm1      7.517 ppm2      9.335 CV     1
 ASSI { 1505}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.500     1.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      7.478 ppm2      8.776 CV     1
 ASSI { 1507}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.15351E-02 ppm1      7.296 ppm2      8.594 CV     1
 ASSI { 1508}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      5.300     3.500     0.700 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.38241E-03 ppm1      8.247 ppm2      9.335 CV     1
 ASSI { 1510}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 29   and name HN  ))
      5.900     4.400     0.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.47835E-03 ppm1      8.611 ppm2      9.335 CV     1
 ASSI { 1511}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.23914E-01 ppm1      8.244 ppm2      9.675 CV     1
 ASSI { 1512}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.900     1.900 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.19980E-02 ppm1      8.173 ppm2      8.838 CV     1
 ASSI { 1513}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.21782E-02 ppm1      7.680 ppm2      8.354 CV     1
 ASSI { 1515}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18137E-02 ppm1      7.401 ppm2      8.274 CV     1
 ASSI { 1519}
   (( segid "    " and resid 48   and name HZ2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.42780E-03 ppm1      7.120 ppm2      8.349 CV     1
 ASSI { 1522}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.800     1.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.20788E-02 ppm1      7.422 ppm2      8.680 CV     1
 ASSI { 1523}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.10702E-03 ppm1      7.478 ppm2      9.029 CV     1
 ASSI { 1526}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.300     3.500     0.700 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.41095E-03 ppm1      7.842 ppm2      8.407 CV     1
 ASSI { 1534}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      6.935 ppm2      8.277 CV     1
 ASSI { 1542}
   (( segid "    " and resid 43   and name HG13))
   (  segid "    " and resid 22   and name HD2%)
      5.300     3.500     0.700 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.78820E-03 ppm1      1.086 ppm2     -0.634 CV     1
 ASSI { 1543}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 22   and name HD2%)
      4.800     2.900     1.200 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.88105E-03 ppm1      1.463 ppm2     -0.632 CV     1
 ASSI { 1545}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      5.700     4.100     0.300 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.52890E-03 ppm1      0.794 ppm2     -0.152 CV     1
 ASSI { 1546}
   (  segid "    " and resid 40   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      4.400     2.400     1.600 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.20716E-02 ppm1      0.712 ppm2      0.371 CV     1
 ASSI { 1547}
   (( segid "    " and resid 43   and name HG13))
   (  segid "    " and resid 22   and name HD1%)
      5.200     3.400     0.800 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      1.084 ppm2      0.369 CV     1
 ASSI { 1548}
   (( segid "    " and resid 43   and name HG13))
   (  segid "    " and resid 33   and name HD1%)
      4.000     2.000     2.000 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.25664E-02 ppm1      1.081 ppm2      0.626 CV     1
 ASSI { 1549}
   (  segid "    " and resid 14   and name HG1%)
   (  segid "    " and resid 36   and name HD2%)
      4.900     3.000     1.100 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      1.310 ppm2      0.543 CV     1
 ASSI { 1550}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
      4.900     3.000     1.100 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.11685E-02 ppm1      1.587 ppm2      0.371 CV     1
 ASSI { 1551}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 33   and name HD1%)
      3.800     1.800     1.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.51446E-02 ppm1      1.585 ppm2      0.630 CV     1
 ASSI { 1553}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD2%)
      4.200     2.200     1.800 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.50964E-02 ppm1      1.848 ppm2     -0.633 CV     1
 ASSI { 1554}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      3.900     1.900     1.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1      1.767 ppm2     -0.635 CV     1
 ASSI { 1555}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
      5.100     3.200     0.900 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.34203E-03 ppm1      1.971 ppm2     -0.635 CV     1
 ASSI { 1556}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     5.000     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.37484E-03 ppm1      2.092 ppm2     -0.636 CV     1
 ASSI { 1559}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      5.000     3.200     1.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      2.969 ppm2     -0.635 CV     1
 ASSI { 1560}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      5.600     4.000     0.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.33687E-03 ppm1      2.977 ppm2     -0.151 CV     1
 ASSI { 1562}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      5.900     4.300     0.100 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.43468E-03 ppm1      2.452 ppm2     -0.150 CV     1
 ASSI { 1563}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.700     1.700     1.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.70841E-02 ppm1      1.848 ppm2      0.370 CV     1
 ASSI { 1564}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      4.100     2.100     1.900 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.23240E-02 ppm1      1.839 ppm2      0.403 CV     1
 OR { 1564}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI { 1565}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      5.000     3.100     1.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.90546E-03 ppm1      1.971 ppm2      0.372 CV     1
 ASSI { 1567}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 21   and name HD1%)
      4.100     2.100     1.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.28068E-02 ppm1      2.140 ppm2      0.403 CV     1
 ASSI { 1569}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      5.600     3.900     0.400 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.80814E-03 ppm1      2.468 ppm2      0.406 CV     1
 ASSI { 1570}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      5.400     3.600     0.600 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.90168E-03 ppm1      2.709 ppm2      0.403 CV     1
 ASSI { 1572}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      2.700     0.900     0.900 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.49176E-02 ppm1      2.969 ppm2      0.543 CV     1
 ASSI { 1573}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      5.300     3.500     0.700 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.10069E-02 ppm1      2.972 ppm2      0.827 CV     1
 ASSI { 1574}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 14   and name HG2%)
      4.200     2.200     1.800 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.49692E-02 ppm1      3.007 ppm2      1.119 CV     1
 ASSI { 1576}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
      3.200     1.300     1.300 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.46150E-02 ppm1      2.807 ppm2      1.049 CV     1
 ASSI { 1580}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      3.600     1.600     1.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.15434E-02 ppm1      2.630 ppm2      1.169 CV     1
 ASSI { 1582}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
      5.600     3.900     0.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.55607E-03 ppm1      2.837 ppm2      0.996 CV     1
 ASSI { 1583}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
      4.600     2.700     1.400 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.11128E-02 ppm1      2.633 ppm2      0.998 CV     1
 ASSI { 1585}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      5.500     3.700     0.500 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.11737E-02 ppm1      2.421 ppm2      0.824 CV     1
 ASSI { 1586}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 49   and name HD1%)
      3.800     1.800     1.800 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.26297E-02 ppm1      2.630 ppm2      0.809 CV     1
 ASSI { 1587}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 49   and name HD2%)
      3.500     1.600     1.600 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.94570E-03 ppm1      2.635 ppm2      0.734 CV     1
 ASSI { 1589}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
      3.200     1.300     1.300 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.12301E-01 ppm1      2.809 ppm2      0.810 CV     1
 ASSI { 1590}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 49   and name HD1%)
      4.300     2.300     1.700 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.40992E-02 ppm1      2.742 ppm2      0.809 CV     1
 ASSI { 1591}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      4.500     2.500     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.19313E-02 ppm1      2.835 ppm2      0.875 CV     1
 ASSI { 1594}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.300     2.400     1.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.92300E-03 ppm1      2.412 ppm2      1.232 CV     1
 ASSI { 1595}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 36   and name HD1%)
      5.400     3.700     0.600 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.50036E-03 ppm1      2.089 ppm2      0.827 CV     1
 ASSI { 1598}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 36   and name HD2%)
      5.600     3.900     0.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.25001E-03 ppm1      1.845 ppm2      0.544 CV     1
 OR { 1598}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1599}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
      3.200     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.68640E-02 ppm1      2.417 ppm2      0.543 CV     1
 ASSI { 1606}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.17992E-02 ppm1      2.921 ppm2      0.922 CV     1
 OR { 1606}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1607}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
      3.900     1.900     1.900 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.35042E-02 ppm1      2.630 ppm2      0.873 CV     1
 ASSI { 1610}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      4.500     2.600     1.500 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.20771E-02 ppm1      3.342 ppm2      1.428 CV     1
 ASSI { 1613}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
      4.500     2.500     1.500 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.50174E-02 ppm1      3.510 ppm2      1.429 CV     1
 ASSI { 1614}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 21   and name HG  ))
      5.900     4.400     0.100 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.85938E-03 ppm1      3.514 ppm2      1.237 CV     1
 ASSI { 1618}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HG13))
      3.900     1.900     1.900 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.55229E-03 ppm1      3.412 ppm2      1.066 CV     1
 ASSI { 1619}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 43   and name HG2%)
      3.500     1.500     1.500 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.13140E-01 ppm1      3.410 ppm2      0.890 CV     1
 ASSI { 1620}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 33   and name HG2%)
      2.900     1.100     1.100 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.57636E-02 ppm1      3.414 ppm2      0.772 CV     1
 ASSI { 1623}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 22   and name HB3 ))
      4.000     2.000     2.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.64411E-02 ppm1      3.672 ppm2      0.773 CV     1
 ASSI { 1624}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 43   and name HG2%)
      3.400     1.500     1.500 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.96186E-02 ppm1      3.670 ppm2      0.893 CV     1
 ASSI { 1625}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.400     1.400     1.400 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.75793E-02 ppm1      3.514 ppm2      0.898 CV     1
 ASSI { 1630}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 40   and name HB3 ))
      5.100     3.300     0.900 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      3.793 ppm2      1.434 CV     1
 ASSI { 1645}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 49   and name HG  ))
      5.100     3.300     0.900 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.42883E-03 ppm1      2.822 ppm2      1.570 CV     1
 ASSI { 1650}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.300     2.400     1.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.84631E-03 ppm1      2.641 ppm2      1.977 CV     1
 OR { 1650}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 1655}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      4.500     2.500     1.500 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      2.808 ppm2      2.226 CV     1
 OR { 1655}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI { 1658}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
      3.000     1.100     1.100 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.16428E-01 ppm1      3.280 ppm2      2.284 CV     1
 ASSI { 1667}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.70807E-02 ppm1      3.753 ppm2      2.904 CV     1
 OR { 1667}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 1667}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 55   and name HB3 ))
 OR { 1667}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI { 1670}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.700     2.800     1.300 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      4.370 ppm2      2.785 CV     1
 ASSI { 1671}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      5.800     4.200     0.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.73386E-03 ppm1      4.363 ppm2      2.954 CV     1
 ASSI { 1672}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      5.500     3.800     0.500 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.93469E-03 ppm1      4.467 ppm2      2.769 CV     1
 OR { 1672}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1673}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.48729E-02 ppm1      4.174 ppm2      2.695 CV     1
 ASSI { 1675}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.80677E-03 ppm1      5.096 ppm2      2.910 CV     1
 ASSI { 1677}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.500     2.500     1.500 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.38619E-02 ppm1      4.184 ppm2      2.905 CV     1
 ASSI { 1680}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 17   and name HB3 ))
      4.600     2.600     1.400 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      3.903 ppm2      2.962 CV     1
 ASSI { 1681}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.500     3.700     0.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.45462E-03 ppm1      4.344 ppm2      3.285 CV     1
 ASSI { 1682}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      5.300     3.500     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.84322E-03 ppm1      4.365 ppm2      3.200 CV     1
 ASSI { 1683}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.600     2.700     1.400 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.20097E-02 ppm1      4.432 ppm2      2.629 CV     1
 OR { 1683}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 1684}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      4.200     2.200     1.800 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.30173E-02 ppm1      4.455 ppm2      3.321 CV     1
 ASSI { 1687}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      6.000     5.200     0.000 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.67918E-03 ppm1      4.007 ppm2      3.270 CV     1
 ASSI { 1692}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.48282E-02 ppm1      5.534 ppm2      3.866 CV     1
 ASSI { 1693}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.200     1.200 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.79542E-02 ppm1      4.719 ppm2      2.208 CV     1
 ASSI { 1694}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.100     1.200     1.200 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.51549E-02 ppm1      4.719 ppm2      1.915 CV     1
 ASSI { 1697}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      5.400     3.600     0.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.15499E-02 ppm1      5.041 ppm2      1.786 CV     1
 OR { 1697}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 1702}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      2.600     0.800     0.800 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.99006E-02 ppm1      3.890 ppm2     -0.152 CV     1
 ASSI { 1703}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.51480E-02 ppm1      3.671 ppm2      0.372 CV     1
 ASSI { 1705}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      4.200     2.200     1.800 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.26318E-02 ppm1      3.928 ppm2      0.372 CV     1
 ASSI { 1706}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.900     1.100     1.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.77306E-02 ppm1      4.109 ppm2      0.405 CV     1
 ASSI { 1708}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.500     0.800     0.800 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.21741E-01 ppm1      4.407 ppm2      0.631 CV     1
 ASSI { 1709}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.800     1.000     1.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.69603E-02 ppm1      4.465 ppm2      0.405 CV     1
 ASSI { 1710}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      4.200     2.200     1.800 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.36280E-02 ppm1      4.657 ppm2      0.810 CV     1
 ASSI { 1711}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      5.400     3.600     0.600 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.51171E-03 ppm1      4.657 ppm2      0.737 CV     1
 ASSI { 1712}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      5.400     3.600     0.600 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.55779E-03 ppm1      4.544 ppm2      0.739 CV     1
 ASSI { 1713}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      5.600     4.000     0.400 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.94019E-03 ppm1      4.434 ppm2      0.696 CV     1
 ASSI { 1717}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      3.600     1.700     1.700 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.38894E-02 ppm1      4.191 ppm2      1.000 CV     1
 ASSI { 1718}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      4.300     2.300     1.700 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      4.017 ppm2      0.810 CV     1
 ASSI { 1720}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      4.300     2.300     1.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.27501E-02 ppm1      4.017 ppm2      0.875 CV     1
 ASSI { 1724}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      4.300     2.300     1.700 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.28718E-03 ppm1      5.037 ppm2      1.045 CV     1
 ASSI { 1727}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      4.000     2.000     2.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.12146E-02 ppm1      5.537 ppm2     -0.152 CV     1
 ASSI { 1728}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      5.800     4.200     0.200 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.32480E-03 ppm1      5.736 ppm2     -0.152 CV     1
 ASSI { 1731}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HG  ))
      4.300     2.300     1.700 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.12831E-02 ppm1      4.537 ppm2      1.563 CV     1
 ASSI { 1732}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      4.800     2.800     1.200 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.54438E-03 ppm1      3.215 ppm2     -0.634 CV     1
 ASSI { 1733}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
      3.800     1.800     1.800 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.69844E-02 ppm1      3.413 ppm2     -0.634 CV     1
 ASSI { 1734}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 22   and name HD2%)
      2.700     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.60249E-02 ppm1      3.674 ppm2     -0.634 CV     1
 ASSI { 1735}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      3.800     1.800     1.800 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.53612E-02 ppm1      3.926 ppm2     -0.634 CV     1
 ASSI { 1736}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      2.400     0.700     0.700 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.11262E-01 ppm1      3.337 ppm2     -0.151 CV     1
 ASSI { 1737}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      3.300     1.400     1.400 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.39857E-02 ppm1      3.511 ppm2     -0.151 CV     1
 ASSI { 1738}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      3.000     1.100     1.100 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.86041E-02 ppm1      3.337 ppm2      0.407 CV     1
 ASSI { 1741}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      3.200     1.200     1.200 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.97527E-02 ppm1      3.516 ppm2      0.405 CV     1
 ASSI { 1742}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.400     2.400     1.600 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      3.882 ppm2      0.544 CV     1
 ASSI { 1745}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.49555E-02 ppm1      0.825 ppm2      9.674 CV     1
 ASSI { 1746}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      5.000     3.200     1.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.32405E-03 ppm1      0.752 ppm2      9.672 CV     1
 ASSI { 1748}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HZ2 ))
      3.900     1.900     1.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.41679E-02 ppm1     -0.616 ppm2      7.103 CV     1
 ASSI { 1750}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HZ3 ))
      4.600     2.700     1.400 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.13958E-02 ppm1     -0.616 ppm2      6.639 CV     1
 ASSI { 1751}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HH2 ))
      4.700     2.800     1.300 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1     -0.619 ppm2      6.506 CV     1
 ASSI { 1753}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HZ3 ))
      4.400     2.400     1.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.10076E-02 ppm1      0.395 ppm2      6.639 CV     1
 ASSI { 1760}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 32   and name HE1 ))
      4.500     2.500     1.500 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      4.550 ppm2      7.460 CV     1
 ASSI { 1763}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      1.972 ppm2      8.119 CV     1
 ASSI { 1765}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.500     1.500 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.12920E-02 ppm1      1.015 ppm2      8.000 CV     1
 ASSI { 1768}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.27050E-02 ppm1      3.888 ppm2      7.529 CV     1
 ASSI { 1769}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.900     3.000     1.100 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.80745E-03 ppm1      5.098 ppm2      8.346 CV     1
 ASSI { 1771}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      5.100     3.200     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.31978E-03 ppm1      5.734 ppm2      7.502 CV     1
 ASSI { 1772}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      5.600     3.900     0.400 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.31916E-03 ppm1      1.581 ppm2      9.239 CV     1
 ASSI { 1778}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      5.700     4.100     0.300 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.80023E-03 ppm1      4.439 ppm2      0.544 CV     1
 ASSI { 1780}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      4.200     2.200     1.800 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.19801E-02 ppm1      4.477 ppm2     -0.151 CV     1
 ASSI { 1781}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.78132E-02 ppm1      3.877 ppm2      8.225 CV     1
 ASSI { 1784}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.800     2.800     1.200 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.65477E-03 ppm1      8.018 ppm2      9.093 CV     1
 ASSI { 1786}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     6.000     0.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.34114E-03 ppm1      2.713 ppm2      8.149 CV     1
 ASSI { 1787}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.800     2.900     1.200 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.18371E-02 ppm1      3.289 ppm2      8.071 CV     1
 ASSI { 1793}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.400     3.700     0.600 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.24392E-03 ppm1      7.601 ppm2      8.830 CV     1
 ASSI { 1799}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      5.000     3.200     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.43846E-03 ppm1      5.735 ppm2      6.636 CV     1
 ASSI { 1800}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HZ2 ))
      4.100     2.100     1.900 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.25283E-02 ppm1      0.714 ppm2      7.103 CV     1
 ASSI { 1806}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.500     0.800     0.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.14354E-01 ppm1      3.885 ppm2      0.829 CV     1
 ASSI { 1807}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      4.400     2.500     1.600 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.24237E-03 ppm1      4.196 ppm2      0.916 CV     1
 ASSI { 1808}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 14   and name HG1%)
      3.500     1.600     1.600 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.13150E-01 ppm1      3.284 ppm2      1.298 CV     1
 ASSI { 1809}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
      5.600     3.900     0.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.64686E-03 ppm1      1.974 ppm2      0.697 CV     1
 ASSI { 1813}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
      3.400     1.400     1.400 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.76412E-02 ppm1      0.908 ppm2      0.373 CV     1
 ASSI { 1817}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.48592E-03 ppm1      7.404 ppm2      8.146 CV     1
 ASSI { 1820}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 8    and name HD2 ))
      5.600     4.000     0.400 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.55538E-03 ppm1      1.932 ppm2      7.504 CV     1
 ASSI { 1822}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.534 ppm2      3.317 CV     1
 ASSI { 1824}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 11   and name HD% )
      4.100     2.100     1.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.21005E-02 ppm1      1.207 ppm2      6.919 CV     1
 ASSI { 1825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.67196E-02 ppm1      9.045 ppm2      9.198 CV     1
 ASSI { 1830}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG  ))
      2.800     1.000     1.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.83428E-02 ppm1      1.840 ppm2      7.385 CV     1
 ASSI { 1833}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HE  ))
      5.100     3.200     0.900 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.30121E-03 ppm1      1.994 ppm2      8.640 CV     1
 ASSI { 1835}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.17222E-02 ppm1      3.354 ppm2      8.071 CV     1
 ASSI { 1836}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      5.100     3.200     0.900 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.45222E-03 ppm1      2.913 ppm2      8.071 CV     1
 OR { 1836}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1841}
   (( segid "    " and resid 13   and name HD3 ))
   (  segid "    " and resid 31   and name HE% )
      4.700     2.800     1.300 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.53681E-03 ppm1      3.153 ppm2      6.879 CV     1
 ASSI { 1844}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.47388E-02 ppm1      2.793 ppm2      7.405 CV     1
 ASSI { 1847}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.355 CV     1
 ASSI { 1848}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 13   and name HE  ))
      4.700     2.800     1.300 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.57911E-03 ppm1      7.597 ppm2      8.637 CV     1
 ASSI { 1849}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.600     1.600 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.36727E-02 ppm1      7.309 ppm2      6.870 CV     1
 ASSI { 1855}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      4.200     2.200     1.800 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.79886E-03 ppm1      1.375 ppm2      6.877 CV     1
 ASSI { 1856}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.882 ppm2      8.683 CV     1
 ASSI { 1857}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.937 ppm2      8.681 CV     1
 ASSI { 1858}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.089 ppm2      3.684 CV     1
 ASSI { 1859}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.089 ppm2      3.791 CV     1
 ASSI { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.391 ppm2      9.033 CV     1
 ASSI { 1862}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      4.800     2.800     1.200 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.34014E-03 ppm1      0.758 ppm2      9.238 CV     1
 ASSI { 1863}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      5.000     3.200     1.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.17521E-02 ppm1      0.826 ppm2      9.238 CV     1
 ASSI { 1864}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.61075E-02 ppm1      1.249 ppm2      9.032 CV     1
 ASSI { 1867}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.839 ppm2      9.094 CV     1
 ASSI { 1870}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.878 ppm2      8.596 CV     1
 ASSI { 1871}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.739 ppm2      9.241 CV     1
 ASSI { 1872}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.816 ppm2      9.242 CV     1
 ASSI { 1873}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.796 ppm2      9.202 CV     1
 ASSI { 1874}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.950 CV     1
 ASSI { 1875}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.908 CV     1
 ASSI { 1876}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      2.070 CV     1
 ASSI { 1877}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.336 ppm2      9.337 CV     1
 ASSI { 1879}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.879 ppm2      9.238 CV     1
 ASSI { 1880}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.700     0.600 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.40201E-03 ppm1      4.359 ppm2      9.239 CV     1
 ASSI { 1881}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      8.390 CV     1
 ASSI { 1882}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 31   and name HN  ))
      4.500     2.600     1.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.63482E-03 ppm1      6.658 ppm2      9.195 CV     1
 ASSI { 1883}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.77994E-03 ppm1      6.936 ppm2      8.986 CV     1
 ASSI { 1885}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.400     3.600     0.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.58392E-03 ppm1      7.424 ppm2      9.202 CV     1
 ASSI { 1886}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.690 ppm2      9.199 CV     1
 ASSI { 1887}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.48626E-02 ppm1      7.406 ppm2      8.602 CV     1
 ASSI { 1888}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.993 ppm2      8.601 CV     1
 ASSI { 1889}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.095 ppm2      8.601 CV     1
 ASSI { 1891}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.305 ppm2      8.600 CV     1
 ASSI { 1892}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.505 ppm2      8.589 CV     1
 ASSI { 1894}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.908 ppm2      8.589 CV     1
 ASSI { 1895}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      8.641 CV     1
 ASSI { 1896}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.487 ppm2      8.539 CV     1
 ASSI { 1897}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.917 ppm2      8.829 CV     1
 ASSI { 1898}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.290 ppm2      8.830 CV     1
 ASSI { 1899}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      8.842 CV     1
 ASSI { 1900}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD2 ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.919 ppm2      7.504 CV     1
 ASSI { 1901}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.294 ppm2      2.903 CV     1
 ASSI { 1903}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.066 ppm2      8.677 CV     1
 ASSI { 1904}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.47216E-50 ppm1      2.455 ppm2      8.602 CV     1
 ASSI { 1906}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.305 ppm2      8.589 CV     1
 ASSI { 1907}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      8.275 CV     1
 ASSI { 1908}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.275 CV     1
 ASSI { 1909}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.336 ppm2      8.276 CV     1
 ASSI { 1910}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      8.560 CV     1
 ASSI { 1911}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.973 ppm2      8.560 CV     1
 ASSI { 1912}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.35833E-02 ppm1      1.827 ppm2      8.606 CV     1
 ASSI { 1913}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.829 ppm2      8.561 CV     1
 ASSI { 1915}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      8.539 CV     1
 OR { 1915}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1916}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      1.658 ppm2      8.445 CV     1
 OR { 1916}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1917}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      8.539 CV     1
 OR { 1917}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1918}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      8.539 CV     1
 ASSI { 1919}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.859 ppm2      8.541 CV     1
 ASSI { 1920}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      8.541 CV     1
 ASSI { 1923}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      6.871 CV     1
 ASSI { 1924}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.47044E-03 ppm1      1.012 ppm2      6.869 CV     1
 ASSI { 1925}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      6.871 CV     1
 ASSI { 1926}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.75002E-03 ppm1      0.903 ppm2      8.446 CV     1
 ASSI { 1927}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      8.442 CV     1
 ASSI { 1928}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.15114E-01 ppm1      1.391 ppm2      8.232 CV     1
 ASSI { 1931}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.728 ppm2      8.348 CV     1
 ASSI { 1932}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.850 ppm2      8.355 CV     1
 ASSI { 1933}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      8.354 CV     1
 ASSI { 1934}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.944 ppm2      8.356 CV     1
 ASSI { 1935}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.18783E-01 ppm1      2.301 ppm2      8.071 CV     1
 ASSI { 1936}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.14461E-02 ppm1      1.829 ppm2      8.068 CV     1
 ASSI { 1937}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      8.072 CV     1
 ASSI { 1938}
   (( segid "    " and resid 58   and name HG  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.626 ppm2      8.073 CV     1
 ASSI { 1939}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.692 ppm2      8.072 CV     1
 ASSI { 1941}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.818 ppm2      8.147 CV     1
 ASSI { 1942}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.681 ppm2      8.127 CV     1
 ASSI { 1943}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      8.127 CV     1
 ASSI { 1944}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      8.127 CV     1
 ASSI { 1945}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      8.127 CV     1
 ASSI { 1946}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      8.072 CV     1
 ASSI { 1947}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      8.070 CV     1
 ASSI { 1948}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.185 ppm2      8.349 CV     1
 ASSI { 1949}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      7.995 CV     1
 ASSI { 1950}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.189 ppm2      7.990 CV     1
 ASSI { 1951}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      8.455 CV     1
 ASSI { 1952}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      5.100     3.200     0.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.45806E-03 ppm1      3.900 ppm2      8.150 CV     1
 ASSI { 1953}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.980 ppm2      8.258 CV     1
 ASSI { 1954}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      8.258 CV     1
 ASSI { 1955}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      8.258 CV     1
 ASSI { 1956}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.850 ppm2      8.258 CV     1
 ASSI { 1957}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.776 ppm2      8.258 CV     1
 ASSI { 1958}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.670 ppm2      8.184 CV     1
 ASSI { 1959}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.585 ppm2      8.185 CV     1
 ASSI { 1960}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.663 ppm2      8.225 CV     1
 ASSI { 1961}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.676 ppm2      8.263 CV     1
 ASSI { 1962}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.720 ppm2      8.264 CV     1
 ASSI { 1963}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.931 ppm2      8.148 CV     1
 ASSI { 1964}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.931 ppm2      8.072 CV     1
 ASSI { 1965}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.770 ppm2      8.123 CV     1
 ASSI { 1966}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.783 ppm2      8.561 CV     1
 ASSI { 1967}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.28680E-02 ppm1      6.934 ppm2      8.147 CV     1
 ASSI { 1968}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.088 ppm2      8.187 CV     1
 ASSI { 1969}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.151 ppm2      8.187 CV     1
 ASSI { 1970}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.916 ppm2      8.266 CV     1
 ASSI { 1971}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.091 ppm2      8.269 CV     1
 ASSI { 1973}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      8.147 CV     1
 OR { 1973}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1974}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      8.148 CV     1
 ASSI { 1975}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.46047E-02 ppm1      3.343 ppm2      8.149 CV     1
 ASSI { 1976}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.400 ppm2      8.149 CV     1
 ASSI { 1977}
   (( segid "    " and resid 45   and name HD22))
   (( segid "    " and resid 45   and name HD21))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.954 ppm2      7.609 CV     1
 ASSI { 1978}
   (( segid "    " and resid 37   and name HD22))
   (( segid "    " and resid 37   and name HD21))
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.901 ppm2      7.603 CV     1
 ASSI { 1979}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.100     0.500     0.500 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.23254E-01 ppm1      6.513 ppm2      7.403 CV     1
 ASSI { 1981}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HE3 ))
      4.800     2.900     1.200 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.14385E-02 ppm1      6.520 ppm2      7.277 CV     1
 ASSI { 1982}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 48   and name HE3 ))
      2.500     0.800     0.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.16747E-01 ppm1      6.658 ppm2      7.277 CV     1
 ASSI { 1983}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 11   and name HE% )
      2.000     0.500     0.500 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.54094E-01 ppm1      6.926 ppm2      7.281 CV     1
 ASSI { 1984}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 31   and name HD% )
      2.000     0.500     0.500 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.45634E-01 ppm1      6.899 ppm2      7.104 CV     1
 ASSI { 1985}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.12022E-01 ppm1      7.156 ppm2      7.404 CV     1
 ASSI { 1986}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.699 ppm2      6.916 CV     1
 ASSI { 1987}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE1 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.181 ppm2      7.630 CV     1
 ASSI { 1988}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      2.900     1.100     1.100 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.67196E-02 ppm1      5.534 ppm2      7.105 CV     1
 ASSI { 1989}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.400     1.500     1.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.43330E-02 ppm1      5.733 ppm2      7.108 CV     1
 ASSI { 1990}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      5.400     3.700     0.600 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      5.536 ppm2      6.877 CV     1
 ASSI { 1991}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      5.200     3.400     0.800 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.60387E-03 ppm1      5.303 ppm2      7.385 CV     1
 ASSI { 1994}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.286 ppm2      7.405 CV     1
 ASSI { 1995}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.969 ppm2      7.281 CV     1
 ASSI { 1996}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.217 ppm2      7.280 CV     1
 ASSI { 1997}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HD1 ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.969 ppm2      7.292 CV     1
 ASSI { 1998}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
      6.000     4.500     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.220 ppm2      7.291 CV     1
 ASSI { 1999}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      2.800     1.000     1.000 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.68365E-02 ppm1      2.969 ppm2      7.105 CV     1
 ASSI { 2001}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.78957E-02 ppm1      2.795 ppm2      7.135 CV     1
 ASSI { 2002}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.322 ppm2      7.135 CV     1
 ASSI { 2003}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.464 ppm2      7.135 CV     1
 ASSI { 2004}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HD21))
      6.000     4.500     0.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.922 ppm2      7.604 CV     1
 ASSI { 2005}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD21))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      7.607 CV     1
 OR { 2005}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD21))
 ASSI { 2007}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
      3.700     1.700     1.700 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.21091E-02 ppm1      3.327 ppm2      7.461 CV     1
 ASSI { 2008}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     4.500     0.000 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.405 ppm2      7.391 CV     1
 ASSI { 2009}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 8    and name HD2 ))
      5.400     3.600     0.600 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.77203E-03 ppm1      2.727 ppm2      7.504 CV     1
 ASSI { 2010}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.727 ppm2      7.282 CV     1
 ASSI { 2012}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
      5.000     3.200     1.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.58255E-03 ppm1      3.881 ppm2      7.505 CV     1
 ASSI { 2014}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.12961E-02 ppm1      3.884 ppm2      7.403 CV     1
 ASSI { 2015}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      7.136 CV     1
 ASSI { 2016}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.63173E-02 ppm1      3.864 ppm2      7.108 CV     1
 ASSI { 2017}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HD21))
      6.000     4.500     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.634 ppm2      7.600 CV     1
 ASSI { 2018}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      5.100     3.200     0.900 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.57258E-03 ppm1      2.878 ppm2      7.106 CV     1
 ASSI { 2021}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.200     2.200     1.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      4.452 ppm2      7.174 CV     1
 ASSI { 2022}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 34   and name HD2 ))
      5.600     3.900     0.400 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.29430E-03 ppm1      1.299 ppm2      7.172 CV     1
 ASSI { 2023}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.600     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.34905E-03 ppm1      1.470 ppm2      7.172 CV     1
 ASSI { 2024}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.085 ppm2      7.531 CV     1
 OR { 2024}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2025}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      5.300     3.500     0.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.35971E-03 ppm1      1.372 ppm2      7.580 CV     1
 ASSI { 2028}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.26940E-02 ppm1      1.704 ppm2      7.581 CV     1
 ASSI { 2029}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      3.300     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.42986E-02 ppm1      1.863 ppm2      7.288 CV     1
 ASSI { 2030}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.543 ppm2      6.982 CV     1
 ASSI { 2031}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.839 ppm2      6.980 CV     1
 OR { 2031}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 2032}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.700     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.29867E-03 ppm1      1.758 ppm2      6.983 CV     1
 ASSI { 2033}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 31   and name HD% )
      4.900     3.000     1.100 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.67230E-03 ppm1      2.302 ppm2      7.105 CV     1
 ASSI { 2034}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 12   and name HG  ))
      3.700     1.700     1.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.50277E-02 ppm1     -0.136 ppm2      7.387 CV     1
 ASSI { 2035}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HZ2 ))
      4.600     2.700     1.400 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.53578E-03 ppm1      0.389 ppm2      7.103 CV     1
 ASSI { 2036}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      5.200     3.400     0.800 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      0.650 ppm2      7.135 CV     1
 ASSI { 2037}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.500     1.500 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.21517E-02 ppm1      0.796 ppm2      7.135 CV     1
 ASSI { 2038}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.14185E-02 ppm1      0.792 ppm2      6.982 CV     1
 ASSI { 2041}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     5.800     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.26885E-03 ppm1      0.792 ppm2      7.405 CV     1
 ASSI { 2043}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 48   and name HH2 ))
      4.100     2.100     1.900 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.34698E-02 ppm1      3.879 ppm2      6.501 CV     1
 ASSI { 2047}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      6.000     4.500     0.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      6.876 CV     1
 ASSI { 2048}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.208 ppm2      6.878 CV     1
 ASSI { 2049}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 48   and name HH2 ))
      5.300     3.500     0.700 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.33182E-03 ppm1      2.730 ppm2      6.509 CV     1
 ASSI { 2051}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HD22))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.632 ppm2      6.891 CV     1
 ASSI { 2052}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      4.600     2.600     1.400 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      2.732 ppm2      6.882 CV     1
 ASSI { 2053}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HD22))
      6.000     4.500     0.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.920 ppm2      6.892 CV     1
 ASSI { 2055}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.100     1.100 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.53784E-02 ppm1      3.911 ppm2      6.916 CV     1
 ASSI { 2056}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      6.687 CV     1
 ASSI { 2057}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.887 ppm2      9.241 CV     1
 ASSI { 2059}
   (( segid "    " and resid 13   and name HG3 ))
   (  segid "    " and resid 11   and name HD% )
      3.900     1.900     1.900 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.29100E-02 ppm1      1.624 ppm2      6.918 CV     1
 ASSI { 2062}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      2.144 ppm2      6.917 CV     1
 ASSI { 2063}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      6.000     4.500     0.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.434 ppm2      6.878 CV     1
 ASSI { 2064}
   (( segid "    " and resid 10   and name HG2 ))
   (  segid "    " and resid 11   and name HD% )
      6.000     5.900     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.11300E-03 ppm1      2.271 ppm2      6.917 CV     1
 ASSI { 2065}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.827 ppm2      6.690 CV     1
 OR { 2065}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2066}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      7.662 CV     1
 ASSI { 2068}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      7.690 CV     1
 ASSI { 2070}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      7.665 CV     1
 ASSI { 2071}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.048 ppm2      7.665 CV     1
 ASSI { 2072}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      7.688 CV     1
 ASSI { 2073}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      2.900     1.100     1.100 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.85972E-02 ppm1      4.350 ppm2      7.503 CV     1
 ASSI { 2074}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      4.000     2.000     2.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.21142E-02 ppm1      4.360 ppm2      7.461 CV     1
 ASSI { 2078}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.900     1.900     1.900 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.22566E-02 ppm1      1.563 ppm2      7.504 CV     1
 ASSI { 2079}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      1.909 CV     1
 ASSI { 2080}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.734 ppm2      1.784 CV     1
 OR { 2080}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2081}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.736 ppm2      1.910 CV     1
 ASSI { 2082}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.736 ppm2      2.210 CV     1
 ASSI { 2083}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.728 ppm2      7.822 CV     1
 OR { 2083}
   (( segid "    " and resid 61   and name HD3 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2085}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.869 ppm2      8.456 CV     1
 ASSI { 2086}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 13   and name HE  ))
      4.300     2.300     1.700 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.50964E-03 ppm1      6.917 ppm2      8.637 CV     1
 ASSI { 2087}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.435 ppm2      4.311 CV     1
 ASSI { 2088}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.754 ppm2      3.734 CV     1
 OR { 2088}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
 ASSI { 2089}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.892 CV     1
 ASSI { 2090}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.431 ppm2      3.847 CV     1
 ASSI { 2091}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.410 ppm2      3.833 CV     1
 ASSI { 2092}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.357 ppm2      3.719 CV     1
 ASSI { 2093}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.386 ppm2      3.736 CV     1
 OR { 2093}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
 ASSI { 2094}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD3 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.403 ppm2      3.777 CV     1
 ASSI { 2095}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
      6.000     4.500     0.000 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      3.780 CV     1
 ASSI { 2097}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HD3 ))
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.906 ppm2      3.780 CV     1
 ASSI { 2098}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HD3 ))
      6.000     4.500     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.795 ppm2      3.681 CV     1
 ASSI { 2099}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HD3 ))
      6.000     4.500     0.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.807 ppm2      3.687 CV     1
 ASSI { 2101}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.500     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      3.323 CV     1
 ASSI { 2102}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      3.277 CV     1
 ASSI { 2103}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.400     2.400     1.600 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      4.183 ppm2      3.276 CV     1
 ASSI { 2104}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      3.454 CV     1
 ASSI { 2105}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.933 ppm2      3.388 CV     1
 ASSI { 2106}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.880 ppm2      3.309 CV     1
 ASSI { 2108}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.476 ppm2      3.310 CV     1
 ASSI { 2109}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.510 ppm2      3.319 CV     1
 ASSI { 2110}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.280 ppm2      2.701 CV     1
 ASSI { 2111}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.323 ppm2      2.783 CV     1
 ASSI { 2112}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      2.864 CV     1
 ASSI { 2113}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.212 ppm2      2.948 CV     1
 ASSI { 2114}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.464 ppm2      3.115 CV     1
 ASSI { 2115}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.929 ppm2      2.609 CV     1
 ASSI { 2116}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.833 ppm2      2.619 CV     1
 ASSI { 2117}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
      4.400     2.400     1.600 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.28914E-02 ppm1      3.317 ppm2      2.616 CV     1
 ASSI { 2118}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.643 ppm2      2.448 CV     1
 ASSI { 2119}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 14   and name HB  ))
      2.500     0.800     0.800 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.68537E-02 ppm1      2.872 ppm2      2.283 CV     1
 ASSI { 2120}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.516 ppm2      2.070 CV     1
 ASSI { 2121}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.682 ppm2      2.311 CV     1
 ASSI { 2122}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.685 ppm2      2.302 CV     1
 ASSI { 2123}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.746 ppm2      2.299 CV     1
 OR { 2123}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2124}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.799 ppm2      2.298 CV     1
 ASSI { 2125}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      2.238 CV     1
 ASSI { 2126}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.682 ppm2      2.083 CV     1
 OR { 2126}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 2127}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.701 ppm2      2.123 CV     1
 ASSI { 2128}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.791 ppm2      2.083 CV     1
 OR { 2128}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2129}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.804 ppm2      2.118 CV     1
 ASSI { 2130}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.908 ppm2      2.121 CV     1
 ASSI { 2131}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.906 ppm2      2.240 CV     1
 ASSI { 2132}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      2.286 CV     1
 ASSI { 2133}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.792 ppm2      2.120 CV     1
 ASSI { 2134}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.643 ppm2      2.072 CV     1
 ASSI { 2135}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.887 ppm2      2.072 CV     1
 ASSI { 2136}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.911 ppm2      1.979 CV     1
 ASSI { 2138}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.701 ppm2      2.066 CV     1
 ASSI { 2139}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.703 ppm2      2.017 CV     1
 ASSI { 2140}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.685 ppm2      1.857 CV     1
 ASSI { 2141}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.750 ppm2      2.012 CV     1
 OR { 2141}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI { 2142}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      1.966 CV     1
 OR { 2142}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI { 2143}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.500     0.000 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.788 ppm2      1.857 CV     1
 ASSI { 2144}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.806 ppm2      2.019 CV     1
 ASSI { 2145}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.679 ppm2      1.831 CV     1
 ASSI { 2146}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      1.808 CV     1
 ASSI { 2147}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 40   and name HG  ))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.795 ppm2      1.745 CV     1
 ASSI { 2148}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.794 ppm2      1.841 CV     1
 ASSI { 2149}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.914 ppm2      1.839 CV     1
 ASSI { 2150}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.918 ppm2      1.766 CV     1
 ASSI { 2151}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.750 ppm2      1.916 CV     1
 OR { 2151}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HG3 ))
 ASSI { 2152}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.641 ppm2      1.905 CV     1
 ASSI { 2153}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HG2 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      2.004 CV     1
 OR { 2153}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HG2 ))
 ASSI { 2154}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      1.973 CV     1
 OR { 2154}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HB3 ))
 ASSI { 2155}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HG3 ))
      6.000     4.500     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      1.949 CV     1
 OR { 2155}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HG3 ))
 ASSI { 2156}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      1.694 CV     1
 ASSI { 2157}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG3 ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      1.605 CV     1
 ASSI { 2158}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.500     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.907 ppm2      1.532 CV     1
 ASSI { 2159}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG13))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.275 CV     1
 ASSI { 2160}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.907 ppm2      1.364 CV     1
 ASSI { 2161}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.443 CV     1
 ASSI { 2162}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG12))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      1.580 CV     1
 ASSI { 2163}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      1.237 CV     1
 ASSI { 2164}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      1.236 CV     1
 ASSI { 2165}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.286 ppm2      1.378 CV     1
 ASSI { 2166}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      1.399 CV     1
 OR { 2166}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2167}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      1.193 CV     1
 ASSI { 2168}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      4.500     2.500     1.500 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      4.452 ppm2      1.119 CV     1
 ASSI { 2170}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.500     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      1.457 CV     1
 OR { 2170}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 2171}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      1.474 CV     1
 ASSI { 2172}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      1.619 CV     1
 ASSI { 2173}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      6.000     4.500     0.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      1.592 CV     1
 OR { 2173}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD3 ))
 ASSI { 2174}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      6.000     4.500     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.340 ppm2      1.584 CV     1
 ASSI { 2175}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG  ))
      6.000     4.500     0.000 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.340 ppm2      1.603 CV     1
 ASSI { 2176}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
      6.000     4.500     0.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.367 ppm2      1.604 CV     1
 ASSI { 2177}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.366 ppm2      1.638 CV     1
 OR { 2177}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI { 2178}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.340 ppm2      1.676 CV     1
 ASSI { 2179}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.500     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      1.670 CV     1
 ASSI { 2180}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.413 ppm2      1.528 CV     1
 ASSI { 2181}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.000 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.174 ppm2      1.670 CV     1
 ASSI { 2182}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.829 CV     1
 ASSI { 2183}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HD2 ))
      6.000     4.500     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      1.695 CV     1
 OR { 2183}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HD3 ))
 ASSI { 2184}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      6.000     4.500     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.180 ppm2      1.719 CV     1
 ASSI { 2185}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      6.000     4.500     0.000 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.191 ppm2      1.727 CV     1
 ASSI { 2186}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.351 ppm2      1.783 CV     1
 OR { 2186}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 2187}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.500     0.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.402 ppm2      1.819 CV     1
 OR { 2187}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI { 2188}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.403 ppm2      1.837 CV     1
 ASSI { 2189}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      1.799 CV     1
 ASSI { 2190}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      2.393 CV     1
 ASSI { 2191}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      1.825 CV     1
 ASSI { 2192}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      1.859 CV     1
 ASSI { 2193}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.836 ppm2      1.742 CV     1
 ASSI { 2194}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG  ))
      6.000     4.500     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.895 ppm2      1.573 CV     1
 ASSI { 2195}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.871 ppm2      1.548 CV     1
 ASSI { 2196}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.835 ppm2      1.528 CV     1
 ASSI { 2197}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.836 ppm2      1.445 CV     1
 ASSI { 2198}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      2.005 CV     1
 ASSI { 2199}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      2.083 CV     1
 ASSI { 2200}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     4.500     0.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      2.162 CV     1
 ASSI { 2201}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      2.201 CV     1
 ASSI { 2202}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.404 ppm2      2.123 CV     1
 ASSI { 2203}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.433 ppm2      2.085 CV     1
 OR { 2203}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2204}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.431 ppm2      1.857 CV     1
 ASSI { 2207}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.403 ppm2      2.044 CV     1
 ASSI { 2208}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.403 ppm2      2.005 CV     1
 ASSI { 2209}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.390 ppm2      2.013 CV     1
 ASSI { 2210}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.976 CV     1
 ASSI { 2211}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      1.965 CV     1
 ASSI { 2212}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     4.500     0.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.474 ppm2      1.954 CV     1
 ASSI { 2213}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG3 ))
      6.000     4.500     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.950 CV     1
 ASSI { 2214}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     4.500     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.972 CV     1
 ASSI { 2215}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG2 ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      2.006 CV     1
 ASSI { 2216}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.550 ppm2      2.003 CV     1
 ASSI { 2217}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      1.917 CV     1
 ASSI { 2218}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      1.909 CV     1
 ASSI { 2219}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.552 ppm2      2.077 CV     1
 ASSI { 2220}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.477 ppm2      1.831 CV     1
 ASSI { 2221}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.476 ppm2      1.809 CV     1
 ASSI { 2222}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.358 ppm2      2.211 CV     1
 ASSI { 2223}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.377 ppm2      2.227 CV     1
 OR { 2223}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI { 2224}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      2.236 CV     1
 ASSI { 2225}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      2.298 CV     1
 ASSI { 2226}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.437 ppm2      2.301 CV     1
 ASSI { 2227}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      2.314 CV     1
 ASSI { 2228}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      6.000     4.500     0.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      2.311 CV     1
 ASSI { 2230}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.778 ppm2      2.767 CV     1
 OR { 2230}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 2231}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.728 ppm2      2.901 CV     1
 ASSI { 2232}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.748 ppm2      2.906 CV     1
 OR { 2232}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI { 2233}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.881 ppm2      2.782 CV     1
 ASSI { 2234}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.892 ppm2      2.791 CV     1
 ASSI { 2235}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.890 ppm2      2.724 CV     1
 ASSI { 2236}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.212 ppm2      1.775 CV     1
 ASSI { 2237}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.209 ppm2      1.827 CV     1
 ASSI { 2238}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      1.978 CV     1
 ASSI { 2239}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.410 ppm2      1.809 CV     1
 ASSI { 2240}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.410 ppm2      1.832 CV     1
 ASSI { 2241}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.410 ppm2      1.951 CV     1
 ASSI { 2242}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      1.909 CV     1
 ASSI { 2243}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      1.777 CV     1
 ASSI { 2244}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      1.825 CV     1
 ASSI { 2245}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.972 ppm2      1.621 CV     1
 OR { 2245}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 2246}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.980 ppm2      1.798 CV     1
 OR { 2246}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2247}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.290 ppm2      1.979 CV     1
 ASSI { 2248}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.457 ppm2      2.069 CV     1
 ASSI { 2249}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     4.500     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.333 ppm2      1.949 CV     1
 ASSI { 2250}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.827 CV     1
 ASSI { 2251}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.814 CV     1
 ASSI { 2252}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.457 ppm2      1.901 CV     1
 ASSI { 2253}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.457 ppm2      1.954 CV     1
 ASSI { 2254}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.457 ppm2      2.064 CV     1
 ASSI { 2257}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.274 ppm2      1.815 CV     1
 OR { 2257}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 2258}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HG3 ))
      6.000     4.500     0.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.276 ppm2      2.126 CV     1
 ASSI { 2259}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.783 CV     1
 OR { 2259}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 2260}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.888 ppm2      1.675 CV     1
 ASSI { 2261}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.085 ppm2      1.445 CV     1
 ASSI { 2262}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.206 ppm2      1.474 CV     1
 ASSI { 2263}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.241 ppm2      1.552 CV     1
 ASSI { 2264}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.500     0.000 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.251 ppm2      1.544 CV     1
 ASSI { 2265}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      1.303 CV     1
 ASSI { 2266}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB3 ))
      6.000     4.500     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.697 ppm2      1.367 CV     1
 ASSI { 2267}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
      2.300     0.700     0.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.21617E-01 ppm1      1.759 ppm2      0.698 CV     1
 ASSI { 2268}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     4.500     0.000 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.845 ppm2      0.696 CV     1
 ASSI { 2269}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.759 ppm2      0.916 CV     1
 ASSI { 2270}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.784 ppm2      0.900 CV     1
 ASSI { 2271}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      1.170 CV     1
 ASSI { 2272}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.305 CV     1
 ASSI { 2273}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.193 CV     1
 ASSI { 2274}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      0.777 CV     1
 ASSI { 2275}
   (( segid "    " and resid 33   and name HG13))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.288 ppm2      0.776 CV     1
 ASSI { 2276}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.500     0.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.257 ppm2      0.897 CV     1
 ASSI { 2277}
   (( segid "    " and resid 43   and name HG13))
   (  segid "    " and resid 43   and name HD1%)
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      0.774 CV     1
 ASSI { 2278}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      0.777 CV     1
 ASSI { 2279}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      0.921 CV     1
 ASSI { 2280}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      0.905 CV     1
 ASSI { 2281}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.496 ppm2      1.302 CV     1
 ASSI { 2282}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HG13))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      1.281 CV     1
 ASSI { 2283}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      1.243 CV     1
 ASSI { 2284}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.491 ppm2      1.192 CV     1
 ASSI { 2285}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      1.192 CV     1
 ASSI { 2286}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.792 ppm2      0.586 CV     1
 ASSI { 2287}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      0.629 CV     1
 ASSI { 2288}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      0.543 CV     1
 OR { 2288}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 2289}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      1.303 CV     1
 OR { 2289}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2290}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      1.477 CV     1
 OR { 2290}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI { 2291}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.978 ppm2      1.190 CV     1
 OR { 2291}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 2294}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.909 ppm2      0.913 CV     1
 ASSI { 2296}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.334 ppm2      0.860 CV     1
 ASSI { 2297}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.897 ppm2      0.736 CV     1
 ASSI { 2298}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.895 ppm2      0.811 CV     1
 ASSI { 2299}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.899 ppm2      0.875 CV     1
 ASSI { 2300}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.899 ppm2      1.163 CV     1
 ASSI { 2301}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.928 ppm2      1.120 CV     1
 ASSI { 2302}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      4.800     2.900     1.200 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.42539E-03 ppm1      0.913 ppm2      0.631 CV     1
 ASSI { 2304}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 49   and name HD1%)
      2.800     1.000     1.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.17205E-01 ppm1      1.062 ppm2      0.808 CV     1
 ASSI { 2305}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
      6.000     4.500     0.000 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.183 ppm2      0.810 CV     1
 ASSI { 2306}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 36   and name HD2%)
      5.300     3.600     0.700 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.36074E-03 ppm1      0.943 ppm2      0.540 CV     1
 ASSI { 2307}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 43   and name HG2%)
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      0.892 CV     1
 ASSI { 2308}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.588 ppm2      0.876 CV     1
 ASSI { 2309}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.534 ppm2      0.916 CV     1
 ASSI { 2310}
   (( segid "    " and resid 49   and name HG  ))
   (  segid "    " and resid 49   and name HD1%)
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.589 ppm2      0.815 CV     1
 ASSI { 2311}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 43   and name HD1%)
      6.000     4.500     0.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      0.780 CV     1
 ASSI { 2312}
   (( segid "    " and resid 49   and name HG  ))
   (  segid "    " and resid 49   and name HD2%)
      6.000     4.500     0.000 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      0.736 CV     1
 ASSI { 2314}
   (( segid "    " and resid 51   and name HG3 ))
   (  segid "    " and resid 36   and name HD2%)
      2.900     1.100     1.100 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.12552E-01 ppm1      1.932 ppm2      0.544 CV     1
 ASSI { 2316}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
      4.400     2.400     1.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      1.778 ppm2      0.371 CV     1
 ASSI { 2317}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 22   and name HD2%)
      4.300     2.300     1.700 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      1.827 ppm2     -0.633 CV     1
 OR { 2317}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 2318}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.827 ppm2      0.371 CV     1
 OR { 2318}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 2319}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     6.000     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.11692E-03 ppm1      2.096 ppm2      0.371 CV     1
 ASSI { 2320}
   (( segid "    " and resid 18   and name HA1 ))
   (  segid "    " and resid 21   and name HD2%)
      4.300     2.300     1.700 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.16844E-02 ppm1      4.511 ppm2     -0.151 CV     1
 ASSI { 2321}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      5.600     4.000     0.400 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.69500E-03 ppm1      5.729 ppm2      0.405 CV     1
 ASSI { 2322}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.729 ppm2      3.494 CV     1
 ASSI { 2323}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.510 ppm2      7.580 CV     1
 ASSI { 2324}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 49   and name HD2%)
      4.500     2.600     1.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      2.745 ppm2      0.733 CV     1
 ASSI { 2325}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 49   and name HD2%)
      3.200     1.300     1.300 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.31748E-02 ppm1      2.817 ppm2      0.735 CV     1
 ASSI { 2327}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 14   and name HG2%)
      3.100     1.200     1.200 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.58461E-02 ppm1      2.879 ppm2      1.120 CV     1
 ASSI { 2328}
   (( segid "    " and resid 13   and name HD2 ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     4.500     0.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.283 ppm2      1.120 CV     1
 ASSI { 2329}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
      4.700     2.700     1.300 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.27174E-02 ppm1      3.395 ppm2      1.119 CV     1
 ASSI { 2330}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.826 ppm2      0.696 CV     1
 ASSI { 2331}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
      3.400     1.400     1.400 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.61419E-02 ppm1      1.189 ppm2      0.996 CV     1
 ASSI { 2332}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 49   and name HD1%)
      4.900     3.000     1.100 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.74211E-03 ppm1      2.240 ppm2      0.807 CV     1
 OR { 2332}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 2335}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.767 ppm2      0.628 CV     1
 ASSI { 2339}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
      4.000     2.000     2.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.53269E-02 ppm1      2.737 ppm2      1.049 CV     1
 ASSI { 2341}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.500     0.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.335 ppm2      0.920 CV     1
 ASSI { 2342}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.500     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      0.891 CV     1
 ASSI { 2343}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.368 ppm2      0.883 CV     1
 ASSI { 2344}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.365 ppm2      0.845 CV     1
 ASSI { 2345}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.925 ppm2      1.464 CV     1
 OR { 2345}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2346}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 14   and name HG1%)
      3.100     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.64411E-02 ppm1      2.882 ppm2      1.298 CV     1
 ASSI { 2347}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.433 ppm2      1.713 CV     1
 ASSI { 2348}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.437 ppm2      1.450 CV     1
 OR { 2348}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 2352}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      4.000     2.000     2.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.20506E-02 ppm1      4.013 ppm2      1.171 CV     1
 ASSI { 2355}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.097 ppm2      2.612 CV     1
 ASSI { 2356}
   (( segid "    " and resid 18   and name HA1 ))
   (  segid "    " and resid 21   and name HD1%)
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.510 ppm2      0.407 CV     1
 ASSI { 2359}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HE  ))
      6.000     4.500     0.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.914 ppm2      8.638 CV     1
 ASSI { 2360}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.462 ppm2      2.421 CV     1
 ASSI { 2361}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.308 ppm2      2.421 CV     1
 ASSI { 2362}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      9.092 CV     1
 ASSI { 2364}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
      4.800     2.900     1.200 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.52925E-03 ppm1      0.914 ppm2      5.724 CV     1
 ASSI { 2368}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 32   and name HD2 ))
      6.000     5.500     0.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.12160E-03 ppm1     -0.132 ppm2      7.627 CV     1
 ASSI { 2369}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.600     0.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.14767E-03 ppm1      1.460 ppm2      7.628 CV     1
 ASSI { 2370}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      6.000     4.700     0.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.26768E-03 ppm1      1.252 ppm2      6.640 CV     1
 ASSI { 2371}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.39616E-02 ppm1      1.446 ppm2      6.983 CV     1
 ASSI { 2372}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.10248E-02 ppm1      1.797 ppm2      8.002 CV     1
 ASSI { 2374}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      5.500     3.800     0.500 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.52753E-03 ppm1      2.017 ppm2      8.231 CV     1
 ASSI { 2375}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HN  ))
      5.900     4.300     0.100 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.26328E-03 ppm1      3.528 ppm2      8.226 CV     1
 ASSI { 2378}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.900     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.35352E-03 ppm1      2.222 ppm2      9.335 CV     1
 ASSI { 2380}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 31   and name HN  ))
      4.500     2.500     1.500 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.21889E-03 ppm1      6.893 ppm2      9.197 CV     1
 ASSI { 2381}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      6.000     5.400     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.18680E-03 ppm1      4.009 ppm2      7.106 CV     1
 ASSI { 2382}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 48   and name HH2 ))
      6.000     6.000     0.000 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.24564E-03 ppm1      5.532 ppm2      6.500 CV     1
 ASSI { 2383}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      5.500     3.800     0.500 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.34664E-03 ppm1      4.686 ppm2      6.876 CV     1
 ASSI { 2384}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.50964E-02 ppm1      4.461 ppm2      6.918 CV     1
 ASSI { 2386}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 31   and name HE% )
      6.000     4.600     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.26645E-03 ppm1      2.301 ppm2      6.879 CV     1
 ASSI { 2387}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.900     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.38241E-03 ppm1      1.131 ppm2      8.148 CV     1
 ASSI { 2388}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 31   and name HE% )
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2      6.879 CV     1
 ASSI { 2391}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      5.100     3.300     0.900 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.60490E-03 ppm1      2.638 ppm2      7.021 CV     1
 OR { 2391}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI { 2393}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 29   and name HN  ))
      4.800     2.900     1.200 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.14406E-03 ppm1      7.125 ppm2      9.337 CV     1
 ASSI { 2394}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 48   and name HE1 ))
      6.000     6.000     0.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.15021E-03 ppm1      1.454 ppm2      9.822 CV     1
 ASSI { 2395}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      5.700     4.000     0.300 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.59665E-03 ppm1      4.923 ppm2      8.835 CV     1
 ASSI { 2396}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      5.900     4.400     0.100 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.27841E-03 ppm1      6.509 ppm2      8.677 CV     1
 ASSI { 2397}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.600     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.17621E-03 ppm1      5.731 ppm2      8.447 CV     1
 ASSI { 2398}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 23   and name HN  ))
      5.300     3.500     0.700 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.27325E-03 ppm1      7.297 ppm2      8.451 CV     1
 ASSI { 2399}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.64789E-03 ppm1      0.424 ppm2      8.594 CV     1
 ASSI { 2400}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.29602E-03 ppm1     -0.129 ppm2      8.595 CV     1
 ASSI { 2401}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.35386E-03 ppm1      6.997 ppm2      7.531 CV     1
 ASSI { 2402}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      4.900     3.000     1.100 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.12170E-02 ppm1      4.007 ppm2      2.904 CV     1
 OR { 2402}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2405}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.800     1.800     1.800 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.45222E-02 ppm1      3.527 ppm2      3.259 CV     1
 ASSI { 2406}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      5.800     4.200     0.200 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.36555E-03 ppm1      3.878 ppm2      3.458 CV     1
 ASSI { 2408}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.535 ppm2      1.819 CV     1
 ASSI { 2409}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     5.100     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.59837E-03 ppm1      4.533 ppm2      1.171 CV     1
 ASSI { 2410}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      4.200     2.300     1.800 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.64204E-03 ppm1      4.535 ppm2      1.881 CV     1
 ASSI { 2412}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.209 ppm2      2.388 CV     1
 ASSI { 2413}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      2.391 CV     1
 ASSI { 2414}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.920 CV     1
 ASSI { 2415}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.775 CV     1
 ASSI { 2416}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      1.909 CV     1
 ASSI { 2417}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.414 ppm2      1.827 CV     1
 ASSI { 2418}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HD3 ))
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      3.189 CV     1
 ASSI { 2419}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 44   and name HG3 ))
      3.600     1.600     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.26706E-02 ppm1      2.966 ppm2      1.827 CV     1
 OR { 2419}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 2420}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 14   and name HG1%)
      5.700     4.000     0.300 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.63001E-03 ppm1      5.541 ppm2      1.298 CV     1
 ASSI { 2421}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 14   and name HG1%)
      4.400     2.400     1.600 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      4.447 ppm2      1.297 CV     1
 ASSI { 2422}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.890 ppm2      9.100 CV     1
 ASSI { 2423}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.671 ppm2      8.829 CV     1
 ASSI { 2424}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.868 ppm2      8.598 CV     1
 ASSI { 2425}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      5.100     3.200     0.900 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.31889E-03 ppm1      4.863 ppm2      7.504 CV     1
 ASSI { 2426}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.829 ppm2      0.918 CV     1
 ASSI { 2427}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG13))
      6.000     5.700     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.25438E-03 ppm1      4.412 ppm2      1.069 CV     1
 ASSI { 2428}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      5.300     3.500     0.700 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.65442E-03 ppm1      2.802 ppm2      1.889 CV     1
 ASSI { 2433}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.500     2.500     1.500 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.63069E-03 ppm1      3.891 ppm2      1.298 CV     1
 ASSI { 2435}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
      4.200     2.200     1.800 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.33206E-03 ppm1      4.533 ppm2      2.224 CV     1
 OR { 2435}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 2438}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.900     2.900     1.100 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.64617E-03 ppm1      8.132 ppm2      8.392 CV     1
 ASSI { 2439}
   (( segid "    " and resid 61   and name HD3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.723 ppm2      7.824 CV     1
 OR { 2439}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2440}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      7.823 CV     1
 ASSI { 2441}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.852 ppm2      7.824 CV     1
 ASSI { 2445}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.200     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.32601E-03 ppm1      0.424 ppm2      7.386 CV     1
 ASSI { 2446}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HH2 ))
      6.000     4.700     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.10578E-03 ppm1      0.392 ppm2      6.504 CV     1
 ASSI { 2447}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     5.400     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.11761E-03 ppm1      6.884 ppm2      9.242 CV     1
 ASSI { 2448}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      5.400     3.700     0.600 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.70360E-03 ppm1      3.510 ppm2      9.031 CV     1
 ASSI { 2449}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      5.200     3.400     0.800 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.37518E-03 ppm1      3.341 ppm2      9.032 CV     1
 ASSI { 2452}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.943 ppm2      8.074 CV     1
 ASSI { 2453}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.879 ppm2      8.074 CV     1
 ASSI { 2455}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     6.000     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.81846E-04 ppm1      3.888 ppm2      7.461 CV     1
 ASSI { 2456}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 48   and name HZ3 ))
      4.700     2.800     1.300 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.30898E-03 ppm1      0.792 ppm2      6.641 CV     1
 ASSI { 2457}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.200     1.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.11434E-03 ppm1      3.903 ppm2      6.686 CV     1
 ASSI { 2459}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HD2 ))
      6.000     5.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.26122E-03 ppm1      0.646 ppm2      7.175 CV     1
 ASSI { 2460}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HD2 ))
      6.000     6.000     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.64651E-04 ppm1      0.785 ppm2      7.175 CV     1
 ASSI { 2461}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.500     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.316 ppm2      7.175 CV     1
 ASSI { 2462}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 11   and name HE% )
      5.300     3.500     0.700 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.26872E-03 ppm1      2.148 ppm2      7.283 CV     1
 ASSI { 2463}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      6.000     5.700     0.000 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.17999E-03 ppm1      2.224 ppm2      7.284 CV     1
 ASSI { 2465}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 48   and name HD1 ))
      5.500     3.800     0.500 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.64926E-03 ppm1      3.402 ppm2      7.291 CV     1
 ASSI { 2467}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HA2 ))
      5.200     3.400     0.800 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.98937E-03 ppm1      5.307 ppm2      3.903 CV     1
 ASSI { 2469}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.300     3.500     0.700 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.35902E-03 ppm1      5.310 ppm2      2.697 CV     1
 ASSI { 2470}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      4.400     2.500     1.600 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.57258E-03 ppm1      5.308 ppm2      2.447 CV     1
 ASSI { 2471}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.200     2.200     1.800 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      4.680 ppm2      3.194 CV     1
 ASSI { 2472}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      5.600     4.000     0.400 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.42333E-03 ppm1      5.537 ppm2      2.857 CV     1
 ASSI { 2473}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      5.100     3.300     0.900 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.73077E-03 ppm1      5.730 ppm2      2.406 CV     1
 ASSI { 2474}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.538 ppm2      1.700 CV     1
 OR { 2474}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI { 2475}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.37003E-02 ppm1      0.847 ppm2      7.532 CV     1
 ASSI { 2476}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
      6.000     5.800     0.000 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.18453E-03 ppm1      0.564 ppm2      7.533 CV     1
 ASSI { 2477}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.800     2.900     1.200 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.71323E-03 ppm1      6.515 ppm2      7.532 CV     1
 ASSI { 2478}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HH2 ))
      5.300     3.500     0.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.41817E-03 ppm1      0.715 ppm2      6.502 CV     1
 ASSI { 2479}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.600     0.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.18893E-03 ppm1      1.581 ppm2      9.676 CV     1
 ASSI { 2481}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.47973E-02 ppm1      8.631 ppm2      8.277 CV     1
 ASSI { 2482}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.800     1.300 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.12500E-02 ppm1      8.607 ppm2      8.220 CV     1
 ASSI { 2483}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.20991E-02 ppm1      8.633 ppm2      8.071 CV     1
 ASSI { 2484}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.410 ppm2      8.074 CV     1
 ASSI { 2485}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.69672E-02 ppm1      8.174 ppm2      8.073 CV     1
 ASSI { 2486}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      8.264 ppm2      8.072 CV     1
 ASSI { 2487}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.13250E-02 ppm1      8.299 ppm2      8.151 CV     1
 ASSI { 2488}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.839 ppm2      7.528 CV     1
 ASSI { 2489}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.895 ppm2      6.870 CV     1
 ASSI { 2490}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.759 ppm2      7.689 CV     1
 ASSI { 2492}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.963 ppm2      8.409 CV     1
 OR { 2492}
   (( segid "    " and resid 60   and name HA2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2493}
   (( segid "    " and resid 2    and name HD3 ))
   (( segid "    " and resid 2    and name HG2 ))
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.588 ppm2      1.999 CV     1
 OR { 2493}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HG2 ))
 ASSI { 2495}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HG3 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.594 ppm2      1.957 CV     1
 OR { 2495}
   (( segid "    " and resid 2    and name HD3 ))
   (( segid "    " and resid 2    and name HG3 ))
 ASSI { 2496}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.488 ppm2      1.615 CV     1
 ASSI { 2498}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     4.500     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.515 ppm2      1.950 CV     1
 ASSI { 2500}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.515 ppm2      1.908 CV     1
 ASSI { 2501}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     4.500     0.000 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.640 ppm2      1.950 CV     1
 ASSI { 2502}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HD3 ))
      6.000     4.500     0.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.645 ppm2      3.492 CV     1
 ASSI { 2503}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.995 ppm2      3.086 CV     1
 ASSI { 2504}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.33883E-02 ppm1      4.665 ppm2      2.798 CV     1
 ASSI { 2506}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      5.200     3.400     0.800 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.50552E-03 ppm1      2.927 ppm2      1.378 CV     1
 OR { 2506}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 2507}
   (( segid "    " and resid 10   and name HG2 ))
   (  segid "    " and resid 21   and name HD1%)
      5.700     4.100     0.300 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.37931E-03 ppm1      2.264 ppm2      0.407 CV     1
 ASSI { 2508}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      6.000     4.600     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.16180E-03 ppm1      2.799 ppm2     -0.148 CV     1
 ASSI { 2511}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.31366E-02 ppm1      9.112 ppm2      9.241 CV     1
 ASSI { 2512}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.31799E-03 ppm1      9.113 ppm2      9.675 CV     1
 ASSI { 2513}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.200     3.400     0.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.77857E-03 ppm1      8.244 ppm2      9.242 CV     1
 ASSI { 2514}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      4.900     3.000     1.100 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.83187E-03 ppm1      1.738 ppm2      9.200 CV     1
 ASSI { 2516}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.200     0.600     0.600 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.32652E-01 ppm1      4.409 ppm2      8.676 CV     1
 ASSI { 2517}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 13   and name HE  ))
      4.100     2.100     1.900 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.17817E-02 ppm1      5.535 ppm2      8.644 CV     1
 ASSI { 2518}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.889 ppm2      9.096 CV     1
 ASSI { 2519}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.38172E-03 ppm1      6.901 ppm2      8.838 CV     1
 ASSI { 2521}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.300     1.800 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.81192E-03 ppm1      7.121 ppm2      7.581 CV     1
 ASSI { 2523}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.67058E-03 ppm1      2.464 ppm2      8.150 CV     1
 ASSI { 2526}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.18673E-02 ppm1      0.926 ppm2      6.981 CV     1
 ASSI { 2529}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.47216E-50 ppm1      2.793 ppm2      7.461 CV     1
 ASSI { 2535}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 48   and name HH2 ))
      4.100     2.100     1.900 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.26163E-02 ppm1      2.972 ppm2      6.504 CV     1
 OR { 2535}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 2536}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      5.500     3.800     0.500 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.82774E-03 ppm1      2.971 ppm2      6.641 CV     1
 ASSI { 2539}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     5.000     0.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.34203E-03 ppm1      4.997 ppm2      2.066 CV     1
 ASSI { 2540}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
      3.500     1.500     1.500 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.99109E-03 ppm1      2.916 ppm2      0.999 CV     1
 OR { 2540}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 ASSI { 2541}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.300     2.300     1.700 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.17745E-02 ppm1      3.475 ppm2      0.545 CV     1
 ASSI { 2544}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.600     1.600     1.600 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.29973E-02 ppm1      3.214 ppm2      0.371 CV     1
 ASSI { 2545}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
      3.200     1.300     1.300 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.83703E-02 ppm1      3.411 ppm2      0.372 CV     1
 ASSI { 2546}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      5.900     4.400     0.100 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.29409E-03 ppm1     -0.136 ppm2      8.840 CV     1
 ASSI { 2547}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      4.400     2.400     1.600 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.25523E-03 ppm1      1.017 ppm2      9.093 CV     1
 ASSI { 2549}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.49348E-02 ppm1      3.898 ppm2      8.840 CV     1
 ASSI { 2550}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      5.500     3.800     0.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.37828E-03 ppm1      2.306 ppm2      8.678 CV     1
 ASSI { 2551}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      4.600     2.600     1.400 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      2.235 ppm2      8.601 CV     1
 ASSI { 2552}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      4.900     3.000     1.100 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      2.300 ppm2      8.147 CV     1
 ASSI { 2553}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 19   and name HN  ))
      4.000     2.000     2.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.10616E-02 ppm1      1.247 ppm2      8.645 CV     1
 ASSI { 2554}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.65511E-02 ppm1      1.311 ppm2      8.072 CV     1
 ASSI { 2555}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      5.500     3.700     0.500 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.17607E-03 ppm1      0.553 ppm2      8.678 CV     1
 ASSI { 2557}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      0.792 ppm2      7.532 CV     1
 ASSI { 2559}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.23838E-02 ppm1      1.860 ppm2      7.531 CV     1
 ASSI { 2561}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.800     1.800     1.800 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.17397E-02 ppm1      2.137 ppm2      6.981 CV     1
 ASSI { 2562}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      5.600     3.900     0.400 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.55848E-03 ppm1      2.217 ppm2      6.917 CV     1
 ASSI { 2563}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.700     1.700     1.700 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.26012E-02 ppm1      2.232 ppm2      7.502 CV     1
 ASSI { 2565}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.20114E-02 ppm1      2.652 ppm2      7.581 CV     1
 OR { 2565}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2566}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      3.200     1.300     1.300 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.70601E-02 ppm1      3.346 ppm2      7.387 CV     1
 ASSI { 2569}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      3.400     1.400     1.400 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.60387E-02 ppm1      4.997 ppm2      3.790 CV     1
 ASSI { 2571}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD3 ))
      2.300     0.600     0.600 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.12690E-01 ppm1      3.932 ppm2      3.394 CV     1
 ASSI { 2572}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      5.200     3.400     0.800 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.46356E-03 ppm1      4.186 ppm2      3.457 CV     1
 ASSI { 2576}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      5.400     3.600     0.600 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.16022E-02 ppm1      5.040 ppm2      1.914 CV     1
 ASSI { 2578}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
      5.200     3.400     0.800 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.17576E-03 ppm1      3.135 ppm2      1.447 CV     1
 OR { 2578}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2579}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 33   and name HG13))
      6.000     4.600     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.25981E-03 ppm1      3.129 ppm2      1.284 CV     1
 ASSI { 2584}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
      4.500     2.600     1.500 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.37965E-03 ppm1      2.416 ppm2      0.772 CV     1
 ASSI { 2585}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      4.000     2.000     2.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.36659E-02 ppm1      2.975 ppm2      0.370 CV     1
 ASSI { 2588}
   (( segid "    " and resid 38   and name HD2 ))
   (  segid "    " and resid 40   and name HD1%)
      3.600     1.600     1.600 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.56226E-02 ppm1      3.795 ppm2      0.916 CV     1
 ASSI { 2589}
   (( segid "    " and resid 41   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
      4.000     2.000     2.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.47044E-03 ppm1      3.796 ppm2      0.696 CV     1
 ASSI { 2590}
   (( segid "    " and resid 18   and name HA2 ))
   (  segid "    " and resid 21   and name HD1%)
      3.400     1.400     1.400 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.43605E-02 ppm1      3.912 ppm2      0.404 CV     1
 ASSI { 2591}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      5.200     3.400     0.800 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.74177E-03 ppm1      4.180 ppm2      0.407 CV     1
 ASSI { 2593}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.600     1.600     1.600 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.26087E-02 ppm1      4.433 ppm2      0.832 CV     1
 ASSI { 2594}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      5.300     3.500     0.700 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.88483E-03 ppm1      4.188 ppm2     -0.152 CV     1
 ASSI { 2595}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     5.200     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.15750E-03 ppm1      2.423 ppm2     -0.632 CV     1
 ASSI { 2596}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.54644E-03 ppm1      6.895 ppm2      9.338 CV     1
 ASSI { 2597}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.67334E-02 ppm1      3.342 ppm2      8.605 CV     1
 OR { 2597}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2598}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      5.700     4.000     0.300 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.42608E-03 ppm1      5.538 ppm2      8.275 CV     1
 ASSI { 2600}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      5.700     4.000     0.300 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.48454E-03 ppm1      0.559 ppm2      7.401 CV     1
 ASSI { 2601}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 11   and name HD% )
      4.000     2.000     2.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.42333E-03 ppm1      0.419 ppm2      6.915 CV     1
 ASSI { 2602}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.48626E-02 ppm1      0.419 ppm2      6.687 CV     1
 ASSI { 2604}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.600     1.400 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.84631E-03 ppm1      3.332 ppm2      6.687 CV     1
 ASSI { 2606}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 49   and name HD2%)
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.239 ppm2      0.736 CV     1
 OR { 2606}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 2607}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HG13))
      4.300     2.300     1.700 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.30156E-03 ppm1      3.671 ppm2      1.072 CV     1
 ASSI { 2608}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.200     2.200     1.800 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.35833E-03 ppm1      3.673 ppm2      0.632 CV     1
 ASSI { 2609}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 22   and name HD2%)
      3.500     1.500     1.500 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.51721E-02 ppm1      0.915 ppm2     -0.633 CV     1
 ASSI { 2610}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 11   and name HE% )
      5.200     3.400     0.800 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.36899E-03 ppm1      2.642 ppm2      7.282 CV     1
 OR { 2610}
   (( segid "    " and resid 9    and name HG3 ))
   (  segid "    " and resid 11   and name HE% )
 ASSI { 2611}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.475 ppm2      7.631 CV     1
 ASSI { 2612}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     6.000     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.16434E-03 ppm1      4.447 ppm2      7.136 CV     1
 ASSI { 2613}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.290 ppm2      8.266 CV     1
 ASSI { 2614}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.600     0.000 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.26913E-03 ppm1      2.999 ppm2      8.841 CV     1
 ASSI { 2615}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.12672E-01 ppm1      1.831 ppm2      8.278 CV     1
 ASSI { 2616}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.341 ppm2      1.807 CV     1
 ASSI { 2617}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.887 ppm2      1.807 CV     1
 ASSI { 2619}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      2.800     1.000     1.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.11785E-01 ppm1      1.834 ppm2     -0.150 CV     1
 ASSI { 2620}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.904 ppm2      8.260 CV     1
 ASSI { 2624}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      8.150 CV     1
 ASSI { 2625}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HG12))
      6.000     6.000     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.54403E-04 ppm1      3.410 ppm2      1.585 CV     1
 ASSI { 2627}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.890 ppm2      9.088 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -15.550  12.541  -2.770
    2   2H    GLY   1          2H        GLY   1 -16.410  11.243  -2.103
    3   3H    GLY   1          3H        GLY   1 -15.579  12.320  -1.093
    4   1HA   GLY   1          2HA       GLY   1 -17.408  13.721  -2.747
    5   2HA   GLY   1          1HA       GLY   1 -18.224  12.460  -1.831
    6    HA   PRO   2           HA       PRO   2 -17.666  16.326   0.812
    7   1HB   PRO   2          2HB       PRO   2 -20.291  16.389   1.613
    8   2HB   PRO   2          1HB       PRO   2 -19.654  17.292   0.235
    9   1HG   PRO   2          2HG       PRO   2 -21.132  14.696   0.282
   10   2HG   PRO   2          1HG       PRO   2 -21.291  16.059  -0.841
   11   1HD   PRO   2          2HD       PRO   2 -19.936  13.824  -1.491
   12   2HD   PRO   2          1HD       PRO   2 -19.441  15.428  -2.069
   13    H    LEU   3           H        LEU   3 -17.138  16.098   2.891
   14    HA   LEU   3           HA       LEU   3 -16.797  15.201   4.948
   15   1HB   LEU   3          2HB       LEU   3 -19.457  13.851   4.490
   16   2HB   LEU   3          1HB       LEU   3 -18.622  13.964   6.027
   17    HG   LEU   3           HG       LEU   3 -18.959  16.597   4.937
   18   1HD1  LEU   3          1HD1      LEU   3 -21.201  16.785   4.526
   19   2HD1  LEU   3          2HD1      LEU   3 -20.906  15.171   3.876
   20   3HD1  LEU   3          3HD1      LEU   3 -21.609  15.358   5.481
   21   1HD2  LEU   3          1HD2      LEU   3 -20.387  16.730   7.083
   22   2HD2  LEU   3          2HD2      LEU   3 -19.805  15.093   7.380
   23   3HD2  LEU   3          3HD2      LEU   3 -18.657  16.424   7.229
   24    H    GLY   4           H        GLY   4 -16.036  13.755   2.425
   25   1HA   GLY   4          1HA       GLY   4 -15.046  11.379   3.685
   26   2HA   GLY   4          2HA       GLY   4 -16.336  11.039   2.540
   27    H    SER   5           H        SER   5 -13.142  12.490   2.881
   28    HA   SER   5           HA       SER   5 -12.672  12.749   0.081
   29   1HB   SER   5          2HB       SER   5 -10.248  12.456   1.620
   30   2HB   SER   5          1HB       SER   5 -10.888  13.899   0.834
   31    HG   SER   5           HG       SER   5 -10.751  13.393   3.427
   32    H    ASP   6           H        ASP   6 -11.545  10.490   2.562
   33    HA   ASP   6           HA       ASP   6 -12.020   8.205   1.031
   34   1HB   ASP   6          2HB       ASP   6  -9.747   9.320   0.083
   35   2HB   ASP   6          1HB       ASP   6  -9.076   8.352   1.392
   36    H    HIS   7           H        HIS   7 -10.294   6.375   2.171
   37    HA   HIS   7           HA       HIS   7 -10.870   6.784   5.027
   38   1HB   HIS   7          2HB       HIS   7 -10.851   4.373   5.292
   39   2HB   HIS   7          1HB       HIS   7 -11.958   4.810   4.000
   40    HD2  HIS   7           2HD      HIS   7  -8.530   3.012   4.495
   41    HE1  HIS   7           1HE      HIS   7  -9.979   2.230   0.601
   42    HE2  HIS   7           2HE      HIS   7  -8.364   1.485   2.405
   43    H    HIS   8           H        HIS   8  -9.305   5.859   6.566
   44    HA   HIS   8           HA       HIS   8  -7.242   5.794   7.495
   45   1HB   HIS   8          2HB       HIS   8  -6.561   4.914   4.698
   46   2HB   HIS   8          1HB       HIS   8  -5.316   5.102   5.928
   47    HD2  HIS   8           2HD      HIS   8  -6.051   2.170   4.658
   48    HE1  HIS   8           1HE      HIS   8  -7.659   1.477   8.508
   49    HE2  HIS   8           2HE      HIS   8  -6.625   0.403   6.457
   50    H    MET   9           H        MET   9  -4.929   6.553   5.406
   51    HA   MET   9           HA       MET   9  -4.971   9.364   6.145
   52   1HB   MET   9          2HB       MET   9  -2.906   7.578   4.874
   53   2HB   MET   9          1HB       MET   9  -2.705   9.325   4.934
   54   1HG   MET   9          2HG       MET   9  -3.107   9.062   7.465
   55   2HG   MET   9          1HG       MET   9  -2.759   7.358   7.180
   56   1HE   MET   9          1HE       MET   9  -1.409  10.321   8.535
   57   2HE   MET   9          2HE       MET   9   0.181  10.643   7.842
   58   3HE   MET   9          3HE       MET   9  -1.277  11.049   6.935
   59    H    GLU  10           H        GLU  10  -5.482  10.985   4.810
   60    HA   GLU  10           HA       GLU  10  -6.662  10.356   2.291
   61   1HB   GLU  10          2HB       GLU  10  -6.834  12.894   2.095
   62   2HB   GLU  10          1HB       GLU  10  -7.671  12.140   3.443
   63   1HG   GLU  10          2HG       GLU  10  -4.915  13.073   3.934
   64   2HG   GLU  10          1HG       GLU  10  -6.151  14.308   3.705
   65    H    PHE  11           H        PHE  11  -3.490  10.958   3.245
   66    HA   PHE  11           HA       PHE  11  -2.701  11.169   0.439
   67   1HB   PHE  11          2HB       PHE  11  -0.798  12.660   1.070
   68   2HB   PHE  11          1HB       PHE  11  -2.366  13.427   1.240
   69    HD1  PHE  11           1HD      PHE  11  -3.255  13.962   3.436
   70    HD2  PHE  11           2HD      PHE  11   0.557  12.136   2.983
   71    HE1  PHE  11           1HE      PHE  11  -2.717  14.513   5.773
   72    HE2  PHE  11           2HE      PHE  11   1.105  12.688   5.316
   73    HZ   PHE  11           HZ       PHE  11  -0.534  13.877   6.713
   74    H    CYS  12           H        CYS  12  -0.245  10.768   0.331
   75    HA   CYS  12           HA       CYS  12   0.314   8.228   1.544
   76   1HB   CYS  12          2HB       CYS  12   1.029   9.355  -0.766
   77   2HB   CYS  12          1HB       CYS  12   2.411   9.845   0.195
   78    HG   CYS  12           HG       CYS  12   2.663   7.465  -1.494
   79    H    ARG  13           H        ARG  13   1.376   7.904   3.424
   80    HA   ARG  13           HA       ARG  13   2.168  10.055   5.087
   81   1HB   ARG  13          2HB       ARG  13   1.496   7.633   5.707
   82   2HB   ARG  13          1HB       ARG  13   3.189   7.253   5.424
   83   1HG   ARG  13          2HG       ARG  13   3.548   9.298   7.056
   84   2HG   ARG  13          1HG       ARG  13   1.931   8.834   7.592
   85   1HD   ARG  13          2HD       ARG  13   4.365   7.059   7.471
   86   2HD   ARG  13          1HD       ARG  13   3.618   7.709   8.930
   87    HE   ARG  13           HE       ARG  13   1.934   6.051   7.214
   88   1HH1  ARG  13          2HH1      ARG  13   3.966   6.253  10.065
   89   2HH1  ARG  13          1HH1      ARG  13   3.260   4.860  10.833
   90   1HH2  ARG  13          2HH2      ARG  13   0.994   4.236   8.212
   91   2HH2  ARG  13          1HH2      ARG  13   1.560   3.699   9.761
   92    H    VAL  14           H        VAL  14   3.738   8.435   2.549
   93    HA   VAL  14           HA       VAL  14   6.400   9.194   3.470
   94    HB   VAL  14           HB       VAL  14   5.581   7.526   1.081
   95   1HG1  VAL  14          1HG1      VAL  14   8.322   7.722   2.303
   96   2HG1  VAL  14          2HG1      VAL  14   7.857   7.006   0.761
   97   3HG1  VAL  14          3HG1      VAL  14   7.809   8.757   0.970
   98   1HG2  VAL  14          1HG2      VAL  14   5.416   6.840   3.719
   99   2HG2  VAL  14          2HG2      VAL  14   5.613   5.707   2.381
  100   3HG2  VAL  14          3HG2      VAL  14   7.025   6.261   3.283
  101    H    CYS  15           H        CYS  15   4.663   9.337   0.351
  102    HA   CYS  15           HA       CYS  15   6.359  11.576  -0.387
  103   1HB   CYS  15          2HB       CYS  15   5.921  11.023  -2.622
  104   2HB   CYS  15          1HB       CYS  15   6.005   9.469  -1.802
  105    H    LYS  16           H        LYS  16   3.343  11.222   0.936
  106    HA   LYS  16           HA       LYS  16   1.657  12.638   1.376
  107   1HB   LYS  16          2HB       LYS  16   3.529  14.587   0.064
  108   2HB   LYS  16          1HB       LYS  16   1.941  15.074   0.643
  109   1HG   LYS  16          2HG       LYS  16   2.628  15.143   2.759
  110   2HG   LYS  16          1HG       LYS  16   3.438  13.581   2.635
  111   1HD   LYS  16          2HD       LYS  16   4.686  15.919   1.289
  112   2HD   LYS  16          1HD       LYS  16   4.782  15.823   3.048
  113   1HE   LYS  16          2HE       LYS  16   5.881  13.707   2.948
  114   2HE   LYS  16          1HE       LYS  16   5.601  13.582   1.213
  115   1HZ   LYS  16          1HZ       LYS  16   7.436  15.422   2.628
  116   2HZ   LYS  16          2HZ       LYS  16   6.995  15.649   1.006
  117   3HZ   LYS  16          3HZ       LYS  16   7.823  14.244   1.470
  118    H    ASP  17           H        ASP  17   2.267  11.456  -1.563
  119    HA   ASP  17           HA       ASP  17   0.307  12.960  -3.056
  120   1HB   ASP  17          2HB       ASP  17   2.221  12.007  -4.237
  121   2HB   ASP  17          1HB       ASP  17   1.733  10.390  -3.742
  122    H    GLY  18           H        GLY  18  -1.801  12.485  -3.335
  123   1HA   GLY  18          1HA       GLY  18  -2.790  10.109  -1.891
  124   2HA   GLY  18          2HA       GLY  18  -3.681  11.616  -2.071
  125    H    GLY  19           H        GLY  19  -1.925  10.062  -4.687
  126   1HA   GLY  19          1HA       GLY  19  -4.399   9.926  -6.206
  127   2HA   GLY  19          2HA       GLY  19  -2.780   9.619  -6.814
  128    H    GLU  20           H        GLU  20  -1.915   7.581  -6.698
  129    HA   GLU  20           HA       GLU  20  -3.811   5.401  -6.465
  130   1HB   GLU  20          2HB       GLU  20  -1.760   5.771  -8.123
  131   2HB   GLU  20          1HB       GLU  20  -0.882   4.959  -6.836
  132   1HG   GLU  20          2HG       GLU  20  -2.054   2.979  -7.113
  133   2HG   GLU  20          1HG       GLU  20  -3.386   3.772  -7.952
  134    H    LEU  21           H        LEU  21  -4.061   6.070  -4.096
  135    HA   LEU  21           HA       LEU  21  -1.884   5.548  -2.346
  136   1HB   LEU  21          2HB       LEU  21  -4.734   6.306  -2.030
  137   2HB   LEU  21          1HB       LEU  21  -3.947   5.569  -0.648
  138    HG   LEU  21           HG       LEU  21  -2.972   8.049  -2.066
  139   1HD1  LEU  21          1HD1      LEU  21  -4.908   7.616   0.078
  140   2HD1  LEU  21          2HD1      LEU  21  -3.638   8.774   0.472
  141   3HD1  LEU  21          3HD1      LEU  21  -4.645   9.023  -0.952
  142   1HD2  LEU  21          1HD2      LEU  21  -1.179   8.080  -0.701
  143   2HD2  LEU  21          2HD2      LEU  21  -2.061   7.362   0.648
  144   3HD2  LEU  21          3HD2      LEU  21  -1.451   6.338  -0.652
  145    H    LEU  22           H        LEU  22  -1.161   3.714  -1.716
  146    HA   LEU  22           HA       LEU  22  -2.856   1.322  -1.833
  147   1HB   LEU  22          2HB       LEU  22  -0.334   1.745  -2.760
  148   2HB   LEU  22          1HB       LEU  22   0.013   1.083  -1.173
  149    HG   LEU  22           HG       LEU  22  -1.427  -0.885  -1.763
  150   1HD1  LEU  22          1HD1      LEU  22  -2.688  -0.837  -3.587
  151   2HD1  LEU  22          2HD1      LEU  22  -2.057   0.759  -3.992
  152   3HD1  LEU  22          3HD1      LEU  22  -1.244  -0.688  -4.587
  153   1HD2  LEU  22          1HD2      LEU  22   0.336  -1.576  -3.662
  154   2HD2  LEU  22          2HD2      LEU  22   1.156  -0.164  -2.996
  155   3HD2  LEU  22          3HD2      LEU  22   0.735  -1.515  -1.945
  156    H    CYS  23           H        CYS  23  -4.004   1.448   0.055
  157    HA   CYS  23           HA       CYS  23  -2.516   1.835   2.544
  158   1HB   CYS  23          2HB       CYS  23  -5.385   1.688   2.853
  159   2HB   CYS  23          1HB       CYS  23  -4.292   3.017   3.228
  160    HG   CYS  23           HG       CYS  23  -5.558   4.490   1.530
  161    H    CYS  24           H        CYS  24  -2.607   0.386   4.239
  162    HA   CYS  24           HA       CYS  24  -2.924  -2.346   3.646
  163   1HB   CYS  24          2HB       CYS  24  -1.447  -1.622   5.442
  164   2HB   CYS  24          1HB       CYS  24  -2.793  -0.910   6.317
  165    H    ASP  25           H        ASP  25  -4.512  -3.811   4.350
  166    HA   ASP  25           HA       ASP  25  -7.192  -2.813   4.247
  167   1HB   ASP  25          2HB       ASP  25  -6.573  -5.009   3.295
  168   2HB   ASP  25          1HB       ASP  25  -6.182  -5.593   4.909
  169    H    THR  26           H        THR  26  -4.917  -3.139   6.706
  170    HA   THR  26           HA       THR  26  -7.058  -3.080   8.733
  171    HB   THR  26           HB       THR  26  -4.493  -3.734   9.868
  172    HG1  THR  26           1HG      THR  26  -4.513  -4.671   7.547
  173   1HG2  THR  26          1HG2      THR  26  -5.724  -5.496  10.900
  174   2HG2  THR  26          2HG2      THR  26  -6.981  -5.422   9.665
  175   3HG2  THR  26          3HG2      THR  26  -6.794  -4.096  10.813
  176    H    CYS  27           H        CYS  27  -3.679  -2.085   8.218
  177    HA   CYS  27           HA       CYS  27  -3.970   0.021  10.174
  178   1HB   CYS  27          2HB       CYS  27  -1.520  -0.402   8.503
  179   2HB   CYS  27          1HB       CYS  27  -1.650   0.145  10.173
  180    HA   PRO  28           HA       PRO  28  -4.644   3.311   7.299
  181   1HB   PRO  28          2HB       PRO  28  -3.652   5.405   8.678
  182   2HB   PRO  28          1HB       PRO  28  -5.131   4.572   9.173
  183   1HG   PRO  28          2HG       PRO  28  -2.346   4.279  10.231
  184   2HG   PRO  28          1HG       PRO  28  -3.874   4.380  11.124
  185   1HD   PRO  28          2HD       PRO  28  -2.596   2.029  10.610
  186   2HD   PRO  28          1HD       PRO  28  -4.356   2.160  10.793
  187    H    SER  29           H        SER  29  -2.249   1.757   6.826
  188    HA   SER  29           HA       SER  29  -0.096   3.622   6.380
  189   1HB   SER  29          2HB       SER  29  -0.096   0.850   5.264
  190   2HB   SER  29          1HB       SER  29   1.227   1.772   5.979
  191    HG   SER  29           HG       SER  29  -0.370  -0.011   7.144
  192    H    SER  30           H        SER  30  -1.638   4.918   4.959
  193    HA   SER  30           HA       SER  30  -2.128   3.921   2.315
  194   1HB   SER  30          2HB       SER  30  -2.163   6.809   3.202
  195   2HB   SER  30          1HB       SER  30  -3.047   6.075   1.862
  196    HG   SER  30           HG       SER  30  -4.591   5.719   3.225
  197    H    TYR  31           H        TYR  31  -0.256   3.323   1.358
  198    HA   TYR  31           HA       TYR  31   1.877   5.343   1.154
  199   1HB   TYR  31          2HB       TYR  31   1.993   2.317   1.121
  200   2HB   TYR  31          1HB       TYR  31   3.371   3.347   0.765
  201    HD1  TYR  31           1HD      TYR  31   2.850   5.444   2.925
  202    HD2  TYR  31           2HD      TYR  31   2.836   1.193   2.995
  203    HE1  TYR  31           1HE      TYR  31   3.482   5.482   5.301
  204    HE2  TYR  31           2HE      TYR  31   3.459   1.220   5.371
  205    HH   TYR  31           HH       TYR  31   4.596   3.986   6.942
  206    H    HIS  32           H        HIS  32   3.174   3.470  -0.807
  207    HA   HIS  32           HA       HIS  32   1.429   3.470  -3.124
  208   1HB   HIS  32          2HB       HIS  32   3.873   5.153  -2.890
  209   2HB   HIS  32          1HB       HIS  32   3.677   4.254  -4.388
  210    HD2  HIS  32           2HD      HIS  32   1.054   4.815  -5.628
  211    HE1  HIS  32           1HE      HIS  32   1.141   8.756  -4.099
  212    HE2  HIS  32           2HE      HIS  32   0.231   7.259  -5.934
  213    H    ILE  33           H        ILE  33   3.170   2.503  -5.005
  214    HA   ILE  33           HA       ILE  33   3.962  -0.029  -3.824
  215    HB   ILE  33           HB       ILE  33   4.587  -0.700  -6.118
  216   1HG1  ILE  33          2HG1      ILE  33   3.374   1.894  -7.059
  217   1HG2  ILE  33          1HG2      ILE  33   2.337  -0.860  -6.962
  218   2HG2  ILE  33          2HG2      ILE  33   2.323  -1.045  -5.208
  219   3HG2  ILE  33          3HG2      ILE  33   1.823   0.481  -5.938
  220   1HD1  ILE  33          1HD1      ILE  33   3.342   0.237  -8.758
  221   2HD1  ILE  33          2HD1      ILE  33   4.657   1.355  -9.124
  222   3HD1  ILE  33          3HD1      ILE  33   5.011  -0.225  -8.421
  223    H    HIS  34           H        HIS  34   5.368   2.972  -4.373
  224    HA   HIS  34           HA       HIS  34   8.031   1.796  -3.979
  225   1HB   HIS  34          2HB       HIS  34   9.013   3.713  -5.212
  226   2HB   HIS  34          1HB       HIS  34   8.017   2.672  -6.217
  227    HD2  HIS  34           2HD      HIS  34   6.128   5.341  -4.152
  228    HE1  HIS  34           1HE      HIS  34   6.386   6.665  -8.163
  229    HE2  HIS  34           2HE      HIS  34   5.505   7.211  -5.844
  230    H    CYS  35           H        CYS  35   5.812   3.072  -2.240
  231    HA   CYS  35           HA       CYS  35   7.585   4.981  -0.880
  232   1HB   CYS  35          2HB       CYS  35   4.561   4.868  -0.797
  233   2HB   CYS  35          1HB       CYS  35   5.557   5.972   0.131
  234    H    LEU  36           H        LEU  36   7.716   2.167  -0.677
  235    HA   LEU  36           HA       LEU  36   7.397   1.932   2.225
  236   1HB   LEU  36          2HB       LEU  36   7.188  -0.661   0.987
  237   2HB   LEU  36          1HB       LEU  36   6.114   0.105   2.142
  238    HG   LEU  36           HG       LEU  36   5.644   1.301  -0.391
  239   1HD1  LEU  36          1HD1      LEU  36   4.952  -1.523  -0.750
  240   2HD1  LEU  36          2HD1      LEU  36   5.529  -0.333  -1.917
  241   3HD1  LEU  36          3HD1      LEU  36   6.676  -1.169  -0.871
  242   1HD2  LEU  36          1HD2      LEU  36   3.966   1.209   1.279
  243   2HD2  LEU  36          2HD2      LEU  36   3.408   0.198  -0.053
  244   3HD2  LEU  36          3HD2      LEU  36   4.081  -0.547   1.397
  245    H    ASN  37           H        ASN  37   8.678  -0.383   2.723
  246    HA   ASN  37           HA       ASN  37  11.381   0.177   1.878
  247   1HB   ASN  37          2HB       ASN  37  10.580  -0.694   4.213
  248   2HB   ASN  37          1HB       ASN  37  10.650  -2.275   3.441
  249   1HD2  ASN  37          1HD2      ASN  37  12.270  -2.488   5.252
  250   2HD2  ASN  37          2HD2      ASN  37  13.916  -2.064   4.886
  251    HA   PRO  38           HA       PRO  38  10.912  -3.836  -0.594
  252   1HB   PRO  38          2HB       PRO  38   8.736  -5.392  -0.402
  253   2HB   PRO  38          1HB       PRO  38  10.035  -5.470   0.792
  254   1HG   PRO  38          2HG       PRO  38   7.343  -4.253   1.008
  255   2HG   PRO  38          1HG       PRO  38   8.355  -4.977   2.266
  256   1HD   PRO  38          2HD       PRO  38   8.032  -2.224   1.695
  257   2HD   PRO  38          1HD       PRO  38   9.196  -2.954   2.817
  258    HA   PRO  39           HA       PRO  39   8.390  -1.271  -3.355
  259   1HB   PRO  39          2HB       PRO  39  10.343  -2.012  -5.400
  260   2HB   PRO  39          1HB       PRO  39   9.972  -0.418  -4.737
  261   1HG   PRO  39          2HG       PRO  39  12.297  -1.686  -4.220
  262   2HG   PRO  39          1HG       PRO  39  11.515  -0.618  -3.039
  263   1HD   PRO  39          2HD       PRO  39  11.503  -3.614  -3.184
  264   2HD   PRO  39          1HD       PRO  39  11.700  -2.556  -1.770
  265    H    LEU  40           H        LEU  40   6.701  -1.873  -4.521
  266    HA   LEU  40           HA       LEU  40   6.662  -4.573  -5.676
  267   1HB   LEU  40          2HB       LEU  40   4.239  -2.831  -5.491
  268   2HB   LEU  40          1HB       LEU  40   4.349  -4.580  -5.488
  269    HG   LEU  40           HG       LEU  40   5.260  -2.859  -3.183
  270   1HD1  LEU  40          1HD1      LEU  40   3.117  -2.520  -2.713
  271   2HD1  LEU  40          2HD1      LEU  40   2.593  -3.569  -4.031
  272   3HD1  LEU  40          3HD1      LEU  40   2.968  -4.258  -2.451
  273   1HD2  LEU  40          1HD2      LEU  40   5.296  -4.896  -1.938
  274   2HD2  LEU  40          2HD2      LEU  40   4.581  -5.795  -3.277
  275   3HD2  LEU  40          3HD2      LEU  40   6.221  -5.160  -3.415
  276    HA   PRO  41           HA       PRO  41   7.094  -2.693  -9.626
  277   1HB   PRO  41          2HB       PRO  41   6.374  -4.804 -11.192
  278   2HB   PRO  41          1HB       PRO  41   7.932  -4.694 -10.366
  279   1HG   PRO  41          2HG       PRO  41   5.478  -6.209  -9.601
  280   2HG   PRO  41          1HG       PRO  41   7.178  -6.693  -9.477
  281   1HD   PRO  41          2HD       PRO  41   5.715  -5.806  -7.361
  282   2HD   PRO  41          1HD       PRO  41   7.470  -5.585  -7.486
  283    H    GLU  42           H        GLU  42   4.079  -4.098  -8.613
  284    HA   GLU  42           HA       GLU  42   2.639  -2.215 -10.320
  285   1HB   GLU  42          2HB       GLU  42   2.669  -5.110 -10.664
  286   2HB   GLU  42          1HB       GLU  42   1.044  -4.493 -10.400
  287   1HG   GLU  42          2HG       GLU  42   1.693  -2.767 -12.231
  288   2HG   GLU  42          1HG       GLU  42   2.932  -3.952 -12.642
  289    H    ILE  43           H        ILE  43   0.283  -2.120  -9.672
  290    HA   ILE  43           HA       ILE  43   0.108  -2.114  -6.774
  291    HB   ILE  43           HB       ILE  43  -2.285  -1.264  -7.308
  292   1HG1  ILE  43          2HG1      ILE  43  -1.131  -0.334  -9.894
  293   1HG2  ILE  43          1HG2      ILE  43  -0.972   0.979  -8.164
  294   2HG2  ILE  43          2HG2      ILE  43  -1.167   0.474  -6.486
  295   3HG2  ILE  43          3HG2      ILE  43   0.306   0.062  -7.364
  296   1HD1  ILE  43          1HD1      ILE  43  -3.905  -1.269  -9.703
  297   2HD1  ILE  43          2HD1      ILE  43  -3.500   0.130  -8.708
  298   3HD1  ILE  43          3HD1      ILE  43  -3.238   0.181 -10.453
  299    HA   PRO  44           HA       PRO  44  -1.765  -6.146  -6.597
  300   1HB   PRO  44          2HB       PRO  44  -2.743  -5.259  -3.959
  301   2HB   PRO  44          1HB       PRO  44  -1.679  -6.608  -4.364
  302   1HG   PRO  44          2HG       PRO  44  -0.752  -4.407  -3.151
  303   2HG   PRO  44          1HG       PRO  44   0.217  -5.292  -4.341
  304   1HD   PRO  44          2HD       PRO  44  -1.334  -2.755  -4.670
  305   2HD   PRO  44          1HD       PRO  44   0.269  -3.188  -5.303
  306    H    ASN  45           H        ASN  45  -3.591  -6.559  -7.657
  307    HA   ASN  45           HA       ASN  45  -5.807  -4.715  -7.585
  308   1HB   ASN  45          2HB       ASN  45  -4.860  -6.322  -9.527
  309   2HB   ASN  45          1HB       ASN  45  -6.134  -7.357  -8.889
  310   1HD2  ASN  45          1HD2      ASN  45  -5.836  -5.903 -11.448
  311   2HD2  ASN  45          2HD2      ASN  45  -7.272  -4.949 -11.600
  312    H    GLY  46           H        GLY  46  -6.396  -4.879  -5.371
  313   1HA   GLY  46          1HA       GLY  46  -8.617  -6.136  -4.669
  314   2HA   GLY  46          2HA       GLY  46  -7.453  -7.437  -4.455
  315    H    GLU  47           H        GLU  47  -7.374  -7.658  -2.298
  316    HA   GLU  47           HA       GLU  47  -7.038  -5.257  -0.657
  317   1HB   GLU  47          2HB       GLU  47  -8.396  -7.688  -0.255
  318   2HB   GLU  47          1HB       GLU  47  -7.026  -7.706   0.848
  319   1HG   GLU  47          2HG       GLU  47  -8.170  -6.437   2.230
  320   2HG   GLU  47          1HG       GLU  47  -8.130  -5.143   1.031
  321    H    TRP  48           H        TRP  48  -5.154  -4.741   0.277
  322    HA   TRP  48           HA       TRP  48  -2.997  -6.727   0.255
  323   1HB   TRP  48          2HB       TRP  48  -2.492  -5.518  -1.696
  324   2HB   TRP  48          1HB       TRP  48  -3.058  -4.000  -1.015
  325    HD1  TRP  48           HD       TRP  48   0.021  -6.213  -1.257
  326    HE1  TRP  48           1HE      TRP  48   2.056  -4.900  -0.392
  327    HE3  TRP  48           3HE      TRP  48  -2.404  -2.159   0.675
  328    HZ2  TRP  48           2HZ      TRP  48   2.560  -2.459   0.950
  329    HZ3  TRP  48           3HZ      TRP  48  -1.086  -0.388   1.727
  330    HH2  TRP  48           HH       TRP  48   1.339  -0.527   1.875
  331    H    LEU  49           H        LEU  49  -1.978  -6.805   2.165
  332    HA   LEU  49           HA       LEU  49  -2.650  -4.783   4.154
  333   1HB   LEU  49          2HB       LEU  49  -1.492  -7.542   4.278
  334   2HB   LEU  49          1HB       LEU  49  -1.236  -6.439   5.614
  335    HG   LEU  49           HG       LEU  49  -3.826  -6.158   5.557
  336   1HD1  LEU  49          1HD1      LEU  49  -3.482  -8.041   3.485
  337   2HD1  LEU  49          2HD1      LEU  49  -4.242  -8.883   4.837
  338   3HD1  LEU  49          3HD1      LEU  49  -4.990  -7.432   4.170
  339   1HD2  LEU  49          1HD2      LEU  49  -3.743  -8.648   6.718
  340   2HD2  LEU  49          2HD2      LEU  49  -2.068  -8.105   6.805
  341   3HD2  LEU  49          3HD2      LEU  49  -3.350  -7.121   7.509
  342    H    CYS  50           H        CYS  50  -1.127  -3.596   5.264
  343    HA   CYS  50           HA       CYS  50   0.801  -2.417   3.741
  344   1HB   CYS  50          2HB       CYS  50   1.511  -1.255   5.720
  345   2HB   CYS  50          1HB       CYS  50  -0.228  -1.492   5.817
  346    HA   PRO  51           HA       PRO  51   4.509  -4.784   3.825
  347   1HB   PRO  51          2HB       PRO  51   6.437  -2.899   4.113
  348   2HB   PRO  51          1HB       PRO  51   5.510  -3.101   2.621
  349   1HG   PRO  51          2HG       PRO  51   5.118  -1.133   4.846
  350   2HG   PRO  51          1HG       PRO  51   5.076  -0.863   3.093
  351   1HD   PRO  51          2HD       PRO  51   2.830  -1.118   4.563
  352   2HD   PRO  51          1HD       PRO  51   2.933  -1.698   2.888
  353    H    ARG  52           H        ARG  52   3.260  -3.627   6.557
  354    HA   ARG  52           HA       ARG  52   5.542  -4.520   8.179
  355   1HB   ARG  52          2HB       ARG  52   5.253  -2.758   9.522
  356   2HB   ARG  52          1HB       ARG  52   4.062  -2.145   8.390
  357   1HG   ARG  52          2HG       ARG  52   2.416  -3.678   9.702
  358   2HG   ARG  52          1HG       ARG  52   3.655  -3.599  10.958
  359   1HD   ARG  52          2HD       ARG  52   1.815  -1.868  11.080
  360   2HD   ARG  52          1HD       ARG  52   3.470  -1.261  11.141
  361    HE   ARG  52           HE       ARG  52   1.680  -1.121   8.798
  362   1HH1  ARG  52          2HH1      ARG  52   4.536  -0.057  10.518
  363   2HH1  ARG  52          1HH1      ARG  52   4.787   1.335   9.508
  364   1HH2  ARG  52          2HH2      ARG  52   1.986   0.719   7.480
  365   2HH2  ARG  52          1HH2      ARG  52   3.320   1.792   7.783
  366    H    CYS  53           H        CYS  53   2.219  -4.954   7.351
  367    HA   CYS  53           HA       CYS  53   1.508  -6.708   9.482
  368   1HB   CYS  53          2HB       CYS  53   0.345  -5.859   6.896
  369   2HB   CYS  53          1HB       CYS  53  -0.174  -7.428   7.506
  370    H    THR  54           H        THR  54   3.515  -6.998   6.804
  371    HA   THR  54           HA       THR  54   3.182  -9.757   6.197
  372    HB   THR  54           HB       THR  54   5.714  -9.162   5.380
  373    HG1  THR  54           1HG      THR  54   5.746  -6.980   4.810
  374   1HG2  THR  54          1HG2      THR  54   4.810  -8.947   3.244
  375   2HG2  THR  54          2HG2      THR  54   3.365  -8.126   3.838
  376   3HG2  THR  54          3HG2      THR  54   3.569  -9.858   4.110
  377    H    CYS  55           H        CYS  55   4.534  -8.172   8.840
  378    HA   CYS  55           HA       CYS  55   5.906 -10.597   9.703
  379   1HB   CYS  55          2HB       CYS  55   7.879  -9.128  10.409
  380   2HB   CYS  55          1HB       CYS  55   7.726  -9.458   8.684
  381    HG   CYS  55           HG       CYS  55   6.073  -6.708   9.380
  382    HA   PRO  56           HA       PRO  56   4.287  -9.313  13.625
  383   1HB   PRO  56          2HB       PRO  56   6.440 -10.578  15.094
  384   2HB   PRO  56          1HB       PRO  56   4.790 -11.151  14.847
  385   1HG   PRO  56          2HG       PRO  56   6.985 -12.352  13.759
  386   2HG   PRO  56          1HG       PRO  56   5.368 -12.424  13.037
  387   1HD   PRO  56          2HD       PRO  56   7.693 -10.679  12.314
  388   2HD   PRO  56          1HD       PRO  56   6.542 -11.523  11.254
  389    H    ALA  57           H        ALA  57   5.868  -7.285  12.479
  390    HA   ALA  57           HA       ALA  57   6.657  -5.828  14.815
  391   1HB   ALA  57          1HB       ALA  57   8.669  -7.291  14.224
  392   2HB   ALA  57          2HB       ALA  57   8.842  -6.267  12.797
  393   3HB   ALA  57          3HB       ALA  57   8.957  -5.560  14.408
  394    H    LEU  58           H        LEU  58   8.213  -3.877  13.573
  395    HA   LEU  58           HA       LEU  58   8.134  -2.008  12.312
  396   1HB   LEU  58          2HB       LEU  58   7.548  -4.098  10.560
  397   2HB   LEU  58          1HB       LEU  58   6.345  -2.871  10.211
  398    HG   LEU  58           HG       LEU  58   9.113  -1.874  10.417
  399   1HD1  LEU  58          1HD1      LEU  58   8.259  -3.821   8.294
  400   2HD1  LEU  58          2HD1      LEU  58   9.543  -2.637   8.043
  401   3HD1  LEU  58          3HD1      LEU  58   9.708  -3.862   9.301
  402   1HD2  LEU  58          1HD2      LEU  58   7.730  -1.300   7.984
  403   2HD2  LEU  58          2HD2      LEU  58   6.643  -1.063   9.352
  404   3HD2  LEU  58          3HD2      LEU  58   8.185  -0.210   9.292
  405    H    LYS  59           H        LYS  59   5.777  -2.888  14.142
  406    HA   LYS  59           HA       LYS  59   3.660  -1.197  13.079
  407   1HB   LYS  59          2HB       LYS  59   3.826  -3.321  15.032
  408   2HB   LYS  59          1HB       LYS  59   3.008  -1.920  15.709
  409   1HG   LYS  59          2HG       LYS  59   2.191  -2.828  13.005
  410   2HG   LYS  59          1HG       LYS  59   1.702  -3.801  14.395
  411   1HD   LYS  59          2HD       LYS  59   0.192  -2.283  15.061
  412   2HD   LYS  59          1HD       LYS  59   1.297  -0.935  14.778
  413   1HE   LYS  59          2HE       LYS  59  -0.238  -0.461  13.177
  414   2HE   LYS  59          1HE       LYS  59   0.788  -1.554  12.249
  415   1HZ   LYS  59          1HZ       LYS  59  -1.322  -2.361  11.858
  416   2HZ   LYS  59          2HZ       LYS  59  -1.861  -2.064  13.441
  417   3HZ   LYS  59          3HZ       LYS  59  -0.804  -3.353  13.134
  418    H    GLY  60           H        GLY  60   6.197  -1.135  15.464
  419   1HA   GLY  60          1HA       GLY  60   5.267   1.446  16.505
  420   2HA   GLY  60          2HA       GLY  60   6.608   0.494  17.131
  421    H    LYS  61           H        LYS  61   6.006   1.390  13.787
  422    HA   LYS  61           HA       LYS  61   8.569   2.828  13.777
  423   1HB   LYS  61          2HB       LYS  61   7.101   1.247  11.697
  424   2HB   LYS  61          1HB       LYS  61   8.182   2.538  11.190
  425   1HG   LYS  61          2HG       LYS  61   9.378   0.756  13.159
  426   2HG   LYS  61          1HG       LYS  61   8.898  -0.063  11.672
  427   1HD   LYS  61          2HD       LYS  61  10.675   0.766  10.622
  428   2HD   LYS  61          1HD       LYS  61  10.138   2.407  10.988
  429   1HE   LYS  61          2HE       LYS  61  12.087   2.507  12.112
  430   2HE   LYS  61          1HE       LYS  61  11.150   1.711  13.375
  431   1HZ   LYS  61          1HZ       LYS  61  11.954  -0.423  12.106
  432   2HZ   LYS  61          2HZ       LYS  61  12.944   0.335  13.257
  433   3HZ   LYS  61          3HZ       LYS  61  13.210   0.604  11.609
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -9.486  24.223   6.861
    2   2H    GLY   1          2H        GLY   1  -8.042  23.432   7.260
    3   3H    GLY   1          3H        GLY   1  -9.498  22.563   7.203
    4   1HA   GLY   1          2HA       GLY   1  -9.015  23.890   4.742
    5   2HA   GLY   1          1HA       GLY   1  -7.672  22.844   5.177
    6    HA   PRO   2           HA       PRO   2 -11.236  20.372   3.321
    7   1HB   PRO   2          2HB       PRO   2  -9.502  19.843   1.039
    8   2HB   PRO   2          1HB       PRO   2 -11.120  20.547   1.065
    9   1HG   PRO   2          2HG       PRO   2  -8.905  21.976   0.430
   10   2HG   PRO   2          1HG       PRO   2 -10.324  22.695   1.214
   11   1HD   PRO   2          2HD       PRO   2  -7.725  21.828   2.431
   12   2HD   PRO   2          1HD       PRO   2  -8.690  23.285   2.754
   13    H    LEU   3           H        LEU   3 -10.336  19.156   5.211
   14    HA   LEU   3           HA       LEU   3  -8.797  16.837   4.255
   15   1HB   LEU   3          2HB       LEU   3  -7.650  16.683   6.357
   16   2HB   LEU   3          1HB       LEU   3  -7.421  18.296   5.713
   17    HG   LEU   3           HG       LEU   3  -9.701  18.375   7.406
   18   1HD1  LEU   3          1HD1      LEU   3  -8.969  17.540   9.463
   19   2HD1  LEU   3          2HD1      LEU   3  -8.606  16.255   8.311
   20   3HD1  LEU   3          3HD1      LEU   3  -7.318  17.314   8.887
   21   1HD2  LEU   3          1HD2      LEU   3  -7.701  20.015   6.780
   22   2HD2  LEU   3          2HD2      LEU   3  -8.659  20.204   8.249
   23   3HD2  LEU   3          3HD2      LEU   3  -7.083  19.415   8.320
   24    H    GLY   4           H        GLY   4  -9.569  14.871   4.797
   25   1HA   GLY   4          1HA       GLY   4 -12.149  14.825   6.200
   26   2HA   GLY   4          2HA       GLY   4 -11.498  13.540   5.185
   27    H    SER   5           H        SER   5  -9.024  13.153   6.185
   28    HA   SER   5           HA       SER   5  -7.944  11.906   7.739
   29   1HB   SER   5          2HB       SER   5  -9.161  14.131   9.354
   30   2HB   SER   5          1HB       SER   5  -8.146  12.908  10.118
   31    HG   SER   5           HG       SER   5  -6.971  14.783   9.402
   32    H    ASP   6           H        ASP   6  -9.894  10.396   7.027
   33    HA   ASP   6           HA       ASP   6 -11.509   9.604   9.321
   34   1HB   ASP   6          2HB       ASP   6 -12.269   9.661   6.811
   35   2HB   ASP   6          1HB       ASP   6 -11.449   8.104   6.721
   36    H    HIS   7           H        HIS   7 -11.174   6.784   7.896
   37    HA   HIS   7           HA       HIS   7  -9.235   5.810   9.783
   38   1HB   HIS   7          2HB       HIS   7 -11.174   4.436   9.190
   39   2HB   HIS   7          1HB       HIS   7 -10.665   4.416   7.506
   40    HD2  HIS   7           2HD      HIS   7  -9.027   2.382   6.829
   41    HE1  HIS   7           1HE      HIS   7  -8.171   1.085  10.767
   42    HE2  HIS   7           2HE      HIS   7  -7.728   0.679   8.300
   43    H    HIS   8           H        HIS   8  -9.430   5.882   6.230
   44    HA   HIS   8           HA       HIS   8  -6.537   5.472   6.139
   45   1HB   HIS   8          2HB       HIS   8  -8.765   5.148   4.173
   46   2HB   HIS   8          1HB       HIS   8  -7.135   5.431   3.571
   47    HD2  HIS   8           2HD      HIS   8  -5.437   3.511   5.520
   48    HE1  HIS   8           1HE      HIS   8  -8.138   0.510   4.256
   49    HE2  HIS   8           2HE      HIS   8  -5.809   0.969   5.133
   50    H    MET   9           H        MET   9  -5.151   6.970   5.448
   51    HA   MET   9           HA       MET   9  -5.899   9.689   5.463
   52   1HB   MET   9          2HB       MET   9  -3.423   8.147   5.166
   53   2HB   MET   9          1HB       MET   9  -3.420   9.673   4.291
   54   1HG   MET   9          2HG       MET   9  -3.644  10.930   6.224
   55   2HG   MET   9          1HG       MET   9  -4.250   9.563   7.160
   56   1HE   MET   9          1HE       MET   9  -0.461  11.376   7.528
   57   2HE   MET   9          2HE       MET   9  -2.149  11.867   7.391
   58   3HE   MET   9          3HE       MET   9  -1.593  11.022   8.835
   59    H    GLU  10           H        GLU  10  -6.011  11.205   3.824
   60    HA   GLU  10           HA       GLU  10  -6.903  10.183   1.275
   61   1HB   GLU  10          2HB       GLU  10  -6.495  13.067   2.069
   62   2HB   GLU  10          1HB       GLU  10  -7.491  12.454   0.755
   63   1HG   GLU  10          2HG       GLU  10  -9.232  12.168   2.095
   64   2HG   GLU  10          1HG       GLU  10  -8.261  11.311   3.293
   65    H    PHE  11           H        PHE  11  -3.963  10.941   2.581
   66    HA   PHE  11           HA       PHE  11  -2.759  10.927  -0.074
   67   1HB   PHE  11          2HB       PHE  11  -1.006  12.520   0.622
   68   2HB   PHE  11          1HB       PHE  11  -2.593  13.271   0.623
   69    HD1  PHE  11           1HD      PHE  11  -3.769  13.610   2.831
   70    HD2  PHE  11           2HD      PHE  11   0.320  12.460   2.547
   71    HE1  PHE  11           1HE      PHE  11  -3.403  14.341   5.150
   72    HE2  PHE  11           2HE      PHE  11   0.688  13.196   4.862
   73    HZ   PHE  11           HZ       PHE  11  -1.174  14.136   6.170
   74    H    CYS  12           H        CYS  12  -0.731   9.871  -0.127
   75    HA   CYS  12           HA       CYS  12  -0.420   7.887   1.926
   76   1HB   CYS  12          2HB       CYS  12   0.405   6.843   0.111
   77   2HB   CYS  12          1HB       CYS  12   0.600   8.361  -0.759
   78    HG   CYS  12           HG       CYS  12   3.097   8.100  -0.830
   79    H    ARG  13           H        ARG  13   0.800   8.027   3.685
   80    HA   ARG  13           HA       ARG  13   1.658  10.445   4.631
   81   1HB   ARG  13          2HB       ARG  13   3.040   8.047   5.716
   82   2HB   ARG  13          1HB       ARG  13   2.249   9.369   6.559
   83   1HG   ARG  13          2HG       ARG  13   0.059   8.418   5.818
   84   2HG   ARG  13          1HG       ARG  13   0.950   7.015   5.221
   85   1HD   ARG  13          2HD       ARG  13   1.177   7.995   8.055
   86   2HD   ARG  13          1HD       ARG  13  -0.045   6.828   7.553
   87    HE   ARG  13           HE       ARG  13   2.562   6.016   6.739
   88   1HH1  ARG  13          2HH1      ARG  13   0.477   6.219   9.548
   89   2HH1  ARG  13          1HH1      ARG  13   1.189   4.842  10.329
   90   1HH2  ARG  13          2HH2      ARG  13   3.502   4.210   7.768
   91   2HH2  ARG  13          1HH2      ARG  13   2.943   3.729   9.346
   92    H    VAL  14           H        VAL  14   3.577   8.134   2.839
   93    HA   VAL  14           HA       VAL  14   6.084   9.298   3.569
   94    HB   VAL  14           HB       VAL  14   5.777   7.582   1.136
   95   1HG1  VAL  14          1HG1      VAL  14   7.865   8.187   3.152
   96   2HG1  VAL  14          2HG1      VAL  14   7.852   6.574   2.436
   97   3HG1  VAL  14          3HG1      VAL  14   7.995   7.997   1.403
   98   1HG2  VAL  14          1HG2      VAL  14   5.992   5.629   2.808
   99   2HG2  VAL  14          2HG2      VAL  14   5.297   6.757   3.972
  100   3HG2  VAL  14          3HG2      VAL  14   4.403   6.332   2.510
  101    H    CYS  15           H        CYS  15   4.351   9.139   0.466
  102    HA   CYS  15           HA       CYS  15   6.102  11.056  -0.732
  103   1HB   CYS  15          2HB       CYS  15   3.458  10.086  -1.813
  104   2HB   CYS  15          1HB       CYS  15   4.799  10.765  -2.717
  105    H    LYS  16           H        LYS  16   3.094  11.156   0.945
  106    HA   LYS  16           HA       LYS  16   1.679  12.818   1.547
  107   1HB   LYS  16          2HB       LYS  16   3.915  14.494   0.479
  108   2HB   LYS  16          1HB       LYS  16   2.345  15.239   0.755
  109   1HG   LYS  16          2HG       LYS  16   2.490  15.041   3.017
  110   2HG   LYS  16          1HG       LYS  16   3.501  13.598   2.938
  111   1HD   LYS  16          2HD       LYS  16   5.237  14.915   3.394
  112   2HD   LYS  16          1HD       LYS  16   5.042  15.598   1.777
  113   1HE   LYS  16          2HE       LYS  16   3.303  16.659   3.930
  114   2HE   LYS  16          1HE       LYS  16   5.011  17.095   3.980
  115   1HZ   LYS  16          1HZ       LYS  16   4.587  17.641   1.481
  116   2HZ   LYS  16          2HZ       LYS  16   4.164  18.758   2.687
  117   3HZ   LYS  16          3HZ       LYS  16   2.971  17.776   1.981
  118    H    ASP  17           H        ASP  17   2.245  11.574  -1.258
  119    HA   ASP  17           HA       ASP  17   0.415  13.194  -2.844
  120   1HB   ASP  17          2HB       ASP  17   2.392  12.467  -4.027
  121   2HB   ASP  17          1HB       ASP  17   2.124  10.798  -3.533
  122    H    GLY  18           H        GLY  18  -1.657  12.649  -3.105
  123   1HA   GLY  18          1HA       GLY  18  -2.522  10.089  -1.927
  124   2HA   GLY  18          2HA       GLY  18  -3.513  11.544  -2.041
  125    H    GLY  19           H        GLY  19  -1.516  10.325  -4.654
  126   1HA   GLY  19          1HA       GLY  19  -3.815  10.329  -6.367
  127   2HA   GLY  19          2HA       GLY  19  -2.165   9.999  -6.846
  128    H    GLU  20           H        GLU  20  -1.409   7.926  -6.870
  129    HA   GLU  20           HA       GLU  20  -3.384   5.871  -7.203
  130   1HB   GLU  20          2HB       GLU  20  -0.697   6.366  -7.983
  131   2HB   GLU  20          1HB       GLU  20  -0.711   4.840  -7.113
  132   1HG   GLU  20          2HG       GLU  20  -2.255   5.578  -9.584
  133   2HG   GLU  20          1HG       GLU  20  -0.997   4.356  -9.416
  134    H    LEU  21           H        LEU  21  -3.963   6.374  -4.772
  135    HA   LEU  21           HA       LEU  21  -2.163   5.390  -2.830
  136   1HB   LEU  21          2HB       LEU  21  -4.867   6.563  -2.812
  137   2HB   LEU  21          1HB       LEU  21  -4.446   5.562  -1.431
  138    HG   LEU  21           HG       LEU  21  -2.755   7.874  -2.382
  139   1HD1  LEU  21          1HD1      LEU  21  -3.666   9.002  -0.339
  140   2HD1  LEU  21          2HD1      LEU  21  -4.786   8.852  -1.695
  141   3HD1  LEU  21          3HD1      LEU  21  -4.926   7.766  -0.313
  142   1HD2  LEU  21          1HD2      LEU  21  -2.490   7.276   0.369
  143   2HD2  LEU  21          2HD2      LEU  21  -2.344   5.765  -0.530
  144   3HD2  LEU  21          3HD2      LEU  21  -1.284   7.124  -0.912
  145    H    LEU  22           H        LEU  22  -1.714   3.495  -2.366
  146    HA   LEU  22           HA       LEU  22  -3.716   1.337  -2.523
  147   1HB   LEU  22          2HB       LEU  22  -1.784   0.888  -3.893
  148   2HB   LEU  22          1HB       LEU  22  -0.697   1.332  -2.594
  149    HG   LEU  22           HG       LEU  22  -1.800  -0.688  -1.352
  150   1HD1  LEU  22          1HD1      LEU  22  -2.592  -2.435  -2.750
  151   2HD1  LEU  22          2HD1      LEU  22  -3.510  -0.986  -3.160
  152   3HD1  LEU  22          3HD1      LEU  22  -2.200  -1.527  -4.210
  153   1HD2  LEU  22          1HD2      LEU  22   0.568  -0.330  -2.402
  154   2HD2  LEU  22          2HD2      LEU  22   0.046  -1.940  -1.908
  155   3HD2  LEU  22          3HD2      LEU  22  -0.016  -1.474  -3.609
  156    H    CYS  23           H        CYS  23  -4.672   1.296  -0.570
  157    HA   CYS  23           HA       CYS  23  -3.129   2.046   1.771
  158   1HB   CYS  23          2HB       CYS  23  -5.946   1.397   2.195
  159   2HB   CYS  23          1HB       CYS  23  -5.059   2.869   2.576
  160    HG   CYS  23           HG       CYS  23  -7.269   2.395   0.253
  161    H    CYS  24           H        CYS  24  -2.969   0.885   3.660
  162    HA   CYS  24           HA       CYS  24  -2.807  -1.952   3.442
  163   1HB   CYS  24          2HB       CYS  24  -1.288  -0.659   4.854
  164   2HB   CYS  24          1HB       CYS  24  -2.637  -0.104   5.831
  165    H    ASP  25           H        ASP  25  -4.172  -3.492   4.188
  166    HA   ASP  25           HA       ASP  25  -6.865  -2.620   4.881
  167   1HB   ASP  25          2HB       ASP  25  -6.218  -4.486   3.171
  168   2HB   ASP  25          1HB       ASP  25  -6.043  -5.496   4.605
  169    H    THR  26           H        THR  26  -4.109  -3.236   6.523
  170    HA   THR  26           HA       THR  26  -5.479  -4.499   8.798
  171    HB   THR  26           HB       THR  26  -2.629  -4.158   9.149
  172    HG1  THR  26           1HG      THR  26  -2.409  -4.299   6.938
  173   1HG2  THR  26          1HG2      THR  26  -2.863  -6.159  10.135
  174   2HG2  THR  26          2HG2      THR  26  -3.645  -6.859   8.717
  175   3HG2  THR  26          3HG2      THR  26  -4.595  -5.940   9.885
  176    H    CYS  27           H        CYS  27  -2.964  -2.019   8.252
  177    HA   CYS  27           HA       CYS  27  -3.995  -0.629  10.622
  178   1HB   CYS  27          2HB       CYS  27  -1.876   0.368  10.930
  179   2HB   CYS  27          1HB       CYS  27  -1.554  -1.321  10.567
  180    HA   PRO  28           HA       PRO  28  -5.621   2.551   8.099
  181   1HB   PRO  28          2HB       PRO  28  -5.399   4.735   9.691
  182   2HB   PRO  28          1HB       PRO  28  -6.551   3.434   9.993
  183   1HG   PRO  28          2HG       PRO  28  -3.904   3.958  11.275
  184   2HG   PRO  28          1HG       PRO  28  -5.416   3.400  12.012
  185   1HD   PRO  28          2HD       PRO  28  -3.341   1.743  11.405
  186   2HD   PRO  28          1HD       PRO  28  -5.035   1.217  11.435
  187    H    SER  29           H        SER  29  -3.104   2.055   7.167
  188    HA   SER  29           HA       SER  29  -2.017   4.759   6.754
  189   1HB   SER  29          2HB       SER  29  -0.319   2.308   6.455
  190   2HB   SER  29          1HB       SER  29   0.164   3.964   6.817
  191    HG   SER  29           HG       SER  29  -0.844   1.969   8.512
  192    H    SER  30           H        SER  30  -1.947   5.463   4.732
  193    HA   SER  30           HA       SER  30  -2.518   3.556   2.577
  194   1HB   SER  30          2HB       SER  30  -2.769   6.338   1.818
  195   2HB   SER  30          1HB       SER  30  -3.988   5.064   1.797
  196    HG   SER  30           HG       SER  30  -4.436   6.895   3.210
  197    H    TYR  31           H        TYR  31  -1.054   3.224   1.017
  198    HA   TYR  31           HA       TYR  31   1.302   5.008   0.914
  199   1HB   TYR  31          2HB       TYR  31   1.189   1.985   0.760
  200   2HB   TYR  31          1HB       TYR  31   2.620   2.931   0.382
  201    HD1  TYR  31           1HD      TYR  31   0.575   1.507   3.007
  202    HD2  TYR  31           2HD      TYR  31   3.775   4.183   2.178
  203    HE1  TYR  31           1HE      TYR  31   1.274   1.389   5.360
  204    HE2  TYR  31           2HE      TYR  31   4.483   4.072   4.528
  205    HH   TYR  31           HH       TYR  31   2.787   1.989   6.863
  206    H    HIS  32           H        HIS  32   2.578   3.630  -1.132
  207    HA   HIS  32           HA       HIS  32   0.695   3.553  -3.381
  208   1HB   HIS  32          2HB       HIS  32   3.458   4.799  -3.338
  209   2HB   HIS  32          1HB       HIS  32   2.706   4.254  -4.833
  210    HD2  HIS  32           2HD      HIS  32   0.400   5.689  -5.589
  211    HE1  HIS  32           1HE      HIS  32   1.135   8.882  -2.941
  212    HE2  HIS  32           2HE      HIS  32  -0.022   8.192  -5.069
  213    H    ILE  33           H        ILE  33   3.555   2.847  -4.690
  214    HA   ILE  33           HA       ILE  33   3.649   0.130  -3.569
  215    HB   ILE  33           HB       ILE  33   4.209  -0.743  -5.822
  216   1HG1  ILE  33          2HG1      ILE  33   3.318   1.987  -6.782
  217   1HG2  ILE  33          1HG2      ILE  33   1.983  -0.930  -6.554
  218   2HG2  ILE  33          2HG2      ILE  33   1.891  -0.716  -4.807
  219   3HG2  ILE  33          3HG2      ILE  33   1.547   0.641  -5.881
  220   1HD1  ILE  33          1HD1      ILE  33   2.879  -0.124  -8.227
  221   2HD1  ILE  33          2HD1      ILE  33   3.597   1.311  -8.958
  222   3HD1  ILE  33          3HD1      ILE  33   4.617  -0.058  -8.515
  223    H    HIS  34           H        HIS  34   5.273   2.773  -3.385
  224    HA   HIS  34           HA       HIS  34   7.875   1.445  -3.572
  225   1HB   HIS  34          2HB       HIS  34   8.864   2.998  -4.976
  226   2HB   HIS  34          1HB       HIS  34   7.241   2.921  -5.652
  227    HD2  HIS  34           2HD      HIS  34   5.572   5.089  -4.249
  228    HE1  HIS  34           1HE      HIS  34   8.950   7.631  -4.420
  229    HE2  HIS  34           2HE      HIS  34   6.500   7.472  -3.789
  230    H    CYS  35           H        CYS  35   5.751   3.219  -1.787
  231    HA   CYS  35           HA       CYS  35   7.488   5.077  -0.520
  232   1HB   CYS  35          2HB       CYS  35   4.967   4.189   0.783
  233   2HB   CYS  35          1HB       CYS  35   5.540   5.824   0.433
  234    H    LEU  36           H        LEU  36   6.916   1.785  -0.143
  235    HA   LEU  36           HA       LEU  36   7.692   1.646   2.659
  236   1HB   LEU  36          2HB       LEU  36   7.557  -0.930   1.467
  237   2HB   LEU  36          1HB       LEU  36   6.457  -0.210   2.626
  238    HG   LEU  36           HG       LEU  36   6.015   0.647  -0.153
  239   1HD1  LEU  36          1HD1      LEU  36   4.946  -1.426  -0.838
  240   2HD1  LEU  36          2HD1      LEU  36   6.662  -1.687  -0.528
  241   3HD1  LEU  36          3HD1      LEU  36   5.464  -2.205   0.658
  242   1HD2  LEU  36          1HD2      LEU  36   4.423   1.331   1.413
  243   2HD2  LEU  36          2HD2      LEU  36   3.657  -0.021   0.578
  244   3HD2  LEU  36          3HD2      LEU  36   4.360  -0.256   2.179
  245    H    ASN  37           H        ASN  37   9.162  -0.687   2.713
  246    HA   ASN  37           HA       ASN  37  11.713   0.235   1.747
  247   1HB   ASN  37          2HB       ASN  37  11.315  -0.984   3.960
  248   2HB   ASN  37          1HB       ASN  37  11.197  -2.455   3.001
  249   1HD2  ASN  37          1HD2      ASN  37  13.173  -1.119   4.985
  250   2HD2  ASN  37          2HD2      ASN  37  14.714  -1.440   4.256
  251    HA   PRO  38           HA       PRO  38  11.411  -3.383  -1.269
  252   1HB   PRO  38          2HB       PRO  38   9.491  -5.240  -1.125
  253   2HB   PRO  38          1HB       PRO  38  10.887  -5.279  -0.045
  254   1HG   PRO  38          2HG       PRO  38   8.089  -4.452   0.509
  255   2HG   PRO  38          1HG       PRO  38   9.263  -5.230   1.581
  256   1HD   PRO  38          2HD       PRO  38   8.616  -2.490   1.488
  257   2HD   PRO  38          1HD       PRO  38   9.972  -3.231   2.358
  258    HA   PRO  39           HA       PRO  39   8.330  -0.988  -3.582
  259   1HB   PRO  39          2HB       PRO  39   9.689  -0.972  -5.929
  260   2HB   PRO  39          1HB       PRO  39  10.071   0.118  -4.592
  261   1HG   PRO  39          2HG       PRO  39  11.419  -2.419  -5.412
  262   2HG   PRO  39          1HG       PRO  39  12.137  -0.894  -4.862
  263   1HD   PRO  39          2HD       PRO  39  11.834  -3.069  -3.248
  264   2HD   PRO  39          1HD       PRO  39  11.822  -1.400  -2.645
  265    H    LEU  40           H        LEU  40   6.597  -1.759  -4.595
  266    HA   LEU  40           HA       LEU  40   6.713  -4.476  -5.689
  267   1HB   LEU  40          2HB       LEU  40   4.118  -3.071  -5.499
  268   2HB   LEU  40          1HB       LEU  40   4.526  -4.733  -5.117
  269    HG   LEU  40           HG       LEU  40   5.526  -2.592  -3.300
  270   1HD1  LEU  40          1HD1      LEU  40   3.254  -1.897  -3.571
  271   2HD1  LEU  40          2HD1      LEU  40   2.673  -3.555  -3.412
  272   3HD1  LEU  40          3HD1      LEU  40   3.391  -2.733  -2.024
  273   1HD2  LEU  40          1HD2      LEU  40   5.611  -4.272  -1.736
  274   2HD2  LEU  40          2HD2      LEU  40   4.305  -5.189  -2.487
  275   3HD2  LEU  40          3HD2      LEU  40   5.911  -5.181  -3.217
  276    HA   PRO  41           HA       PRO  41   6.789  -2.458  -9.662
  277   1HB   PRO  41          2HB       PRO  41   6.989  -4.718 -11.160
  278   2HB   PRO  41          1HB       PRO  41   8.353  -4.014 -10.283
  279   1HG   PRO  41          2HG       PRO  41   6.588  -6.309  -9.529
  280   2HG   PRO  41          1HG       PRO  41   8.347  -6.152  -9.367
  281   1HD   PRO  41          2HD       PRO  41   6.640  -5.796  -7.291
  282   2HD   PRO  41          1HD       PRO  41   8.181  -4.925  -7.424
  283    H    GLU  42           H        GLU  42   4.463  -4.689  -8.524
  284    HA   GLU  42           HA       GLU  42   2.561  -3.746 -10.555
  285   1HB   GLU  42          2HB       GLU  42   3.288  -6.498  -9.897
  286   2HB   GLU  42          1HB       GLU  42   1.564  -6.201  -9.721
  287   1HG   GLU  42          2HG       GLU  42   3.143  -5.555 -12.198
  288   2HG   GLU  42          1HG       GLU  42   2.245  -7.052 -11.952
  289    H    ILE  43           H        ILE  43   0.627  -3.036  -9.718
  290    HA   ILE  43           HA       ILE  43   0.532  -2.823  -6.829
  291    HB   ILE  43           HB       ILE  43  -1.090  -1.173  -7.041
  292   1HG1  ILE  43          2HG1      ILE  43  -1.793  -1.370  -9.867
  293   1HG2  ILE  43          1HG2      ILE  43   0.868  -0.225  -7.869
  294   2HG2  ILE  43          2HG2      ILE  43   0.747  -1.087  -9.403
  295   3HG2  ILE  43          3HG2      ILE  43  -0.366   0.233  -9.043
  296   1HD1  ILE  43          1HD1      ILE  43  -4.074  -1.231  -9.008
  297   2HD1  ILE  43          2HD1      ILE  43  -3.457  -1.374  -7.362
  298   3HD1  ILE  43          3HD1      ILE  43  -3.042   0.033  -8.342
  299    HA   PRO  44           HA       PRO  44  -1.914  -6.414  -6.227
  300   1HB   PRO  44          2HB       PRO  44  -2.878  -5.018  -3.794
  301   2HB   PRO  44          1HB       PRO  44  -2.056  -6.575  -3.950
  302   1HG   PRO  44          2HG       PRO  44  -0.766  -4.441  -3.001
  303   2HG   PRO  44          1HG       PRO  44   0.048  -5.597  -4.073
  304   1HD   PRO  44          2HD       PRO  44  -1.082  -2.900  -4.701
  305   2HD   PRO  44          1HD       PRO  44   0.432  -3.644  -5.257
  306    H    ASN  45           H        ASN  45  -4.259  -6.938  -5.391
  307    HA   ASN  45           HA       ASN  45  -6.049  -5.487  -7.140
  308   1HB   ASN  45          2HB       ASN  45  -6.006  -8.028  -6.760
  309   2HB   ASN  45          1HB       ASN  45  -6.854  -7.695  -5.253
  310   1HD2  ASN  45          1HD2      ASN  45  -8.925  -8.157  -5.490
  311   2HD2  ASN  45          2HD2      ASN  45  -9.905  -7.764  -6.874
  312    H    GLY  46           H        GLY  46  -5.387  -3.604  -5.472
  313   1HA   GLY  46          1HA       GLY  46  -6.379  -1.961  -4.199
  314   2HA   GLY  46          2HA       GLY  46  -7.837  -2.938  -4.150
  315    H    GLU  47           H        GLU  47  -7.451  -5.038  -2.780
  316    HA   GLU  47           HA       GLU  47  -6.913  -4.144  -0.108
  317   1HB   GLU  47          2HB       GLU  47  -8.738  -5.709  -0.613
  318   2HB   GLU  47          1HB       GLU  47  -7.569  -6.896  -1.175
  319   1HG   GLU  47          2HG       GLU  47  -6.639  -6.401   1.318
  320   2HG   GLU  47          1HG       GLU  47  -8.374  -6.177   1.550
  321    H    TRP  48           H        TRP  48  -4.945  -3.987   0.676
  322    HA   TRP  48           HA       TRP  48  -3.030  -6.144   0.348
  323   1HB   TRP  48          2HB       TRP  48  -2.344  -5.003  -1.558
  324   2HB   TRP  48          1HB       TRP  48  -2.796  -3.436  -0.906
  325    HD1  TRP  48           HD       TRP  48   0.110  -5.869  -1.110
  326    HE1  TRP  48           1HE      TRP  48   2.229  -4.712  -0.223
  327    HE3  TRP  48           3HE      TRP  48  -2.030  -1.653   0.826
  328    HZ2  TRP  48           2HZ      TRP  48   2.899  -2.319   1.127
  329    HZ3  TRP  48           3HZ      TRP  48  -0.588   0.019   1.900
  330    HH2  TRP  48           HH       TRP  48   1.829  -0.309   2.048
  331    H    LEU  49           H        LEU  49  -1.324  -6.027   1.907
  332    HA   LEU  49           HA       LEU  49  -1.768  -4.060   4.060
  333   1HB   LEU  49          2HB       LEU  49  -0.607  -6.560   4.976
  334   2HB   LEU  49          1HB       LEU  49  -1.976  -5.667   5.606
  335    HG   LEU  49           HG       LEU  49  -2.633  -7.055   3.137
  336   1HD1  LEU  49          1HD1      LEU  49  -2.632  -9.193   4.900
  337   2HD1  LEU  49          2HD1      LEU  49  -1.591  -8.982   3.491
  338   3HD1  LEU  49          3HD1      LEU  49  -1.035  -8.468   5.084
  339   1HD2  LEU  49          1HD2      LEU  49  -4.002  -6.049   5.210
  340   2HD2  LEU  49          2HD2      LEU  49  -4.626  -7.329   4.171
  341   3HD2  LEU  49          3HD2      LEU  49  -3.891  -7.733   5.723
  342    H    CYS  50           H        CYS  50   0.089  -3.431   5.250
  343    HA   CYS  50           HA       CYS  50   2.365  -2.829   3.868
  344   1HB   CYS  50          2HB       CYS  50   2.192  -3.380   6.836
  345   2HB   CYS  50          1HB       CYS  50   3.462  -2.461   6.036
  346    HA   PRO  51           HA       PRO  51   5.051  -6.410   3.748
  347   1HB   PRO  51          2HB       PRO  51   7.299  -4.708   4.556
  348   2HB   PRO  51          1HB       PRO  51   7.036  -5.560   3.033
  349   1HG   PRO  51          2HG       PRO  51   6.893  -2.881   3.210
  350   2HG   PRO  51          1HG       PRO  51   5.863  -3.808   2.103
  351   1HD   PRO  51          2HD       PRO  51   5.195  -2.635   4.780
  352   2HD   PRO  51          1HD       PRO  51   4.232  -2.653   3.287
  353    H    ARG  52           H        ARG  52   4.268  -4.696   6.457
  354    HA   ARG  52           HA       ARG  52   5.700  -6.570   8.203
  355   1HB   ARG  52          2HB       ARG  52   5.014  -4.601   9.931
  356   2HB   ARG  52          1HB       ARG  52   6.563  -4.674   9.104
  357   1HG   ARG  52          2HG       ARG  52   6.169  -2.717   8.156
  358   2HG   ARG  52          1HG       ARG  52   4.709  -3.356   7.398
  359   1HD   ARG  52          2HD       ARG  52   3.824  -1.628   8.625
  360   2HD   ARG  52          1HD       ARG  52   3.678  -2.954   9.779
  361    HE   ARG  52           HE       ARG  52   5.869  -2.094  10.702
  362   1HH1  ARG  52          2HH1      ARG  52   3.557   0.012   9.110
  363   2HH1  ARG  52          1HH1      ARG  52   4.057   1.427   9.983
  364   1HH2  ARG  52          2HH2      ARG  52   6.527  -0.227  11.848
  365   2HH2  ARG  52          1HH2      ARG  52   5.766   1.299  11.504
  366    H    CYS  53           H        CYS  53   2.676  -4.946   7.482
  367    HA   CYS  53           HA       CYS  53   1.197  -6.133   9.623
  368   1HB   CYS  53          2HB       CYS  53   0.350  -4.755   7.073
  369   2HB   CYS  53          1HB       CYS  53  -0.782  -5.316   8.300
  370    H    THR  54           H        THR  54   2.474  -7.317   6.795
  371    HA   THR  54           HA       THR  54   0.513  -9.190   5.972
  372    HB   THR  54           HB       THR  54   2.961 -10.324   5.354
  373    HG1  THR  54           1HG      THR  54   3.274  -7.522   4.998
  374   1HG2  THR  54          1HG2      THR  54   0.826  -9.031   4.036
  375   2HG2  THR  54          2HG2      THR  54   2.049 -10.097   3.345
  376   3HG2  THR  54          3HG2      THR  54   2.325  -8.355   3.399
  377    H    CYS  55           H        CYS  55   2.833  -9.068   8.523
  378    HA   CYS  55           HA       CYS  55   1.843 -11.603   9.554
  379   1HB   CYS  55          2HB       CYS  55   4.675 -10.994   8.833
  380   2HB   CYS  55          1HB       CYS  55   4.372 -11.966  10.271
  381    HG   CYS  55           HG       CYS  55   2.814 -12.893   7.419
  382    HA   PRO  56           HA       PRO  56   1.844  -8.202  12.654
  383   1HB   PRO  56          2HB       PRO  56  -0.494  -9.704  13.651
  384   2HB   PRO  56          1HB       PRO  56  -0.357  -7.997  13.221
  385   1HG   PRO  56          2HG       PRO  56  -1.714  -9.716  11.682
  386   2HG   PRO  56          1HG       PRO  56  -0.762  -8.395  10.976
  387   1HD   PRO  56          2HD       PRO  56  -0.079 -11.302  11.227
  388   2HD   PRO  56          1HD       PRO  56   0.177 -10.200   9.857
  389    H    ALA  57           H        ALA  57   1.762 -11.661  12.945
  390    HA   ALA  57           HA       ALA  57   2.831 -11.462  15.683
  391   1HB   ALA  57          1HB       ALA  57   1.758 -13.984  14.447
  392   2HB   ALA  57          2HB       ALA  57   2.023 -13.618  16.151
  393   3HB   ALA  57          3HB       ALA  57   0.710 -12.831  15.275
  394    H    LEU  58           H        LEU  58   4.496 -10.798  13.667
  395    HA   LEU  58           HA       LEU  58   5.960 -13.012  12.619
  396   1HB   LEU  58          2HB       LEU  58   6.031 -11.020  11.360
  397   2HB   LEU  58          1HB       LEU  58   6.444 -10.049  12.760
  398    HG   LEU  58           HG       LEU  58   8.583 -11.769  12.590
  399   1HD1  LEU  58          1HD1      LEU  58   7.338 -11.514   9.951
  400   2HD1  LEU  58          2HD1      LEU  58   9.057 -11.125  10.001
  401   3HD1  LEU  58          3HD1      LEU  58   8.492 -12.702  10.556
  402   1HD2  LEU  58          1HD2      LEU  58   8.263  -9.158  12.792
  403   2HD2  LEU  58          2HD2      LEU  58   9.795  -9.865  12.279
  404   3HD2  LEU  58          3HD2      LEU  58   8.679  -9.214  11.078
  405    H    LYS  59           H        LYS  59   7.597 -14.116  13.492
  406    HA   LYS  59           HA       LYS  59   8.515 -13.265  16.147
  407   1HB   LYS  59          2HB       LYS  59   7.709 -15.765  15.101
  408   2HB   LYS  59          1HB       LYS  59   9.433 -15.888  15.423
  409   1HG   LYS  59          2HG       LYS  59   8.570 -16.550  17.432
  410   2HG   LYS  59          1HG       LYS  59   8.776 -14.822  17.724
  411   1HD   LYS  59          2HD       LYS  59   6.273 -14.910  16.639
  412   2HD   LYS  59          1HD       LYS  59   6.328 -16.428  17.537
  413   1HE   LYS  59          2HE       LYS  59   6.843 -15.290  19.569
  414   2HE   LYS  59          1HE       LYS  59   7.082 -13.766  18.720
  415   1HZ   LYS  59          1HZ       LYS  59   4.849 -13.440  18.473
  416   2HZ   LYS  59          2HZ       LYS  59   4.857 -14.266  19.955
  417   3HZ   LYS  59          3HZ       LYS  59   4.470 -15.093  18.524
  418    H    GLY  60           H        GLY  60   9.508 -12.188  13.584
  419   1HA   GLY  60          1HA       GLY  60  12.210 -13.236  13.347
  420   2HA   GLY  60          2HA       GLY  60  11.512 -11.924  12.406
  421    H    LYS  61           H        LYS  61  11.457  -9.829  13.281
  422    HA   LYS  61           HA       LYS  61  12.573  -9.303  15.867
  423   1HB   LYS  61          2HB       LYS  61  14.441  -7.942  15.144
  424   2HB   LYS  61          1HB       LYS  61  14.625  -9.559  14.481
  425   1HG   LYS  61          2HG       LYS  61  14.739  -8.747  12.429
  426   2HG   LYS  61          1HG       LYS  61  13.189  -7.925  12.624
  427   1HD   LYS  61          2HD       LYS  61  15.254  -6.545  14.079
  428   2HD   LYS  61          1HD       LYS  61  15.726  -6.757  12.392
  429   1HE   LYS  61          2HE       LYS  61  14.514  -4.898  12.044
  430   2HE   LYS  61          1HE       LYS  61  13.129  -5.987  12.131
  431   1HZ   LYS  61          1HZ       LYS  61  14.250  -4.567  14.487
  432   2HZ   LYS  61          2HZ       LYS  61  12.795  -5.437  14.404
  433   3HZ   LYS  61          3HZ       LYS  61  12.960  -3.976  13.559
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -17.538   8.884   8.986
    2   2H    GLY   1          2H        GLY   1 -17.101   9.937   7.732
    3   3H    GLY   1          3H        GLY   1 -16.087   8.639   8.136
    4   1HA   GLY   1          2HA       GLY   1 -18.311   7.303   7.610
    5   2HA   GLY   1          1HA       GLY   1 -18.511   8.683   6.535
    6    HA   PRO   2           HA       PRO   2 -14.879   5.692   5.277
    7   1HB   PRO   2          2HB       PRO   2 -16.620   3.387   4.760
    8   2HB   PRO   2          1HB       PRO   2 -15.103   3.463   5.660
    9   1HG   PRO   2          2HG       PRO   2 -17.462   3.083   6.886
   10   2HG   PRO   2          1HG       PRO   2 -16.155   4.014   7.641
   11   1HD   PRO   2          2HD       PRO   2 -18.607   4.999   6.220
   12   2HD   PRO   2          1HD       PRO   2 -17.871   5.583   7.730
   13    H    LEU   3           H        LEU   3 -15.911   7.520   3.744
   14    HA   LEU   3           HA       LEU   3 -16.771   6.183   1.263
   15   1HB   LEU   3          2HB       LEU   3 -17.048   8.899   0.838
   16   2HB   LEU   3          1HB       LEU   3 -18.338   7.770   1.200
   17    HG   LEU   3           HG       LEU   3 -17.177   8.568   3.668
   18   1HD1  LEU   3          1HD1      LEU   3 -16.803  10.572   1.775
   19   2HD1  LEU   3          2HD1      LEU   3 -18.251  11.047   2.662
   20   3HD1  LEU   3          3HD1      LEU   3 -16.746  10.744   3.530
   21   1HD2  LEU   3          1HD2      LEU   3 -19.725   9.781   2.962
   22   2HD2  LEU   3          2HD2      LEU   3 -19.660   8.056   2.601
   23   3HD2  LEU   3          3HD2      LEU   3 -19.334   8.628   4.238
   24    H    GLY   4           H        GLY   4 -14.067   6.210   2.209
   25   1HA   GLY   4          1HA       GLY   4 -12.215   6.244   0.635
   26   2HA   GLY   4          2HA       GLY   4 -12.837   7.772   0.030
   27    H    SER   5           H        SER   5 -10.639   6.305   2.064
   28    HA   SER   5           HA       SER   5  -9.099   7.031   3.551
   29   1HB   SER   5          2HB       SER   5  -9.583   9.855   2.647
   30   2HB   SER   5          1HB       SER   5  -8.064   9.066   3.075
   31    HG   SER   5           HG       SER   5  -8.369   9.388   0.787
   32    H    ASP   6           H        ASP   6 -11.517   6.651   4.757
   33    HA   ASP   6           HA       ASP   6 -12.312   8.905   6.347
   34   1HB   ASP   6          2HB       ASP   6 -13.860   7.033   5.927
   35   2HB   ASP   6          1HB       ASP   6 -12.795   5.954   6.828
   36    H    HIS   7           H        HIS   7 -10.563   5.901   7.088
   37    HA   HIS   7           HA       HIS   7  -9.249   7.312   9.319
   38   1HB   HIS   7          2HB       HIS   7  -8.672   5.026  10.170
   39   2HB   HIS   7          1HB       HIS   7 -10.395   5.367  10.156
   40    HD2  HIS   7           2HD      HIS   7  -7.800   3.121   8.269
   41    HE1  HIS   7           1HE      HIS   7 -11.721   1.752   7.457
   42    HE2  HIS   7           2HE      HIS   7  -9.260   1.163   7.387
   43    H    HIS   8           H        HIS   8  -8.882   5.875   6.277
   44    HA   HIS   8           HA       HIS   8  -6.058   5.409   6.447
   45   1HB   HIS   8          2HB       HIS   8  -8.084   5.414   4.224
   46   2HB   HIS   8          1HB       HIS   8  -6.361   5.369   3.856
   47    HD2  HIS   8           2HD      HIS   8  -5.215   3.208   5.793
   48    HE1  HIS   8           1HE      HIS   8  -8.450   0.763   4.611
   49    HE2  HIS   8           2HE      HIS   8  -6.089   0.781   5.527
   50    H    MET   9           H        MET   9  -4.446   6.652   5.594
   51    HA   MET   9           HA       MET   9  -4.601   9.422   5.851
   52   1HB   MET   9          2HB       MET   9  -2.623   7.737   4.300
   53   2HB   MET   9          1HB       MET   9  -2.400   9.441   4.664
   54   1HG   MET   9          2HG       MET   9  -1.945   9.060   6.864
   55   2HG   MET   9          1HG       MET   9  -2.913   7.589   6.923
   56   1HE   MET   9          1HE       MET   9  -0.269   8.136   8.262
   57   2HE   MET   9          2HE       MET   9  -0.543   6.397   8.384
   58   3HE   MET   9          3HE       MET   9   1.000   7.007   7.788
   59    H    GLU  10           H        GLU  10  -5.265  11.012   4.545
   60    HA   GLU  10           HA       GLU  10  -6.629  10.387   2.135
   61   1HB   GLU  10          2HB       GLU  10  -6.817  12.894   1.916
   62   2HB   GLU  10          1HB       GLU  10  -7.454  12.213   3.406
   63   1HG   GLU  10          2HG       GLU  10  -4.645  13.097   3.488
   64   2HG   GLU  10          1HG       GLU  10  -5.857  14.364   3.307
   65    H    PHE  11           H        PHE  11  -3.406  11.014   2.846
   66    HA   PHE  11           HA       PHE  11  -2.774  10.976   0.001
   67   1HB   PHE  11          2HB       PHE  11  -0.778  12.502   0.538
   68   2HB   PHE  11          1HB       PHE  11  -2.357  13.268   0.422
   69    HD1  PHE  11           1HD      PHE  11  -3.210  14.526   2.192
   70    HD2  PHE  11           2HD      PHE  11   0.122  11.964   2.858
   71    HE1  PHE  11           1HE      PHE  11  -2.907  15.504   4.430
   72    HE2  PHE  11           2HE      PHE  11   0.427  12.938   5.094
   73    HZ   PHE  11           HZ       PHE  11  -1.089  14.710   5.882
   74    H    CYS  12           H        CYS  12  -0.645  10.005  -0.393
   75    HA   CYS  12           HA       CYS  12  -0.128   7.889   1.462
   76   1HB   CYS  12          2HB       CYS  12   0.548   7.004  -0.492
   77   2HB   CYS  12          1HB       CYS  12   0.699   8.588  -1.246
   78    HG   CYS  12           HG       CYS  12   3.213   8.731  -1.218
   79    H    ARG  13           H        ARG  13   1.107   7.967   3.164
   80    HA   ARG  13           HA       ARG  13   2.074  10.243   4.256
   81   1HB   ARG  13          2HB       ARG  13   1.680   8.266   5.560
   82   2HB   ARG  13          1HB       ARG  13   2.977   7.406   4.742
   83   1HG   ARG  13          2HG       ARG  13   4.081   9.752   5.869
   84   2HG   ARG  13          1HG       ARG  13   3.085   8.973   7.100
   85   1HD   ARG  13          2HD       ARG  13   5.094   7.461   5.449
   86   2HD   ARG  13          1HD       ARG  13   5.516   8.248   6.970
   87    HE   ARG  13           HE       ARG  13   3.636   5.999   6.651
   88   1HH1  ARG  13          2HH1      ARG  13   5.674   8.026   8.672
   89   2HH1  ARG  13          1HH1      ARG  13   5.542   6.979  10.058
   90   1HH2  ARG  13          2HH2      ARG  13   3.436   4.658   8.484
   91   2HH2  ARG  13          1HH2      ARG  13   4.232   5.099   9.967
   92    H    VAL  14           H        VAL  14   3.930   8.058   2.206
   93    HA   VAL  14           HA       VAL  14   6.429   9.309   2.801
   94    HB   VAL  14           HB       VAL  14   5.663   7.328   0.678
   95   1HG1  VAL  14          1HG1      VAL  14   7.607   7.757  -0.315
   96   2HG1  VAL  14          2HG1      VAL  14   8.084   8.868   0.968
   97   3HG1  VAL  14          3HG1      VAL  14   8.403   7.142   1.132
   98   1HG2  VAL  14          1HG2      VAL  14   5.469   6.496   2.957
   99   2HG2  VAL  14          2HG2      VAL  14   6.818   5.724   2.124
  100   3HG2  VAL  14          3HG2      VAL  14   7.124   7.008   3.296
  101    H    CYS  15           H        CYS  15   4.064   9.597   0.244
  102    HA   CYS  15           HA       CYS  15   5.714  11.343  -1.378
  103   1HB   CYS  15          2HB       CYS  15   2.842  10.443  -1.526
  104   2HB   CYS  15          1HB       CYS  15   3.450  11.725  -2.558
  105    H    LYS  16           H        LYS  16   3.284  11.541   1.078
  106    HA   LYS  16           HA       LYS  16   2.320  13.245   2.230
  107   1HB   LYS  16          2HB       LYS  16   4.387  14.888   0.780
  108   2HB   LYS  16          1HB       LYS  16   3.112  15.649   1.722
  109   1HG   LYS  16          2HG       LYS  16   4.401  15.435   3.508
  110   2HG   LYS  16          1HG       LYS  16   4.176  13.688   3.394
  111   1HD   LYS  16          2HD       LYS  16   6.154  13.476   2.029
  112   2HD   LYS  16          1HD       LYS  16   6.336  15.229   1.957
  113   1HE   LYS  16          2HE       LYS  16   6.351  13.740   4.566
  114   2HE   LYS  16          1HE       LYS  16   7.815  13.951   3.607
  115   1HZ   LYS  16          1HZ       LYS  16   6.115  16.231   4.446
  116   2HZ   LYS  16          2HZ       LYS  16   7.696  16.279   3.837
  117   3HZ   LYS  16          3HZ       LYS  16   7.405  15.657   5.389
  118    H    ASP  17           H        ASP  17   1.932  12.216  -0.597
  119    HA   ASP  17           HA       ASP  17  -0.491  13.619  -1.153
  120   1HB   ASP  17          2HB       ASP  17   1.033  15.124  -2.317
  121   2HB   ASP  17          1HB       ASP  17   1.811  13.769  -3.120
  122    H    GLY  18           H        GLY  18  -1.534  12.534  -3.183
  123   1HA   GLY  18          1HA       GLY  18  -0.605  10.081  -4.141
  124   2HA   GLY  18          2HA       GLY  18  -1.543   9.752  -2.688
  125    H    GLY  19           H        GLY  19  -1.646  10.306  -6.017
  126   1HA   GLY  19          1HA       GLY  19  -4.400  11.129  -6.157
  127   2HA   GLY  19          2HA       GLY  19  -3.410  10.573  -7.503
  128    H    GLU  20           H        GLU  20  -2.595   8.188  -6.730
  129    HA   GLU  20           HA       GLU  20  -5.023   6.601  -6.222
  130   1HB   GLU  20          2HB       GLU  20  -2.872   6.215  -8.058
  131   2HB   GLU  20          1HB       GLU  20  -2.749   4.968  -6.823
  132   1HG   GLU  20          2HG       GLU  20  -4.116   3.911  -8.291
  133   2HG   GLU  20          1HG       GLU  20  -5.327   4.720  -7.298
  134    H    LEU  21           H        LEU  21  -4.836   5.007  -4.497
  135    HA   LEU  21           HA       LEU  21  -2.463   5.320  -2.841
  136   1HB   LEU  21          2HB       LEU  21  -5.158   6.282  -2.144
  137   2HB   LEU  21          1HB       LEU  21  -4.282   5.441  -0.873
  138    HG   LEU  21           HG       LEU  21  -3.110   7.731  -2.439
  139   1HD1  LEU  21          1HD1      LEU  21  -4.729   8.903  -1.350
  140   2HD1  LEU  21          2HD1      LEU  21  -4.846   7.737  -0.031
  141   3HD1  LEU  21          3HD1      LEU  21  -3.484   8.862  -0.099
  142   1HD2  LEU  21          1HD2      LEU  21  -1.248   7.254  -1.357
  143   2HD2  LEU  21          2HD2      LEU  21  -2.085   7.360   0.193
  144   3HD2  LEU  21          3HD2      LEU  21  -2.034   5.827  -0.676
  145    H    LEU  22           H        LEU  22  -1.720   3.557  -2.147
  146    HA   LEU  22           HA       LEU  22  -3.407   1.155  -2.049
  147   1HB   LEU  22          2HB       LEU  22  -1.297   1.231  -3.465
  148   2HB   LEU  22          1HB       LEU  22  -0.395   1.331  -1.967
  149    HG   LEU  22           HG       LEU  22  -1.487  -0.869  -1.316
  150   1HD1  LEU  22          1HD1      LEU  22  -3.313  -0.808  -2.938
  151   2HD1  LEU  22          2HD1      LEU  22  -2.145  -0.895  -4.258
  152   3HD1  LEU  22          3HD1      LEU  22  -2.317  -2.250  -3.143
  153   1HD2  LEU  22          1HD2      LEU  22   0.102  -1.388  -3.745
  154   2HD2  LEU  22          2HD2      LEU  22   0.837  -0.321  -2.547
  155   3HD2  LEU  22          3HD2      LEU  22   0.339  -1.949  -2.088
  156    H    CYS  23           H        CYS  23  -4.283   1.098  -0.060
  157    HA   CYS  23           HA       CYS  23  -2.554   1.715   2.235
  158   1HB   CYS  23          2HB       CYS  23  -5.333   1.704   2.932
  159   2HB   CYS  23          1HB       CYS  23  -4.191   3.044   2.962
  160    HG   CYS  23           HG       CYS  23  -6.401   2.185   0.529
  161    H    CYS  24           H        CYS  24  -2.648   0.465   4.094
  162    HA   CYS  24           HA       CYS  24  -2.928  -2.335   3.774
  163   1HB   CYS  24          2HB       CYS  24  -1.490  -1.052   5.450
  164   2HB   CYS  24          1HB       CYS  24  -2.956  -0.800   6.377
  165    H    ASP  25           H        ASP  25  -4.558  -3.703   4.414
  166    HA   ASP  25           HA       ASP  25  -7.167  -2.483   4.811
  167   1HB   ASP  25          2HB       ASP  25  -6.529  -4.663   3.418
  168   2HB   ASP  25          1HB       ASP  25  -6.816  -5.436   4.977
  169    H    THR  26           H        THR  26  -4.587  -3.438   6.659
  170    HA   THR  26           HA       THR  26  -6.233  -4.015   9.015
  171    HB   THR  26           HB       THR  26  -3.413  -4.054   9.571
  172    HG1  THR  26           1HG      THR  26  -3.145  -4.543   7.357
  173   1HG2  THR  26          1HG2      THR  26  -3.895  -6.144  10.514
  174   2HG2  THR  26          2HG2      THR  26  -5.234  -6.437   9.403
  175   3HG2  THR  26          3HG2      THR  26  -5.400  -5.240  10.689
  176    H    CYS  27           H        CYS  27  -3.431  -2.008   8.078
  177    HA   CYS  27           HA       CYS  27  -3.900  -0.265  10.353
  178   1HB   CYS  27          2HB       CYS  27  -1.829   0.098   8.192
  179   2HB   CYS  27          1HB       CYS  27  -1.811   0.737   9.833
  180    HA   PRO  28           HA       PRO  28  -5.904   2.915   7.940
  181   1HB   PRO  28          2HB       PRO  28  -5.648   4.973   9.618
  182   2HB   PRO  28          1HB       PRO  28  -6.662   3.588  10.037
  183   1HG   PRO  28          2HG       PRO  28  -3.906   4.271  10.964
  184   2HG   PRO  28          1HG       PRO  28  -5.262   3.594  11.884
  185   1HD   PRO  28          2HD       PRO  28  -3.148   2.130  10.822
  186   2HD   PRO  28          1HD       PRO  28  -4.719   1.458  11.303
  187    H    SER  29           H        SER  29  -3.218   2.295   7.196
  188    HA   SER  29           HA       SER  29  -2.070   4.971   6.749
  189   1HB   SER  29          2HB       SER  29  -0.373   2.546   6.450
  190   2HB   SER  29          1HB       SER  29   0.045   4.141   7.078
  191    HG   SER  29           HG       SER  29  -1.081   1.937   8.381
  192    H    SER  30           H        SER  30  -1.528   5.568   4.704
  193    HA   SER  30           HA       SER  30  -2.124   3.650   2.555
  194   1HB   SER  30          2HB       SER  30  -2.474   6.539   2.004
  195   2HB   SER  30          1HB       SER  30  -3.441   5.162   1.471
  196    HG   SER  30           HG       SER  30  -4.435   6.650   3.037
  197    H    TYR  31           H        TYR  31  -0.586   3.362   1.086
  198    HA   TYR  31           HA       TYR  31   1.593   5.340   0.902
  199   1HB   TYR  31          2HB       TYR  31   1.875   2.325   1.038
  200   2HB   TYR  31          1HB       TYR  31   3.188   3.441   0.679
  201    HD1  TYR  31           1HD      TYR  31   1.402   1.751   3.240
  202    HD2  TYR  31           2HD      TYR  31   3.725   5.223   2.447
  203    HE1  TYR  31           1HE      TYR  31   1.852   1.990   5.641
  204    HE2  TYR  31           2HE      TYR  31   4.184   5.469   4.847
  205    HH   TYR  31           HH       TYR  31   3.872   3.144   7.024
  206    H    HIS  32           H        HIS  32   2.994   3.606  -0.967
  207    HA   HIS  32           HA       HIS  32   1.145   3.262  -3.193
  208   1HB   HIS  32          2HB       HIS  32   3.602   4.989  -3.217
  209   2HB   HIS  32          1HB       HIS  32   3.139   4.118  -4.673
  210    HD2  HIS  32           2HD      HIS  32   0.310   4.741  -5.379
  211    HE1  HIS  32           1HE      HIS  32   0.836   8.704  -3.989
  212    HE2  HIS  32           2HE      HIS  32  -0.717   7.114  -5.196
  213    H    ILE  33           H        ILE  33   2.836   2.238  -5.068
  214    HA   ILE  33           HA       ILE  33   3.659  -0.214  -3.809
  215    HB   ILE  33           HB       ILE  33   4.289  -0.960  -6.068
  216   1HG1  ILE  33          2HG1      ILE  33   3.233   1.659  -7.119
  217   1HG2  ILE  33          1HG2      ILE  33   1.604   0.372  -6.178
  218   2HG2  ILE  33          2HG2      ILE  33   2.094  -1.168  -6.882
  219   3HG2  ILE  33          3HG2      ILE  33   1.933  -1.009  -5.133
  220   1HD1  ILE  33          1HD1      ILE  33   5.239   0.034  -8.560
  221   2HD1  ILE  33          2HD1      ILE  33   3.589  -0.588  -8.482
  222   3HD1  ILE  33          3HD1      ILE  33   3.898   1.004  -9.174
  223    H    HIS  34           H        HIS  34   5.184   2.729  -4.354
  224    HA   HIS  34           HA       HIS  34   7.813   1.464  -3.983
  225   1HB   HIS  34          2HB       HIS  34   8.633   3.686  -5.155
  226   2HB   HIS  34          1HB       HIS  34   8.154   2.284  -6.102
  227    HD2  HIS  34           2HD      HIS  34   5.904   5.232  -4.693
  228    HE1  HIS  34           1HE      HIS  34   5.292   4.755  -8.854
  229    HE2  HIS  34           2HE      HIS  34   4.703   6.136  -6.811
  230    H    CYS  35           H        CYS  35   5.647   2.836  -2.257
  231    HA   CYS  35           HA       CYS  35   7.455   4.755  -0.963
  232   1HB   CYS  35          2HB       CYS  35   4.443   4.737  -0.717
  233   2HB   CYS  35          1HB       CYS  35   5.558   5.987  -0.194
  234    H    LEU  36           H        LEU  36   7.573   2.004  -0.636
  235    HA   LEU  36           HA       LEU  36   7.147   1.873   2.265
  236   1HB   LEU  36          2HB       LEU  36   7.372  -0.738   0.970
  237   2HB   LEU  36          1HB       LEU  36   6.258  -0.199   2.211
  238    HG   LEU  36           HG       LEU  36   5.704   0.824  -0.497
  239   1HD1  LEU  36          1HD1      LEU  36   5.259  -1.105  -1.557
  240   2HD1  LEU  36          2HD1      LEU  36   6.452  -1.772  -0.445
  241   3HD1  LEU  36          3HD1      LEU  36   4.733  -1.917  -0.084
  242   1HD2  LEU  36          1HD2      LEU  36   4.268  -0.022   1.942
  243   2HD2  LEU  36          2HD2      LEU  36   3.999   1.365   0.887
  244   3HD2  LEU  36          3HD2      LEU  36   3.425  -0.232   0.407
  245    H    ASN  37           H        ASN  37   8.718  -0.395   2.728
  246    HA   ASN  37           HA       ASN  37  11.336   0.654   2.110
  247   1HB   ASN  37          2HB       ASN  37  10.374  -0.812   4.230
  248   2HB   ASN  37          1HB       ASN  37  11.293  -2.009   3.319
  249   1HD2  ASN  37          1HD2      ASN  37  13.116  -2.241   4.426
  250   2HD2  ASN  37          2HD2      ASN  37  14.175  -0.955   4.887
  251    HA   PRO  38           HA       PRO  38  11.652  -3.072  -0.756
  252   1HB   PRO  38          2HB       PRO  38   9.950  -5.148  -0.627
  253   2HB   PRO  38          1HB       PRO  38  11.305  -4.987   0.497
  254   1HG   PRO  38          2HG       PRO  38   8.418  -4.575   0.958
  255   2HG   PRO  38          1HG       PRO  38   9.683  -5.026   2.107
  256   1HD   PRO  38          2HD       PRO  38   8.543  -2.442   1.657
  257   2HD   PRO  38          1HD       PRO  38   9.857  -2.870   2.768
  258    HA   PRO  39           HA       PRO  39   8.480  -1.081  -3.281
  259   1HB   PRO  39          2HB       PRO  39   9.903  -1.058  -5.594
  260   2HB   PRO  39          1HB       PRO  39  10.155   0.110  -4.292
  261   1HG   PRO  39          2HG       PRO  39  11.717  -2.349  -4.963
  262   2HG   PRO  39          1HG       PRO  39  12.301  -0.750  -4.461
  263   1HD   PRO  39          2HD       PRO  39  12.129  -2.862  -2.761
  264   2HD   PRO  39          1HD       PRO  39  11.934  -1.179  -2.232
  265    H    LEU  40           H        LEU  40   6.855  -1.892  -4.455
  266    HA   LEU  40           HA       LEU  40   7.142  -4.614  -5.535
  267   1HB   LEU  40          2HB       LEU  40   4.453  -3.499  -5.594
  268   2HB   LEU  40          1HB       LEU  40   5.016  -5.021  -4.934
  269    HG   LEU  40           HG       LEU  40   5.641  -2.608  -3.340
  270   1HD1  LEU  40          1HD1      LEU  40   2.840  -3.717  -3.433
  271   2HD1  LEU  40          2HD1      LEU  40   3.440  -2.399  -2.424
  272   3HD1  LEU  40          3HD1      LEU  40   3.334  -2.192  -4.171
  273   1HD2  LEU  40          1HD2      LEU  40   6.233  -4.885  -2.626
  274   2HD2  LEU  40          2HD2      LEU  40   5.125  -4.097  -1.505
  275   3HD2  LEU  40          3HD2      LEU  40   4.522  -5.316  -2.630
  276    HA   PRO  41           HA       PRO  41   7.222  -2.720  -9.519
  277   1HB   PRO  41          2HB       PRO  41   7.025  -4.944 -11.044
  278   2HB   PRO  41          1HB       PRO  41   8.490  -4.533 -10.146
  279   1HG   PRO  41          2HG       PRO  41   6.311  -6.465  -9.445
  280   2HG   PRO  41          1HG       PRO  41   8.067  -6.656  -9.286
  281   1HD   PRO  41          2HD       PRO  41   6.440  -6.008  -7.203
  282   2HD   PRO  41          1HD       PRO  41   8.133  -5.484  -7.306
  283    H    GLU  42           H        GLU  42   4.616  -4.911  -8.650
  284    HA   GLU  42           HA       GLU  42   2.885  -3.544 -10.598
  285   1HB   GLU  42          2HB       GLU  42   1.650  -5.973  -9.957
  286   2HB   GLU  42          1HB       GLU  42   2.421  -5.543 -11.477
  287   1HG   GLU  42          2HG       GLU  42   3.557  -7.447 -11.021
  288   2HG   GLU  42          1HG       GLU  42   4.590  -6.303 -10.165
  289    H    ILE  43           H        ILE  43   0.843  -2.924  -9.924
  290    HA   ILE  43           HA       ILE  43   0.627  -2.438  -7.111
  291    HB   ILE  43           HB       ILE  43  -1.425  -1.221  -7.626
  292   1HG1  ILE  43          2HG1      ILE  43  -1.282  -1.390 -10.524
  293   1HG2  ILE  43          1HG2      ILE  43   0.536   0.057  -7.884
  294   2HG2  ILE  43          2HG2      ILE  43   0.918  -0.698  -9.430
  295   3HG2  ILE  43          3HG2      ILE  43  -0.453   0.404  -9.299
  296   1HD1  ILE  43          1HD1      ILE  43  -3.513  -1.169 -10.426
  297   2HD1  ILE  43          2HD1      ILE  43  -3.679  -2.332  -9.111
  298   3HD1  ILE  43          3HD1      ILE  43  -3.182  -0.676  -8.766
  299    HA   PRO  44           HA       PRO  44  -1.690  -6.168  -6.290
  300   1HB   PRO  44          2HB       PRO  44  -1.771  -5.269  -3.527
  301   2HB   PRO  44          1HB       PRO  44  -0.869  -6.616  -4.220
  302   1HG   PRO  44          2HG       PRO  44   0.317  -4.366  -3.250
  303   2HG   PRO  44          1HG       PRO  44   1.018  -5.360  -4.540
  304   1HD   PRO  44          2HD       PRO  44  -0.502  -2.788  -4.745
  305   2HD   PRO  44          1HD       PRO  44   0.940  -3.320  -5.637
  306    H    ASN  45           H        ASN  45  -3.642  -5.598  -7.285
  307    HA   ASN  45           HA       ASN  45  -5.359  -3.645  -6.019
  308   1HB   ASN  45          2HB       ASN  45  -5.038  -4.222  -8.593
  309   2HB   ASN  45          1HB       ASN  45  -6.351  -5.349  -8.252
  310   1HD2  ASN  45          1HD2      ASN  45  -8.374  -4.570  -7.784
  311   2HD2  ASN  45          2HD2      ASN  45  -8.816  -2.906  -7.973
  312    H    GLY  46           H        GLY  46  -6.619  -4.111  -4.400
  313   1HA   GLY  46          1HA       GLY  46  -8.687  -5.729  -4.089
  314   2HA   GLY  46          2HA       GLY  46  -7.378  -6.889  -3.897
  315    H    GLU  47           H        GLU  47  -6.742  -7.235  -1.893
  316    HA   GLU  47           HA       GLU  47  -6.967  -5.023   0.040
  317   1HB   GLU  47          2HB       GLU  47  -7.362  -7.982   0.513
  318   2HB   GLU  47          1HB       GLU  47  -7.156  -6.810   1.807
  319   1HG   GLU  47          2HG       GLU  47  -9.395  -6.815   1.780
  320   2HG   GLU  47          1HG       GLU  47  -9.162  -5.645   0.483
  321    H    TRP  48           H        TRP  48  -4.918  -4.266   0.085
  322    HA   TRP  48           HA       TRP  48  -2.756  -6.244   0.376
  323   1HB   TRP  48          2HB       TRP  48  -2.293  -4.977  -1.566
  324   2HB   TRP  48          1HB       TRP  48  -2.839  -3.478  -0.827
  325    HD1  TRP  48           HD       TRP  48   0.239  -5.685  -1.173
  326    HE1  TRP  48           1HE      TRP  48   2.260  -4.451  -0.160
  327    HE3  TRP  48           3HE      TRP  48  -2.211  -1.763   0.959
  328    HZ2  TRP  48           2HZ      TRP  48   2.740  -2.111   1.368
  329    HZ3  TRP  48           3HZ      TRP  48  -0.926  -0.077   2.168
  330    HH2  TRP  48           HH       TRP  48   1.504  -0.237   2.374
  331    H    LEU  49           H        LEU  49  -1.130  -5.798   1.961
  332    HA   LEU  49           HA       LEU  49  -1.883  -3.861   4.037
  333   1HB   LEU  49          2HB       LEU  49  -0.758  -6.451   4.946
  334   2HB   LEU  49          1HB       LEU  49  -1.945  -5.413   5.714
  335    HG   LEU  49           HG       LEU  49  -2.894  -6.761   3.273
  336   1HD1  LEU  49          1HD1      LEU  49  -2.403  -8.852   3.796
  337   2HD1  LEU  49          2HD1      LEU  49  -1.457  -8.287   5.173
  338   3HD1  LEU  49          3HD1      LEU  49  -3.172  -8.654   5.370
  339   1HD2  LEU  49          1HD2      LEU  49  -3.899  -5.818   5.861
  340   2HD2  LEU  49          2HD2      LEU  49  -4.682  -5.861   4.282
  341   3HD2  LEU  49          3HD2      LEU  49  -4.633  -7.313   5.280
  342    H    CYS  50           H        CYS  50  -0.050  -3.125   5.327
  343    HA   CYS  50           HA       CYS  50   2.226  -2.513   3.964
  344   1HB   CYS  50          2HB       CYS  50   2.538  -3.069   6.893
  345   2HB   CYS  50          1HB       CYS  50   3.179  -1.742   5.942
  346    HA   PRO  51           HA       PRO  51   4.888  -6.027   3.617
  347   1HB   PRO  51          2HB       PRO  51   7.176  -4.390   4.501
  348   2HB   PRO  51          1HB       PRO  51   6.897  -5.188   2.952
  349   1HG   PRO  51          2HG       PRO  51   6.739  -2.532   3.185
  350   2HG   PRO  51          1HG       PRO  51   5.636  -3.428   2.122
  351   1HD   PRO  51          2HD       PRO  51   5.145  -2.326   4.867
  352   2HD   PRO  51          1HD       PRO  51   4.094  -2.290   3.435
  353    H    ARG  52           H        ARG  52   3.673  -5.629   6.219
  354    HA   ARG  52           HA       ARG  52   5.423  -7.402   7.709
  355   1HB   ARG  52          2HB       ARG  52   4.169  -5.762   9.667
  356   2HB   ARG  52          1HB       ARG  52   5.888  -5.992   9.386
  357   1HG   ARG  52          2HG       ARG  52   6.122  -4.010   8.342
  358   2HG   ARG  52          1HG       ARG  52   4.528  -4.093   7.587
  359   1HD   ARG  52          2HD       ARG  52   3.972  -3.877  10.284
  360   2HD   ARG  52          1HD       ARG  52   5.359  -2.812  10.058
  361    HE   ARG  52           HE       ARG  52   3.137  -2.529   8.190
  362   1HH1  ARG  52          2HH1      ARG  52   4.837  -1.328  11.005
  363   2HH1  ARG  52          1HH1      ARG  52   4.072   0.235  10.962
  364   1HH2  ARG  52          2HH2      ARG  52   2.145  -0.490   8.091
  365   2HH2  ARG  52          1HH2      ARG  52   2.535   0.723   9.285
  366    H    CYS  53           H        CYS  53   2.330  -5.692   7.584
  367    HA   CYS  53           HA       CYS  53   0.795  -7.670   8.924
  368   1HB   CYS  53          2HB       CYS  53  -0.468  -5.805   6.984
  369   2HB   CYS  53          1HB       CYS  53  -0.891  -6.139   8.667
  370    H    THR  54           H        THR  54   1.864  -7.224   5.659
  371    HA   THR  54           HA       THR  54  -0.013  -9.106   4.533
  372    HB   THR  54           HB       THR  54   1.034  -7.095   3.314
  373    HG1  THR  54           1HG      THR  54   1.344  -9.471   1.819
  374   1HG2  THR  54          1HG2      THR  54   3.395  -8.637   3.820
  375   2HG2  THR  54          2HG2      THR  54   3.247  -7.041   3.085
  376   3HG2  THR  54          3HG2      THR  54   3.149  -8.488   2.080
  377    H    CYS  55           H        CYS  55   2.698  -9.377   6.390
  378    HA   CYS  55           HA       CYS  55   4.186 -11.015   6.909
  379   1HB   CYS  55          2HB       CYS  55   2.298 -13.024   5.734
  380   2HB   CYS  55          1HB       CYS  55   3.247 -13.121   7.215
  381    HG   CYS  55           HG       CYS  55   0.174 -11.858   6.708
  382    HA   PRO  56           HA       PRO  56   5.737 -11.445   2.523
  383   1HB   PRO  56          2HB       PRO  56   8.155 -10.298   2.999
  384   2HB   PRO  56          1HB       PRO  56   6.721  -9.375   2.538
  385   1HG   PRO  56          2HG       PRO  56   7.906  -9.801   5.253
  386   2HG   PRO  56          1HG       PRO  56   7.262  -8.314   4.531
  387   1HD   PRO  56          2HD       PRO  56   5.841  -9.809   6.280
  388   2HD   PRO  56          1HD       PRO  56   5.074  -8.902   4.963
  389    H    ALA  57           H        ALA  57   6.890 -12.261   5.693
  390    HA   ALA  57           HA       ALA  57   8.887 -14.120   4.658
  391   1HB   ALA  57          1HB       ALA  57   9.783 -13.171   6.530
  392   2HB   ALA  57          2HB       ALA  57   8.224 -13.025   7.342
  393   3HB   ALA  57          3HB       ALA  57   9.028 -14.592   7.252
  394    H    LEU  58           H        LEU  58   5.659 -14.183   4.980
  395    HA   LEU  58           HA       LEU  58   5.383 -16.868   6.057
  396   1HB   LEU  58          2HB       LEU  58   3.595 -15.448   6.638
  397   2HB   LEU  58          1HB       LEU  58   3.466 -14.799   5.017
  398    HG   LEU  58           HG       LEU  58   2.928 -17.532   4.741
  399   1HD1  LEU  58          1HD1      LEU  58   1.642 -16.372   7.199
  400   2HD1  LEU  58          2HD1      LEU  58   0.997 -17.760   6.325
  401   3HD1  LEU  58          3HD1      LEU  58   2.593 -17.851   7.068
  402   1HD2  LEU  58          1HD2      LEU  58   0.963 -15.259   4.954
  403   2HD2  LEU  58          2HD2      LEU  58   1.936 -15.608   3.527
  404   3HD2  LEU  58          3HD2      LEU  58   0.743 -16.779   4.089
  405    H    LYS  59           H        LYS  59   4.646 -18.644   4.818
  406    HA   LYS  59           HA       LYS  59   5.660 -18.677   2.124
  407   1HB   LYS  59          2HB       LYS  59   4.530 -20.706   4.005
  408   2HB   LYS  59          1HB       LYS  59   4.548 -21.077   2.287
  409   1HG   LYS  59          2HG       LYS  59   6.784 -20.858   4.205
  410   2HG   LYS  59          1HG       LYS  59   6.560 -21.950   2.839
  411   1HD   LYS  59          2HD       LYS  59   6.820 -19.622   1.520
  412   2HD   LYS  59          1HD       LYS  59   7.793 -19.263   2.947
  413   1HE   LYS  59          2HE       LYS  59   9.339 -20.906   2.469
  414   2HE   LYS  59          1HE       LYS  59   8.196 -21.847   1.510
  415   1HZ   LYS  59          1HZ       LYS  59   8.289 -19.987  -0.150
  416   2HZ   LYS  59          2HZ       LYS  59   9.720 -20.881   0.007
  417   3HZ   LYS  59          3HZ       LYS  59   9.595 -19.351   0.727
  418    H    GLY  60           H        GLY  60   4.065 -16.892   1.656
  419   1HA   GLY  60          1HA       GLY  60   1.925 -18.003   0.072
  420   2HA   GLY  60          2HA       GLY  60   1.370 -17.035   1.432
  421    H    LYS  61           H        LYS  61   4.381 -16.229   0.024
  422    HA   LYS  61           HA       LYS  61   3.148 -14.015  -1.469
  423   1HB   LYS  61          2HB       LYS  61   4.075 -13.088   0.574
  424   2HB   LYS  61          1HB       LYS  61   5.596 -13.924   0.311
  425   1HG   LYS  61          2HG       LYS  61   5.815 -11.579  -0.231
  426   2HG   LYS  61          1HG       LYS  61   5.995 -12.561  -1.687
  427   1HD   LYS  61          2HD       LYS  61   3.387 -12.116  -1.855
  428   2HD   LYS  61          1HD       LYS  61   3.817 -10.696  -0.902
  429   1HE   LYS  61          2HE       LYS  61   5.057  -9.767  -2.587
  430   2HE   LYS  61          1HE       LYS  61   5.457 -11.330  -3.300
  431   1HZ   LYS  61          1HZ       LYS  61   3.931 -10.043  -4.680
  432   2HZ   LYS  61          2HZ       LYS  61   2.791 -10.027  -3.425
  433   3HZ   LYS  61          3HZ       LYS  61   3.223 -11.494  -4.162
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -12.584  -3.235   7.584
    2   2H    GLY   1          2H        GLY   1 -11.500  -2.650   6.418
    3   3H    GLY   1          3H        GLY   1 -13.014  -3.248   5.944
    4   1HA   GLY   1          2HA       GLY   1 -13.301  -1.175   7.867
    5   2HA   GLY   1          1HA       GLY   1 -12.374  -0.630   6.475
    6    HA   PRO   2           HA       PRO   2 -16.807  -0.062   5.296
    7   1HB   PRO   2          2HB       PRO   2 -15.634   2.055   3.622
    8   2HB   PRO   2          1HB       PRO   2 -16.935   2.160   4.811
    9   1HG   PRO   2          2HG       PRO   2 -14.508   3.219   5.271
   10   2HG   PRO   2          1HG       PRO   2 -15.478   2.498   6.569
   11   1HD   PRO   2          2HD       PRO   2 -13.150   1.341   5.078
   12   2HD   PRO   2          1HD       PRO   2 -13.530   1.260   6.813
   13    H    LEU   3           H        LEU   3 -17.017  -1.876   4.082
   14    HA   LEU   3           HA       LEU   3 -17.204  -3.173   2.234
   15   1HB   LEU   3          2HB       LEU   3 -16.232  -0.730   0.753
   16   2HB   LEU   3          1HB       LEU   3 -16.780  -2.206  -0.018
   17    HG   LEU   3           HG       LEU   3 -18.811  -1.344   1.785
   18   1HD1  LEU   3          1HD1      LEU   3 -19.276   0.844   1.185
   19   2HD1  LEU   3          2HD1      LEU   3 -17.522   0.859   1.379
   20   3HD1  LEU   3          3HD1      LEU   3 -18.229   0.786  -0.234
   21   1HD2  LEU   3          1HD2      LEU   3 -20.118  -1.205  -0.313
   22   2HD2  LEU   3          2HD2      LEU   3 -18.624  -1.435  -1.223
   23   3HD2  LEU   3          3HD2      LEU   3 -19.213  -2.712  -0.158
   24    H    GLY   4           H        GLY   4 -14.371  -1.236   1.346
   25   1HA   GLY   4          1HA       GLY   4 -12.755  -3.706   1.505
   26   2HA   GLY   4          2HA       GLY   4 -12.377  -2.354   0.442
   27    H    SER   5           H        SER   5 -10.408  -1.781   1.256
   28    HA   SER   5           HA       SER   5 -10.194  -1.242   4.122
   29   1HB   SER   5          2HB       SER   5  -7.910  -0.836   2.244
   30   2HB   SER   5          1HB       SER   5  -7.910  -1.460   3.894
   31    HG   SER   5           HG       SER   5  -8.833  -3.400   3.090
   32    H    ASP   6           H        ASP   6 -11.921   0.507   2.989
   33    HA   ASP   6           HA       ASP   6 -10.521   2.898   2.168
   34   1HB   ASP   6          2HB       ASP   6 -12.985   2.019   1.558
   35   2HB   ASP   6          1HB       ASP   6 -13.389   3.066   2.916
   36    H    HIS   7           H        HIS   7  -9.378   2.476   4.378
   37    HA   HIS   7           HA       HIS   7 -10.514   4.424   6.254
   38   1HB   HIS   7          2HB       HIS   7  -9.765   3.099   8.172
   39   2HB   HIS   7          1HB       HIS   7 -10.886   2.158   7.200
   40    HD2  HIS   7           2HD      HIS   7  -8.683   0.977   5.045
   41    HE1  HIS   7           1HE      HIS   7  -6.835  -0.556   8.519
   42    HE2  HIS   7           2HE      HIS   7  -6.821  -0.563   5.985
   43    H    HIS   8           H        HIS   8  -8.658   4.593   4.099
   44    HA   HIS   8           HA       HIS   8  -6.189   5.210   5.557
   45   1HB   HIS   8          2HB       HIS   8  -6.717   4.101   2.858
   46   2HB   HIS   8          1HB       HIS   8  -5.357   5.207   3.016
   47    HD2  HIS   8           2HD      HIS   8  -6.511   1.984   5.026
   48    HE1  HIS   8           1HE      HIS   8  -2.328   2.010   4.504
   49    HE2  HIS   8           2HE      HIS   8  -4.272   0.873   5.661
   50    H    MET   9           H        MET   9  -5.050   7.053   4.984
   51    HA   MET   9           HA       MET   9  -6.641   9.375   4.590
   52   1HB   MET   9          2HB       MET   9  -3.639   9.028   4.695
   53   2HB   MET   9          1HB       MET   9  -4.466  10.579   4.709
   54   1HG   MET   9          2HG       MET   9  -5.281   8.611   6.757
   55   2HG   MET   9          1HG       MET   9  -3.678   9.326   6.924
   56   1HE   MET   9          1HE       MET   9  -6.048  10.318   9.427
   57   2HE   MET   9          2HE       MET   9  -7.443  10.725   8.426
   58   3HE   MET   9          3HE       MET   9  -6.636   9.171   8.223
   59    H    GLU  10           H        GLU  10  -5.791  11.120   3.020
   60    HA   GLU  10           HA       GLU  10  -5.839   9.873   0.365
   61   1HB   GLU  10          2HB       GLU  10  -6.722  12.059  -0.388
   62   2HB   GLU  10          1HB       GLU  10  -7.701  11.331   0.878
   63   1HG   GLU  10          2HG       GLU  10  -5.587  13.261   1.670
   64   2HG   GLU  10          1HG       GLU  10  -7.060  13.881   0.923
   65    H    PHE  11           H        PHE  11  -3.531  11.111   2.326
   66    HA   PHE  11           HA       PHE  11  -2.040  12.258   0.061
   67   1HB   PHE  11          2HB       PHE  11  -0.877  13.698   1.732
   68   2HB   PHE  11          1HB       PHE  11  -2.585  14.059   1.535
   69    HD1  PHE  11           1HD      PHE  11   0.021  13.028   3.795
   70    HD2  PHE  11           2HD      PHE  11  -4.201  13.338   3.306
   71    HE1  PHE  11           1HE      PHE  11  -0.272  12.826   6.226
   72    HE2  PHE  11           2HE      PHE  11  -4.496  13.132   5.739
   73    HZ   PHE  11           HZ       PHE  11  -2.532  12.869   7.202
   74    H    CYS  12           H        CYS  12  -1.966   9.566   0.741
   75    HA   CYS  12           HA       CYS  12  -0.588   7.823   1.252
   76   1HB   CYS  12          2HB       CYS  12   0.495   8.734  -0.759
   77   2HB   CYS  12          1HB       CYS  12   1.444   9.833   0.233
   78    HG   CYS  12           HG       CYS  12   2.891   7.603  -0.872
   79    H    ARG  13           H        ARG  13   2.224   9.561   1.902
   80    HA   ARG  13           HA       ARG  13   2.000  10.273   4.576
   81   1HB   ARG  13          2HB       ARG  13   1.693   7.745   4.774
   82   2HB   ARG  13          1HB       ARG  13   3.353   7.589   4.237
   83   1HG   ARG  13          2HG       ARG  13   4.203   8.244   6.213
   84   2HG   ARG  13          1HG       ARG  13   2.903   9.397   6.519
   85   1HD   ARG  13          2HD       ARG  13   2.822   6.408   6.863
   86   2HD   ARG  13          1HD       ARG  13   2.748   7.632   8.130
   87    HE   ARG  13           HE       ARG  13   0.627   7.153   6.136
   88   1HH1  ARG  13          2HH1      ARG  13   1.687   8.201   9.302
   89   2HH1  ARG  13          1HH1      ARG  13   0.074   8.480   9.891
   90   1HH2  ARG  13          2HH2      ARG  13  -1.493   7.546   6.894
   91   2HH2  ARG  13          1HH2      ARG  13  -1.736   8.139   8.510
   92    H    VAL  14           H        VAL  14   4.144   8.452   2.482
   93    HA   VAL  14           HA       VAL  14   6.453  10.068   3.037
   94    HB   VAL  14           HB       VAL  14   6.242   8.197   0.701
   95   1HG1  VAL  14          1HG1      VAL  14   8.351   9.157   0.801
   96   2HG1  VAL  14          2HG1      VAL  14   8.401   9.109   2.564
   97   3HG1  VAL  14          3HG1      VAL  14   8.568   7.618   1.637
   98   1HG2  VAL  14          1HG2      VAL  14   5.266   6.796   2.233
   99   2HG2  VAL  14          2HG2      VAL  14   6.978   6.424   2.449
  100   3HG2  VAL  14          3HG2      VAL  14   6.154   7.484   3.594
  101    H    CYS  15           H        CYS  15   4.151   9.653   0.420
  102    HA   CYS  15           HA       CYS  15   5.440  11.515  -1.326
  103   1HB   CYS  15          2HB       CYS  15   2.726  10.199  -1.467
  104   2HB   CYS  15          1HB       CYS  15   3.481  11.109  -2.765
  105    H    LYS  16           H        LYS  16   2.934  11.677   1.049
  106    HA   LYS  16           HA       LYS  16   1.607  13.326   1.852
  107   1HB   LYS  16          2HB       LYS  16   3.283  15.173   0.132
  108   2HB   LYS  16          1HB       LYS  16   2.106  15.693   1.330
  109   1HG   LYS  16          2HG       LYS  16   3.466  15.222   3.079
  110   2HG   LYS  16          1HG       LYS  16   4.244  13.868   2.257
  111   1HD   LYS  16          2HD       LYS  16   4.693  16.744   1.479
  112   2HD   LYS  16          1HD       LYS  16   5.688  15.908   2.670
  113   1HE   LYS  16          2HE       LYS  16   5.269  14.677  -0.019
  114   2HE   LYS  16          1HE       LYS  16   6.414  16.007   0.158
  115   1HZ   LYS  16          1HZ       LYS  16   6.845  13.329   0.705
  116   2HZ   LYS  16          2HZ       LYS  16   6.819  14.107   2.212
  117   3HZ   LYS  16          3HZ       LYS  16   7.897  14.623   1.008
  118    H    ASP  17           H        ASP  17   1.386  11.901  -0.795
  119    HA   ASP  17           HA       ASP  17  -1.179  12.315  -1.377
  120   1HB   ASP  17          2HB       ASP  17  -0.197  14.668  -2.139
  121   2HB   ASP  17          1HB       ASP  17   0.190  13.776  -3.607
  122    H    GLY  18           H        GLY  18  -0.594  12.369  -4.444
  123   1HA   GLY  18          1HA       GLY  18   0.836  10.757  -5.735
  124   2HA   GLY  18          2HA       GLY  18   0.372   9.576  -4.514
  125    H    GLY  19           H        GLY  19  -2.297  11.285  -4.738
  126   1HA   GLY  19          1HA       GLY  19  -4.273  11.115  -5.888
  127   2HA   GLY  19          2HA       GLY  19  -3.395  10.411  -7.236
  128    H    GLU  20           H        GLU  20  -2.809   8.155  -7.059
  129    HA   GLU  20           HA       GLU  20  -4.914   6.487  -6.033
  130   1HB   GLU  20          2HB       GLU  20  -2.436   6.162  -7.603
  131   2HB   GLU  20          1HB       GLU  20  -2.851   4.791  -6.584
  132   1HG   GLU  20          2HG       GLU  20  -4.350   4.121  -8.066
  133   2HG   GLU  20          1HG       GLU  20  -5.196   5.664  -7.946
  134    H    LEU  21           H        LEU  21  -4.219   4.561  -4.552
  135    HA   LEU  21           HA       LEU  21  -2.022   5.057  -2.797
  136   1HB   LEU  21          2HB       LEU  21  -4.757   5.870  -2.008
  137   2HB   LEU  21          1HB       LEU  21  -3.794   5.041  -0.795
  138    HG   LEU  21           HG       LEU  21  -2.541   7.282  -2.281
  139   1HD1  LEU  21          1HD1      LEU  21  -3.906   8.146   0.143
  140   2HD1  LEU  21          2HD1      LEU  21  -3.747   8.940  -1.426
  141   3HD1  LEU  21          3HD1      LEU  21  -4.998   7.721  -1.176
  142   1HD2  LEU  21          1HD2      LEU  21  -1.672   5.644  -0.347
  143   2HD2  LEU  21          2HD2      LEU  21  -1.083   7.290  -0.570
  144   3HD2  LEU  21          3HD2      LEU  21  -2.324   6.955   0.638
  145    H    LEU  22           H        LEU  22  -1.367   3.312  -1.743
  146    HA   LEU  22           HA       LEU  22  -2.972   0.874  -2.020
  147   1HB   LEU  22          2HB       LEU  22  -0.208   1.370  -2.264
  148   2HB   LEU  22          1HB       LEU  22  -0.406   0.467  -0.773
  149    HG   LEU  22           HG       LEU  22  -1.431  -1.366  -1.919
  150   1HD1  LEU  22          1HD1      LEU  22  -1.987   0.636  -3.921
  151   2HD1  LEU  22          2HD1      LEU  22  -1.251  -0.797  -4.637
  152   3HD1  LEU  22          3HD1      LEU  22  -2.722  -0.949  -3.677
  153   1HD2  LEU  22          1HD2      LEU  22   0.596  -2.084  -2.436
  154   2HD2  LEU  22          2HD2      LEU  22   0.519  -1.205  -3.963
  155   3HD2  LEU  22          3HD2      LEU  22   1.178  -0.422  -2.527
  156    H    CYS  23           H        CYS  23  -4.032   0.120  -0.341
  157    HA   CYS  23           HA       CYS  23  -3.520   1.371   2.278
  158   1HB   CYS  23          2HB       CYS  23  -6.185   0.260   1.455
  159   2HB   CYS  23          1HB       CYS  23  -5.825   1.523   2.626
  160    HG   CYS  23           HG       CYS  23  -4.996   2.286  -0.535
  161    H    CYS  24           H        CYS  24  -3.141   0.041   3.990
  162    HA   CYS  24           HA       CYS  24  -3.149  -2.801   3.665
  163   1HB   CYS  24          2HB       CYS  24  -1.590  -1.725   5.273
  164   2HB   CYS  24          1HB       CYS  24  -2.966  -1.226   6.240
  165    H    ASP  25           H        ASP  25  -4.624  -4.254   4.569
  166    HA   ASP  25           HA       ASP  25  -7.305  -3.195   4.829
  167   1HB   ASP  25          2HB       ASP  25  -6.690  -5.356   3.599
  168   2HB   ASP  25          1HB       ASP  25  -6.489  -6.077   5.193
  169    H    THR  26           H        THR  26  -4.717  -3.737   6.841
  170    HA   THR  26           HA       THR  26  -6.465  -4.057   9.189
  171    HB   THR  26           HB       THR  26  -3.716  -4.461   9.861
  172    HG1  THR  26           1HG      THR  26  -3.657  -5.057   7.542
  173   1HG2  THR  26          1HG2      THR  26  -5.525  -6.778   9.732
  174   2HG2  THR  26          2HG2      THR  26  -6.133  -5.401  10.650
  175   3HG2  THR  26          3HG2      THR  26  -4.593  -6.140  11.087
  176    H    CYS  27           H        CYS  27  -3.506  -2.458   8.042
  177    HA   CYS  27           HA       CYS  27  -3.737  -0.512  10.219
  178   1HB   CYS  27          2HB       CYS  27  -1.462  -0.639   8.267
  179   2HB   CYS  27          1HB       CYS  27  -1.458  -0.086   9.939
  180    HA   PRO  28           HA       PRO  28  -4.806   2.605   7.219
  181   1HB   PRO  28          2HB       PRO  28  -4.861   4.705   8.858
  182   2HB   PRO  28          1HB       PRO  28  -5.970   3.349   9.090
  183   1HG   PRO  28          2HG       PRO  28  -3.582   4.121  10.657
  184   2HG   PRO  28          1HG       PRO  28  -5.022   3.227  11.168
  185   1HD   PRO  28          2HD       PRO  28  -2.466   2.173  10.379
  186   2HD   PRO  28          1HD       PRO  28  -3.911   1.275  10.889
  187    H    SER  29           H        SER  29  -1.863   1.932   7.455
  188    HA   SER  29           HA       SER  29  -0.574   4.540   7.330
  189   1HB   SER  29          2HB       SER  29   1.139   2.334   6.588
  190   2HB   SER  29          1HB       SER  29   1.254   3.416   7.976
  191    HG   SER  29           HG       SER  29   0.630   0.884   8.018
  192    H    SER  30           H        SER  30  -1.538   5.390   5.491
  193    HA   SER  30           HA       SER  30  -1.779   4.052   3.060
  194   1HB   SER  30          2HB       SER  30  -1.600   7.012   3.004
  195   2HB   SER  30          1HB       SER  30  -2.846   5.937   2.367
  196    HG   SER  30           HG       SER  30  -3.452   5.558   4.600
  197    H    TYR  31           H        TYR  31  -0.422   3.596   1.520
  198    HA   TYR  31           HA       TYR  31   1.997   5.224   1.116
  199   1HB   TYR  31          2HB       TYR  31   1.861   2.235   1.562
  200   2HB   TYR  31          1HB       TYR  31   3.224   3.003   0.758
  201    HD1  TYR  31           1HD      TYR  31   2.482   1.536   3.662
  202    HD2  TYR  31           2HD      TYR  31   3.810   5.339   2.296
  203    HE1  TYR  31           1HE      TYR  31   3.526   1.950   5.850
  204    HE2  TYR  31           2HE      TYR  31   4.859   5.761   4.478
  205    HH   TYR  31           HH       TYR  31   5.269   4.994   6.508
  206    H    HIS  32           H        HIS  32   3.123   3.670  -0.861
  207    HA   HIS  32           HA       HIS  32   1.006   3.158  -2.826
  208   1HB   HIS  32          2HB       HIS  32   3.495   4.805  -3.245
  209   2HB   HIS  32          1HB       HIS  32   2.737   3.956  -4.584
  210    HD2  HIS  32           2HD      HIS  32   0.170   4.882  -5.286
  211    HE1  HIS  32           1HE      HIS  32   0.634   8.552  -3.241
  212    HE2  HIS  32           2HE      HIS  32  -0.883   7.181  -4.725
  213    H    ILE  33           H        ILE  33   3.833   2.815  -4.405
  214    HA   ILE  33           HA       ILE  33   4.187   0.060  -3.428
  215    HB   ILE  33           HB       ILE  33   5.079  -0.387  -5.772
  216   1HG1  ILE  33          2HG1      ILE  33   3.461   2.074  -6.456
  217   1HG2  ILE  33          1HG2      ILE  33   2.779  -0.672  -6.683
  218   2HG2  ILE  33          2HG2      ILE  33   2.994  -1.300  -5.049
  219   3HG2  ILE  33          3HG2      ILE  33   2.175   0.240  -5.299
  220   1HD1  ILE  33          1HD1      ILE  33   5.132   1.690  -8.522
  221   2HD1  ILE  33          2HD1      ILE  33   4.851   0.020  -8.023
  222   3HD1  ILE  33          3HD1      ILE  33   3.487   1.054  -8.450
  223    H    HIS  34           H        HIS  34   5.684   3.040  -3.573
  224    HA   HIS  34           HA       HIS  34   8.317   1.756  -3.324
  225   1HB   HIS  34          2HB       HIS  34   9.383   3.353  -4.673
  226   2HB   HIS  34          1HB       HIS  34   7.909   2.966  -5.550
  227    HD2  HIS  34           2HD      HIS  34   5.803   5.041  -4.403
  228    HE1  HIS  34           1HE      HIS  34   8.787   7.971  -5.052
  229    HE2  HIS  34           2HE      HIS  34   6.298   7.548  -4.877
  230    H    CYS  35           H        CYS  35   6.016   3.588  -1.840
  231    HA   CYS  35           HA       CYS  35   7.658   5.495  -0.490
  232   1HB   CYS  35          2HB       CYS  35   4.991   4.720   0.589
  233   2HB   CYS  35          1HB       CYS  35   5.643   6.322   0.235
  234    H    LEU  36           H        LEU  36   6.826   2.235  -0.041
  235    HA   LEU  36           HA       LEU  36   7.578   2.160   2.777
  236   1HB   LEU  36          2HB       LEU  36   7.272  -0.437   2.121
  237   2HB   LEU  36          1HB       LEU  36   5.957   0.591   2.651
  238    HG   LEU  36           HG       LEU  36   6.421   0.632  -0.251
  239   1HD1  LEU  36          1HD1      LEU  36   5.588  -1.524  -0.731
  240   2HD1  LEU  36          2HD1      LEU  36   6.922  -1.751   0.401
  241   3HD1  LEU  36          3HD1      LEU  36   5.253  -1.855   0.968
  242   1HD2  LEU  36          1HD2      LEU  36   4.258   1.170  -0.264
  243   2HD2  LEU  36          2HD2      LEU  36   3.825  -0.181   0.790
  244   3HD2  LEU  36          3HD2      LEU  36   4.415   1.332   1.486
  245    H    ASN  37           H        ASN  37   8.914  -0.245   2.947
  246    HA   ASN  37           HA       ASN  37  11.498   0.549   1.967
  247   1HB   ASN  37          2HB       ASN  37  11.491  -0.319   4.175
  248   2HB   ASN  37          1HB       ASN  37  10.587  -1.750   3.691
  249   1HD2  ASN  37          1HD2      ASN  37  13.554  -0.123   2.577
  250   2HD2  ASN  37          2HD2      ASN  37  14.534  -1.551   2.594
  251    HA   PRO  38           HA       PRO  38  11.294  -3.325  -0.722
  252   1HB   PRO  38          2HB       PRO  38   9.293  -5.103  -0.564
  253   2HB   PRO  38          1HB       PRO  38  10.628  -5.107   0.592
  254   1HG   PRO  38          2HG       PRO  38   7.838  -4.145   0.923
  255   2HG   PRO  38          1HG       PRO  38   8.921  -4.885   2.111
  256   1HD   PRO  38          2HD       PRO  38   8.379  -2.148   1.822
  257   2HD   PRO  38          1HD       PRO  38   9.691  -2.864   2.774
  258    HA   PRO  39           HA       PRO  39   8.530  -0.968  -3.429
  259   1HB   PRO  39          2HB       PRO  39  10.007  -1.370  -5.694
  260   2HB   PRO  39          1HB       PRO  39  10.350  -0.107  -4.507
  261   1HG   PRO  39          2HG       PRO  39  11.629  -2.789  -4.845
  262   2HG   PRO  39          1HG       PRO  39  12.383  -1.228  -4.475
  263   1HD   PRO  39          2HD       PRO  39  11.912  -3.092  -2.577
  264   2HD   PRO  39          1HD       PRO  39  11.836  -1.352  -2.236
  265    H    LEU  40           H        LEU  40   6.771  -1.727  -4.353
  266    HA   LEU  40           HA       LEU  40   6.741  -4.484  -5.369
  267   1HB   LEU  40          2HB       LEU  40   4.272  -2.838  -4.971
  268   2HB   LEU  40          1HB       LEU  40   4.459  -4.581  -4.923
  269    HG   LEU  40           HG       LEU  40   5.744  -2.896  -2.807
  270   1HD1  LEU  40          1HD1      LEU  40   3.074  -2.638  -3.299
  271   2HD1  LEU  40          2HD1      LEU  40   3.106  -3.962  -2.134
  272   3HD1  LEU  40          3HD1      LEU  40   3.843  -2.412  -1.727
  273   1HD2  LEU  40          1HD2      LEU  40   6.263  -4.887  -1.982
  274   2HD2  LEU  40          2HD2      LEU  40   4.551  -5.306  -1.894
  275   3HD2  LEU  40          3HD2      LEU  40   5.471  -5.662  -3.357
  276    HA   PRO  41           HA       PRO  41   6.777  -2.525  -9.349
  277   1HB   PRO  41          2HB       PRO  41   6.663  -4.782 -10.856
  278   2HB   PRO  41          1HB       PRO  41   8.131  -4.247 -10.030
  279   1HG   PRO  41          2HG       PRO  41   6.147  -6.329  -9.210
  280   2HG   PRO  41          1HG       PRO  41   7.917  -6.370  -9.121
  281   1HD   PRO  41          2HD       PRO  41   6.348  -5.834  -6.976
  282   2HD   PRO  41          1HD       PRO  41   7.973  -5.146  -7.176
  283    H    GLU  42           H        GLU  42   4.304  -4.779  -8.334
  284    HA   GLU  42           HA       GLU  42   2.490  -3.611 -10.340
  285   1HB   GLU  42          2HB       GLU  42   2.585  -6.423  -9.246
  286   2HB   GLU  42          1HB       GLU  42   1.202  -5.785 -10.127
  287   1HG   GLU  42          2HG       GLU  42   2.178  -6.428 -12.003
  288   2HG   GLU  42          1HG       GLU  42   3.433  -5.221 -11.719
  289    H    ILE  43           H        ILE  43   0.580  -2.815  -9.643
  290    HA   ILE  43           HA       ILE  43   0.271  -2.532  -6.774
  291    HB   ILE  43           HB       ILE  43  -1.698  -1.082  -7.389
  292   1HG1  ILE  43          2HG1      ILE  43  -0.892  -0.509 -10.071
  293   1HG2  ILE  43          1HG2      ILE  43   0.624   0.044  -8.830
  294   2HG2  ILE  43          2HG2      ILE  43  -0.344   0.727  -7.523
  295   3HG2  ILE  43          3HG2      ILE  43   0.892  -0.479  -7.167
  296   1HD1  ILE  43          1HD1      ILE  43  -3.435  -1.698  -8.996
  297   2HD1  ILE  43          2HD1      ILE  43  -3.094   0.015  -9.241
  298   3HD1  ILE  43          3HD1      ILE  43  -3.210  -1.069 -10.627
  299    HA   PRO  44           HA       PRO  44  -2.600  -5.928  -6.610
  300   1HB   PRO  44          2HB       PRO  44  -2.951  -5.219  -3.801
  301   2HB   PRO  44          1HB       PRO  44  -2.181  -6.646  -4.499
  302   1HG   PRO  44          2HG       PRO  44  -0.792  -4.714  -3.193
  303   2HG   PRO  44          1HG       PRO  44  -0.098  -5.674  -4.513
  304   1HD   PRO  44          2HD       PRO  44  -1.219  -2.895  -4.578
  305   2HD   PRO  44          1HD       PRO  44   0.243  -3.540  -5.358
  306    H    ASN  45           H        ASN  45  -4.513  -5.477  -7.550
  307    HA   ASN  45           HA       ASN  45  -6.112  -3.243  -6.642
  308   1HB   ASN  45          2HB       ASN  45  -5.835  -3.818  -9.068
  309   2HB   ASN  45          1HB       ASN  45  -6.783  -5.272  -8.778
  310   1HD2  ASN  45          1HD2      ASN  45  -8.370  -4.621 -10.205
  311   2HD2  ASN  45          2HD2      ASN  45  -9.490  -3.351  -9.832
  312    H    GLY  46           H        GLY  46  -6.487  -4.088  -4.508
  313   1HA   GLY  46          1HA       GLY  46  -9.010  -5.037  -4.022
  314   2HA   GLY  46          2HA       GLY  46  -8.021  -6.486  -4.150
  315    H    GLU  47           H        GLU  47  -8.006  -7.148  -2.061
  316    HA   GLU  47           HA       GLU  47  -7.299  -5.265   0.043
  317   1HB   GLU  47          2HB       GLU  47  -7.360  -7.486   1.429
  318   2HB   GLU  47          1HB       GLU  47  -8.856  -6.721   0.919
  319   1HG   GLU  47          2HG       GLU  47  -7.793  -8.675  -0.983
  320   2HG   GLU  47          1HG       GLU  47  -8.248  -9.343   0.585
  321    H    TRP  48           H        TRP  48  -5.276  -4.820   0.478
  322    HA   TRP  48           HA       TRP  48  -3.231  -6.894   0.039
  323   1HB   TRP  48          2HB       TRP  48  -2.768  -5.456  -1.731
  324   2HB   TRP  48          1HB       TRP  48  -3.311  -4.035  -0.854
  325    HD1  TRP  48           HD       TRP  48  -0.235  -6.283  -1.298
  326    HE1  TRP  48           1HE      TRP  48   1.832  -5.007  -0.436
  327    HE3  TRP  48           3HE      TRP  48  -2.577  -2.233   0.750
  328    HZ2  TRP  48           2HZ      TRP  48   2.388  -2.587   0.923
  329    HZ3  TRP  48           3HZ      TRP  48  -1.213  -0.492   1.807
  330    HH2  TRP  48           HH       TRP  48   1.214  -0.662   1.899
  331    H    LEU  49           H        LEU  49  -1.850  -7.176   1.699
  332    HA   LEU  49           HA       LEU  49  -2.362  -5.588   4.093
  333   1HB   LEU  49          2HB       LEU  49  -0.976  -8.231   3.657
  334   2HB   LEU  49          1HB       LEU  49  -0.962  -7.394   5.196
  335    HG   LEU  49           HG       LEU  49  -3.276  -8.695   3.800
  336   1HD1  LEU  49          1HD1      LEU  49  -3.393 -10.054   5.628
  337   2HD1  LEU  49          2HD1      LEU  49  -1.659  -9.729   5.599
  338   3HD1  LEU  49          3HD1      LEU  49  -2.704  -8.843   6.711
  339   1HD2  LEU  49          1HD2      LEU  49  -4.687  -7.126   4.487
  340   2HD2  LEU  49          2HD2      LEU  49  -4.212  -7.475   6.150
  341   3HD2  LEU  49          3HD2      LEU  49  -3.372  -6.220   5.238
  342    H    CYS  50           H        CYS  50  -0.973  -4.156   4.841
  343    HA   CYS  50           HA       CYS  50   0.987  -3.119   3.260
  344   1HB   CYS  50          2HB       CYS  50   1.458  -1.615   5.006
  345   2HB   CYS  50          1HB       CYS  50  -0.228  -2.064   5.222
  346    HA   PRO  51           HA       PRO  51   4.783  -5.158   3.393
  347   1HB   PRO  51          2HB       PRO  51   6.553  -3.267   4.433
  348   2HB   PRO  51          1HB       PRO  51   6.071  -3.424   2.742
  349   1HG   PRO  51          2HG       PRO  51   5.015  -1.593   4.854
  350   2HG   PRO  51          1HG       PRO  51   5.308  -1.274   3.132
  351   1HD   PRO  51          2HD       PRO  51   2.835  -1.682   4.024
  352   2HD   PRO  51          1HD       PRO  51   3.360  -2.376   2.473
  353    H    ARG  52           H        ARG  52   3.962  -3.622   6.456
  354    HA   ARG  52           HA       ARG  52   5.850  -5.345   7.863
  355   1HB   ARG  52          2HB       ARG  52   4.763  -4.178   9.918
  356   2HB   ARG  52          1HB       ARG  52   5.887  -3.288   8.905
  357   1HG   ARG  52          2HG       ARG  52   3.093  -3.060   8.082
  358   2HG   ARG  52          1HG       ARG  52   3.440  -2.412   9.685
  359   1HD   ARG  52          2HD       ARG  52   5.008  -1.713   7.209
  360   2HD   ARG  52          1HD       ARG  52   3.656  -0.759   7.819
  361    HE   ARG  52           HE       ARG  52   6.330  -0.956   8.951
  362   1HH1  ARG  52          2HH1      ARG  52   3.001   0.082   9.403
  363   2HH1  ARG  52          1HH1      ARG  52   3.404   1.242  10.637
  364   1HH2  ARG  52          2HH2      ARG  52   6.849   0.600  10.569
  365   2HH2  ARG  52          1HH2      ARG  52   5.564   1.520  11.307
  366    H    CYS  53           H        CYS  53   2.723  -5.511   6.710
  367    HA   CYS  53           HA       CYS  53   1.814  -7.335   8.791
  368   1HB   CYS  53          2HB       CYS  53   0.542  -5.995   6.457
  369   2HB   CYS  53          1HB       CYS  53  -0.132  -7.534   6.989
  370    H    THR  54           H        THR  54   3.930  -7.560   6.371
  371    HA   THR  54           HA       THR  54   3.146 -10.082   5.210
  372    HB   THR  54           HB       THR  54   5.442 -10.158   4.306
  373    HG1  THR  54           1HG      THR  54   6.023  -7.593   5.283
  374   1HG2  THR  54          1HG2      THR  54   3.555  -8.013   3.842
  375   2HG2  THR  54          2HG2      THR  54   4.495  -8.957   2.688
  376   3HG2  THR  54          3HG2      THR  54   5.204  -7.532   3.447
  377    H    CYS  55           H        CYS  55   5.252  -8.906   7.750
  378    HA   CYS  55           HA       CYS  55   5.135 -11.486   9.087
  379   1HB   CYS  55          2HB       CYS  55   7.712 -10.050   8.404
  380   2HB   CYS  55          1HB       CYS  55   7.598 -11.381   9.550
  381    HG   CYS  55           HG       CYS  55   6.264 -12.246   6.655
  382    HA   PRO  56           HA       PRO  56   4.088  -8.525  12.302
  383   1HB   PRO  56          2HB       PRO  56   4.604 -10.390  14.349
  384   2HB   PRO  56          1HB       PRO  56   3.041 -10.047  13.604
  385   1HG   PRO  56          2HG       PRO  56   4.962 -12.250  13.056
  386   2HG   PRO  56          1HG       PRO  56   3.192 -12.249  12.965
  387   1HD   PRO  56          2HD       PRO  56   4.712 -12.200  10.754
  388   2HD   PRO  56          1HD       PRO  56   3.178 -11.306  10.845
  389    H    ALA  57           H        ALA  57   6.906 -10.652  12.542
  390    HA   ALA  57           HA       ALA  57   8.458  -8.342  13.461
  391   1HB   ALA  57          1HB       ALA  57   9.038 -11.107  14.489
  392   2HB   ALA  57          2HB       ALA  57   9.657  -9.562  15.073
  393   3HB   ALA  57          3HB       ALA  57   7.969  -9.996  15.344
  394    H    LEU  58           H        LEU  58   8.995  -8.132  11.239
  395    HA   LEU  58           HA       LEU  58  10.066 -10.129   9.608
  396   1HB   LEU  58          2HB       LEU  58  10.413  -7.140   9.650
  397   2HB   LEU  58          1HB       LEU  58  11.222  -8.138   8.459
  398    HG   LEU  58           HG       LEU  58   8.434  -8.805   8.502
  399   1HD1  LEU  58          1HD1      LEU  58   8.006  -6.610   9.384
  400   2HD1  LEU  58          2HD1      LEU  58   9.079  -5.875   8.192
  401   3HD1  LEU  58          3HD1      LEU  58   7.570  -6.630   7.675
  402   1HD2  LEU  58          1HD2      LEU  58   9.192  -9.228   6.450
  403   2HD2  LEU  58          2HD2      LEU  58   8.994  -7.504   6.136
  404   3HD2  LEU  58          3HD2      LEU  58  10.561  -8.134   6.644
  405    H    LYS  59           H        LYS  59  11.856  -7.558  11.292
  406    HA   LYS  59           HA       LYS  59  13.767  -9.361  12.360
  407   1HB   LYS  59          2HB       LYS  59  15.744  -8.266  11.133
  408   2HB   LYS  59          1HB       LYS  59  14.821  -9.490  10.274
  409   1HG   LYS  59          2HG       LYS  59  14.542  -8.059   8.609
  410   2HG   LYS  59          1HG       LYS  59  13.604  -7.024   9.688
  411   1HD   LYS  59          2HD       LYS  59  15.544  -5.895   8.561
  412   2HD   LYS  59          1HD       LYS  59  15.547  -5.794  10.321
  413   1HE   LYS  59          2HE       LYS  59  16.931  -8.152   9.588
  414   2HE   LYS  59          1HE       LYS  59  17.549  -6.839   8.592
  415   1HZ   LYS  59          1HZ       LYS  59  17.671  -7.185  11.502
  416   2HZ   LYS  59          2HZ       LYS  59  17.587  -5.607  10.889
  417   3HZ   LYS  59          3HZ       LYS  59  18.859  -6.631  10.427
  418    H    GLY  60           H        GLY  60  13.804  -8.461  14.310
  419   1HA   GLY  60          1HA       GLY  60  13.714  -5.583  14.676
  420   2HA   GLY  60          2HA       GLY  60  13.863  -6.795  15.944
  421    H    LYS  61           H        LYS  61  16.035  -8.173  15.300
  422    HA   LYS  61           HA       LYS  61  18.199  -6.212  15.488
  423   1HB   LYS  61          2HB       LYS  61  17.796  -8.992  16.408
  424   2HB   LYS  61          1HB       LYS  61  19.415  -8.605  15.846
  425   1HG   LYS  61          2HG       LYS  61  19.884  -7.575  17.746
  426   2HG   LYS  61          1HG       LYS  61  18.471  -6.529  17.581
  427   1HD   LYS  61          2HD       LYS  61  17.095  -8.022  18.754
  428   2HD   LYS  61          1HD       LYS  61  18.231  -9.357  18.560
  429   1HE   LYS  61          2HE       LYS  61  18.386  -8.630  20.818
  430   2HE   LYS  61          1HE       LYS  61  19.839  -8.072  19.991
  431   1HZ   LYS  61          1HZ       LYS  61  19.222  -5.908  20.164
  432   2HZ   LYS  61          2HZ       LYS  61  18.397  -6.491  21.525
  433   3HZ   LYS  61          3HZ       LYS  61  17.561  -6.240  20.069
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -11.325   4.154   5.566
    2   2H    GLY   1          2H        GLY   1 -11.223   5.187   4.224
    3   3H    GLY   1          3H        GLY   1 -10.745   3.568   4.085
    4   1HA   GLY   1          2HA       GLY   1 -12.810   2.810   3.804
    5   2HA   GLY   1          1HA       GLY   1 -13.454   3.926   5.001
    6    HA   PRO   2           HA       PRO   2 -14.208   5.425   0.565
    7   1HB   PRO   2          2HB       PRO   2 -16.844   4.236   0.498
    8   2HB   PRO   2          1HB       PRO   2 -15.479   3.950  -0.580
    9   1HG   PRO   2          2HG       PRO   2 -16.440   2.086   1.168
   10   2HG   PRO   2          1HG       PRO   2 -14.760   2.133   0.607
   11   1HD   PRO   2          2HD       PRO   2 -15.928   3.111   3.184
   12   2HD   PRO   2          1HD       PRO   2 -14.399   2.251   2.891
   13    H    LEU   3           H        LEU   3 -15.750   5.529   3.572
   14    HA   LEU   3           HA       LEU   3 -17.695   7.556   2.825
   15   1HB   LEU   3          2HB       LEU   3 -16.956   6.253   5.436
   16   2HB   LEU   3          1HB       LEU   3 -18.044   7.624   5.361
   17    HG   LEU   3           HG       LEU   3 -19.059   5.775   3.511
   18   1HD1  LEU   3          1HD1      LEU   3 -18.861   3.693   4.306
   19   2HD1  LEU   3          2HD1      LEU   3 -17.452   4.318   5.163
   20   3HD1  LEU   3          3HD1      LEU   3 -19.009   4.216   5.985
   21   1HD2  LEU   3          1HD2      LEU   3 -20.140   7.406   5.210
   22   2HD2  LEU   3          2HD2      LEU   3 -20.984   5.915   4.792
   23   3HD2  LEU   3          3HD2      LEU   3 -20.090   6.027   6.308
   24    H    GLY   4           H        GLY   4 -15.800   8.829   1.954
   25   1HA   GLY   4          1HA       GLY   4 -14.846  10.962   2.247
   26   2HA   GLY   4          2HA       GLY   4 -14.967  10.753   3.989
   27    H    SER   5           H        SER   5 -12.806  11.391   4.274
   28    HA   SER   5           HA       SER   5 -10.803   9.482   3.262
   29   1HB   SER   5          2HB       SER   5  -9.756  11.899   4.528
   30   2HB   SER   5          1HB       SER   5  -9.405  11.223   2.937
   31    HG   SER   5           HG       SER   5 -11.433  12.138   2.239
   32    H    ASP   6           H        ASP   6 -12.472   8.800   5.407
   33    HA   ASP   6           HA       ASP   6 -11.226   9.357   7.916
   34   1HB   ASP   6          2HB       ASP   6 -13.693   8.672   7.361
   35   2HB   ASP   6          1HB       ASP   6 -13.062   7.030   7.493
   36    H    HIS   7           H        HIS   7 -10.096   7.985   9.268
   37    HA   HIS   7           HA       HIS   7  -8.757   6.306   9.959
   38   1HB   HIS   7          2HB       HIS   7 -10.657   4.882   9.360
   39   2HB   HIS   7          1HB       HIS   7 -10.065   4.763   7.711
   40    HD2  HIS   7           2HD      HIS   7  -8.578   2.617   7.246
   41    HE1  HIS   7           1HE      HIS   7  -7.720   1.654  11.277
   42    HE2  HIS   7           2HE      HIS   7  -7.656   0.821   8.880
   43    H    HIS   8           H        HIS   8  -8.755   5.856   6.423
   44    HA   HIS   8           HA       HIS   8  -5.876   5.600   6.438
   45   1HB   HIS   8          2HB       HIS   8  -7.981   5.465   4.290
   46   2HB   HIS   8          1HB       HIS   8  -6.268   5.517   3.885
   47    HD2  HIS   8           2HD      HIS   8  -5.025   3.398   5.908
   48    HE1  HIS   8           1HE      HIS   8  -8.061   0.801   4.524
   49    HE2  HIS   8           2HE      HIS   8  -5.770   0.932   5.593
   50    H    MET   9           H        MET   9  -4.426   7.090   5.817
   51    HA   MET   9           HA       MET   9  -5.080   9.820   5.905
   52   1HB   MET   9          2HB       MET   9  -2.599   8.830   4.544
   53   2HB   MET   9          1HB       MET   9  -2.812  10.259   5.543
   54   1HG   MET   9          2HG       MET   9  -2.162   9.165   7.347
   55   2HG   MET   9          1HG       MET   9  -3.362   7.905   7.079
   56   1HE   MET   9          1HE       MET   9  -1.367   7.041   8.553
   57   2HE   MET   9          2HE       MET   9  -0.263   5.874   7.831
   58   3HE   MET   9          3HE       MET   9   0.241   7.551   8.043
   59    H    GLU  10           H        GLU  10  -5.562  11.295   4.384
   60    HA   GLU  10           HA       GLU  10  -6.646  10.483   1.933
   61   1HB   GLU  10          2HB       GLU  10  -6.928  12.823   1.446
   62   2HB   GLU  10          1HB       GLU  10  -7.221  12.580   3.162
   63   1HG   GLU  10          2HG       GLU  10  -4.935  13.358   3.636
   64   2HG   GLU  10          1HG       GLU  10  -4.709  13.669   1.916
   65    H    PHE  11           H        PHE  11  -3.422  11.138   2.811
   66    HA   PHE  11           HA       PHE  11  -2.604  10.918   0.001
   67   1HB   PHE  11          2HB       PHE  11  -0.663  12.365   0.502
   68   2HB   PHE  11          1HB       PHE  11  -2.185  13.218   0.735
   69    HD1  PHE  11           1HD      PHE  11  -2.932  13.837   2.968
   70    HD2  PHE  11           2HD      PHE  11   0.783  11.852   2.365
   71    HE1  PHE  11           1HE      PHE  11  -2.235  14.463   5.241
   72    HE2  PHE  11           2HE      PHE  11   1.484  12.473   4.640
   73    HZ   PHE  11           HZ       PHE  11  -0.024  13.778   6.079
   74    H    CYS  12           H        CYS  12  -0.461   9.913  -0.252
   75    HA   CYS  12           HA       CYS  12  -0.060   7.795   1.677
   76   1HB   CYS  12          2HB       CYS  12   0.666   6.778  -0.186
   77   2HB   CYS  12          1HB       CYS  12   0.720   8.300  -1.069
   78    HG   CYS  12           HG       CYS  12   3.220   8.750  -0.924
   79    H    ARG  13           H        ARG  13   1.035   8.104   3.445
   80    HA   ARG  13           HA       ARG  13   1.977  10.469   4.294
   81   1HB   ARG  13          2HB       ARG  13   2.081   9.351   6.206
   82   2HB   ARG  13          1HB       ARG  13   1.871   7.855   5.312
   83   1HG   ARG  13          2HG       ARG  13   4.272   7.594   5.127
   84   2HG   ARG  13          1HG       ARG  13   4.518   9.141   5.943
   85   1HD   ARG  13          2HD       ARG  13   4.495   8.079   7.891
   86   2HD   ARG  13          1HD       ARG  13   2.815   7.632   7.594
   87    HE   ARG  13           HE       ARG  13   3.530   5.531   6.808
   88   1HH1  ARG  13          2HH1      ARG  13   6.208   7.548   7.851
   89   2HH1  ARG  13          1HH1      ARG  13   7.293   6.204   8.071
   90   1HH2  ARG  13          2HH2      ARG  13   4.963   3.773   7.065
   91   2HH2  ARG  13          1HH2      ARG  13   6.613   4.068   7.550
   92    H    VAL  14           H        VAL  14   3.953   8.104   2.582
   93    HA   VAL  14           HA       VAL  14   6.413   9.432   3.195
   94    HB   VAL  14           HB       VAL  14   5.937   7.396   1.025
   95   1HG1  VAL  14          1HG1      VAL  14   8.226   7.020   1.014
   96   2HG1  VAL  14          2HG1      VAL  14   8.139   8.769   1.235
   97   3HG1  VAL  14          3HG1      VAL  14   8.450   7.719   2.619
   98   1HG2  VAL  14          1HG2      VAL  14   5.490   7.068   3.760
   99   2HG2  VAL  14          2HG2      VAL  14   5.662   5.797   2.550
  100   3HG2  VAL  14          3HG2      VAL  14   7.071   6.344   3.460
  101    H    CYS  15           H        CYS  15   4.140   9.557   0.540
  102    HA   CYS  15           HA       CYS  15   5.880  11.111  -1.181
  103   1HB   CYS  15          2HB       CYS  15   3.005  10.244  -1.308
  104   2HB   CYS  15          1HB       CYS  15   3.582  11.524  -2.367
  105    H    LYS  16           H        LYS  16   3.470  11.585   1.230
  106    HA   LYS  16           HA       LYS  16   2.527  13.402   2.223
  107   1HB   LYS  16          2HB       LYS  16   4.747  14.799   0.754
  108   2HB   LYS  16          1HB       LYS  16   3.471  15.729   1.527
  109   1HG   LYS  16          2HG       LYS  16   4.434  13.795   3.378
  110   2HG   LYS  16          1HG       LYS  16   5.810  14.651   2.681
  111   1HD   LYS  16          2HD       LYS  16   3.406  16.132   3.687
  112   2HD   LYS  16          1HD       LYS  16   4.691  15.624   4.785
  113   1HE   LYS  16          2HE       LYS  16   6.071  17.234   4.084
  114   2HE   LYS  16          1HE       LYS  16   5.704  16.928   2.387
  115   1HZ   LYS  16          1HZ       LYS  16   3.585  18.170   2.766
  116   2HZ   LYS  16          2HZ       LYS  16   4.989  19.111   2.873
  117   3HZ   LYS  16          3HZ       LYS  16   4.185  18.627   4.286
  118    H    ASP  17           H        ASP  17   2.075  12.204  -0.518
  119    HA   ASP  17           HA       ASP  17   0.003  14.053  -1.334
  120   1HB   ASP  17          2HB       ASP  17   1.974  14.636  -2.718
  121   2HB   ASP  17          1HB       ASP  17   2.035  12.972  -3.290
  122    H    GLY  18           H        GLY  18  -1.667  13.097  -2.558
  123   1HA   GLY  18          1HA       GLY  18  -1.897  10.243  -2.006
  124   2HA   GLY  18          2HA       GLY  18  -3.207  11.330  -2.455
  125    H    GLY  19           H        GLY  19  -3.867  11.372  -4.509
  126   1HA   GLY  19          1HA       GLY  19  -3.720  11.057  -6.852
  127   2HA   GLY  19          2HA       GLY  19  -2.177  10.240  -6.624
  128    H    GLU  20           H        GLU  20  -2.216   8.138  -6.865
  129    HA   GLU  20           HA       GLU  20  -4.683   6.628  -6.341
  130   1HB   GLU  20          2HB       GLU  20  -2.432   6.199  -8.044
  131   2HB   GLU  20          1HB       GLU  20  -2.413   4.946  -6.813
  132   1HG   GLU  20          2HG       GLU  20  -4.899   5.567  -8.362
  133   2HG   GLU  20          1HG       GLU  20  -3.662   4.480  -8.992
  134    H    LEU  21           H        LEU  21  -4.267   4.676  -4.791
  135    HA   LEU  21           HA       LEU  21  -2.121   5.123  -2.931
  136   1HB   LEU  21          2HB       LEU  21  -4.882   5.975  -2.328
  137   2HB   LEU  21          1HB       LEU  21  -4.029   5.122  -1.050
  138    HG   LEU  21           HG       LEU  21  -2.612   7.334  -2.430
  139   1HD1  LEU  21          1HD1      LEU  21  -3.560   8.992  -0.935
  140   2HD1  LEU  21          2HD1      LEU  21  -4.797   8.309  -1.993
  141   3HD1  LEU  21          3HD1      LEU  21  -4.697   7.794  -0.309
  142   1HD2  LEU  21          1HD2      LEU  21  -1.234   7.183  -0.691
  143   2HD2  LEU  21          2HD2      LEU  21  -2.563   7.163   0.471
  144   3HD2  LEU  21          3HD2      LEU  21  -2.060   5.668  -0.323
  145    H    LEU  22           H        LEU  22  -1.592   3.489  -1.694
  146    HA   LEU  22           HA       LEU  22  -3.203   1.018  -1.897
  147   1HB   LEU  22          2HB       LEU  22  -0.599   1.416  -2.758
  148   2HB   LEU  22          1HB       LEU  22  -0.385   0.701  -1.171
  149    HG   LEU  22           HG       LEU  22  -1.735  -1.232  -1.851
  150   1HD1  LEU  22          1HD1      LEU  22  -3.107  -1.141  -3.583
  151   2HD1  LEU  22          2HD1      LEU  22  -2.555   0.496  -3.933
  152   3HD1  LEU  22          3HD1      LEU  22  -1.742  -0.886  -4.671
  153   1HD2  LEU  22          1HD2      LEU  22   0.036  -2.263  -2.780
  154   2HD2  LEU  22          2HD2      LEU  22   0.183  -1.076  -4.075
  155   3HD2  LEU  22          3HD2      LEU  22   0.843  -0.724  -2.478
  156    H    CYS  23           H        CYS  23  -4.209   0.731   0.002
  157    HA   CYS  23           HA       CYS  23  -2.828   1.644   2.440
  158   1HB   CYS  23          2HB       CYS  23  -5.684   1.379   2.743
  159   2HB   CYS  23          1HB       CYS  23  -4.669   2.801   2.964
  160    HG   CYS  23           HG       CYS  23  -6.603   1.922   0.356
  161    H    CYS  24           H        CYS  24  -2.797   0.356   4.255
  162    HA   CYS  24           HA       CYS  24  -3.081  -2.440   3.877
  163   1HB   CYS  24          2HB       CYS  24  -1.473  -1.464   5.502
  164   2HB   CYS  24          1HB       CYS  24  -2.822  -0.919   6.490
  165    H    ASP  25           H        ASP  25  -4.696  -3.799   4.401
  166    HA   ASP  25           HA       ASP  25  -7.320  -2.738   4.799
  167   1HB   ASP  25          2HB       ASP  25  -6.648  -4.910   3.576
  168   2HB   ASP  25          1HB       ASP  25  -6.572  -5.630   5.181
  169    H    THR  26           H        THR  26  -4.766  -3.664   6.848
  170    HA   THR  26           HA       THR  26  -6.551  -4.007   9.147
  171    HB   THR  26           HB       THR  26  -3.779  -4.317   9.822
  172    HG1  THR  26           1HG      THR  26  -3.493  -4.792   7.587
  173   1HG2  THR  26          1HG2      THR  26  -5.753  -5.322  10.951
  174   2HG2  THR  26          2HG2      THR  26  -4.508  -6.501  10.536
  175   3HG2  THR  26          3HG2      THR  26  -5.968  -6.377   9.554
  176    H    CYS  27           H        CYS  27  -3.783  -2.093   8.036
  177    HA   CYS  27           HA       CYS  27  -3.995  -0.425  10.428
  178   1HB   CYS  27          2HB       CYS  27  -1.866  -0.394   8.287
  179   2HB   CYS  27          1HB       CYS  27  -1.793   0.385   9.864
  180    HA   PRO  28           HA       PRO  28  -5.602   3.027   8.115
  181   1HB   PRO  28          2HB       PRO  28  -4.972   5.041   9.754
  182   2HB   PRO  28          1HB       PRO  28  -6.136   3.804  10.242
  183   1HG   PRO  28          2HG       PRO  28  -3.264   4.111  11.002
  184   2HG   PRO  28          1HG       PRO  28  -4.643   3.626  12.003
  185   1HD   PRO  28          2HD       PRO  28  -2.817   1.887  10.855
  186   2HD   PRO  28          1HD       PRO  28  -4.444   1.441  11.404
  187    H    SER  29           H        SER  29  -2.921   2.057   7.399
  188    HA   SER  29           HA       SER  29  -1.481   4.559   6.901
  189   1HB   SER  29          2HB       SER  29  -0.152   1.980   6.330
  190   2HB   SER  29          1HB       SER  29   0.464   3.410   7.156
  191    HG   SER  29           HG       SER  29  -0.646   1.151   8.194
  192    H    SER  30           H        SER  30  -1.523   5.391   4.943
  193    HA   SER  30           HA       SER  30  -2.128   3.629   2.670
  194   1HB   SER  30          2HB       SER  30  -2.391   6.437   2.064
  195   2HB   SER  30          1HB       SER  30  -3.614   5.170   1.994
  196    HG   SER  30           HG       SER  30  -3.843   7.060   3.541
  197    H    TYR  31           H        TYR  31  -0.594   3.316   1.210
  198    HA   TYR  31           HA       TYR  31   1.647   5.230   1.023
  199   1HB   TYR  31          2HB       TYR  31   1.824   2.208   0.973
  200   2HB   TYR  31          1HB       TYR  31   3.168   3.312   0.721
  201    HD1  TYR  31           1HD      TYR  31   1.273   1.479   3.113
  202    HD2  TYR  31           2HD      TYR  31   3.796   4.869   2.648
  203    HE1  TYR  31           1HE      TYR  31   1.745   1.448   5.524
  204    HE2  TYR  31           2HE      TYR  31   4.277   4.850   5.060
  205    HH   TYR  31           HH       TYR  31   3.159   2.228   7.125
  206    H    HIS  32           H        HIS  32   2.950   3.488  -0.925
  207    HA   HIS  32           HA       HIS  32   1.045   3.279  -3.119
  208   1HB   HIS  32          2HB       HIS  32   3.579   4.891  -3.177
  209   2HB   HIS  32          1HB       HIS  32   3.038   4.074  -4.637
  210    HD2  HIS  32           2HD      HIS  32   0.252   4.853  -5.298
  211    HE1  HIS  32           1HE      HIS  32   0.927   8.705  -3.691
  212    HE2  HIS  32           2HE      HIS  32  -0.684   7.254  -4.983
  213    H    ILE  33           H        ILE  33   3.670   2.738  -4.743
  214    HA   ILE  33           HA       ILE  33   4.040   0.011  -3.693
  215    HB   ILE  33           HB       ILE  33   4.641  -0.625  -6.033
  216   1HG1  ILE  33          2HG1      ILE  33   3.325   1.955  -6.863
  217   1HG2  ILE  33          1HG2      ILE  33   2.128  -0.193  -6.815
  218   2HG2  ILE  33          2HG2      ILE  33   2.557  -1.370  -5.574
  219   3HG2  ILE  33          3HG2      ILE  33   1.967   0.225  -5.108
  220   1HD1  ILE  33          1HD1      ILE  33   4.427  -0.340  -8.250
  221   2HD1  ILE  33          2HD1      ILE  33   3.362   0.937  -8.833
  222   3HD1  ILE  33          3HD1      ILE  33   5.106   1.191  -8.801
  223    H    HIS  34           H        HIS  34   5.578   2.920  -4.028
  224    HA   HIS  34           HA       HIS  34   8.217   1.621  -3.957
  225   1HB   HIS  34          2HB       HIS  34   8.907   3.995  -5.020
  226   2HB   HIS  34          1HB       HIS  34   8.508   2.592  -6.005
  227    HD2  HIS  34           2HD      HIS  34   6.259   5.472  -4.477
  228    HE1  HIS  34           1HE      HIS  34   5.226   4.768  -8.513
  229    HE2  HIS  34           2HE      HIS  34   4.916   6.319  -6.530
  230    H    CYS  35           H        CYS  35   6.009   3.359  -2.322
  231    HA   CYS  35           HA       CYS  35   7.880   5.076  -0.899
  232   1HB   CYS  35          2HB       CYS  35   4.969   4.889  -0.230
  233   2HB   CYS  35          1HB       CYS  35   6.029   6.304  -0.259
  234    H    LEU  36           H        LEU  36   7.573   2.055  -0.797
  235    HA   LEU  36           HA       LEU  36   7.543   1.834   2.136
  236   1HB   LEU  36          2HB       LEU  36   7.264  -0.709   0.783
  237   2HB   LEU  36          1HB       LEU  36   6.277  -0.013   2.053
  238    HG   LEU  36           HG       LEU  36   5.728   1.242  -0.501
  239   1HD1  LEU  36          1HD1      LEU  36   5.832  -0.530  -1.844
  240   2HD1  LEU  36          2HD1      LEU  36   6.076  -1.639  -0.496
  241   3HD1  LEU  36          3HD1      LEU  36   4.444  -1.155  -0.955
  242   1HD2  LEU  36          1HD2      LEU  36   3.993   1.576   0.878
  243   2HD2  LEU  36          2HD2      LEU  36   3.454   0.001   0.290
  244   3HD2  LEU  36          3HD2      LEU  36   4.327   0.120   1.816
  245    H    ASN  37           H        ASN  37   8.873  -0.423   2.578
  246    HA   ASN  37           HA       ASN  37  11.512   0.183   1.603
  247   1HB   ASN  37          2HB       ASN  37  10.397  -1.348   3.790
  248   2HB   ASN  37          1HB       ASN  37  11.665  -2.252   2.965
  249   1HD2  ASN  37          1HD2      ASN  37  11.548   1.234   3.131
  250   2HD2  ASN  37          2HD2      ASN  37  12.933   1.430   4.151
  251    HA   PRO  38           HA       PRO  38  10.998  -3.827  -0.887
  252   1HB   PRO  38          2HB       PRO  38   8.730  -5.267  -0.751
  253   2HB   PRO  38          1HB       PRO  38  10.052  -5.500   0.397
  254   1HG   PRO  38          2HG       PRO  38   7.439  -4.148   0.770
  255   2HG   PRO  38          1HG       PRO  38   8.438  -5.012   1.947
  256   1HD   PRO  38          2HD       PRO  38   8.265  -2.221   1.607
  257   2HD   PRO  38          1HD       PRO  38   9.444  -3.099   2.598
  258    HA   PRO  39           HA       PRO  39   8.436  -1.319  -3.568
  259   1HB   PRO  39          2HB       PRO  39  10.255  -1.131  -5.576
  260   2HB   PRO  39          1HB       PRO  39  10.362  -0.205  -4.079
  261   1HG   PRO  39          2HG       PRO  39  12.036  -2.405  -5.005
  262   2HG   PRO  39          1HG       PRO  39  12.320  -1.262  -3.685
  263   1HD   PRO  39          2HD       PRO  39  11.323  -3.993  -3.562
  264   2HD   PRO  39          1HD       PRO  39  11.831  -2.928  -2.236
  265    H    LEU  40           H        LEU  40   6.870  -3.047  -3.952
  266    HA   LEU  40           HA       LEU  40   7.350  -4.909  -6.080
  267   1HB   LEU  40          2HB       LEU  40   4.617  -4.815  -5.754
  268   2HB   LEU  40          1HB       LEU  40   5.713  -5.940  -4.992
  269    HG   LEU  40           HG       LEU  40   4.097  -4.967  -3.440
  270   1HD1  LEU  40          1HD1      LEU  40   6.901  -5.085  -3.034
  271   2HD1  LEU  40          2HD1      LEU  40   6.197  -3.814  -2.033
  272   3HD1  LEU  40          3HD1      LEU  40   5.587  -5.463  -1.924
  273   1HD2  LEU  40          1HD2      LEU  40   5.072  -2.428  -2.887
  274   2HD2  LEU  40          2HD2      LEU  40   4.870  -2.498  -4.638
  275   3HD2  LEU  40          3HD2      LEU  40   3.508  -2.857  -3.578
  276    HA   PRO  41           HA       PRO  41   6.528  -1.883  -9.212
  277   1HB   PRO  41          2HB       PRO  41   6.577  -4.160 -11.073
  278   2HB   PRO  41          1HB       PRO  41   7.646  -2.757 -10.988
  279   1HG   PRO  41          2HG       PRO  41   8.482  -5.206 -10.274
  280   2HG   PRO  41          1HG       PRO  41   9.044  -3.745  -9.440
  281   1HD   PRO  41          2HD       PRO  41   6.961  -5.728  -8.593
  282   2HD   PRO  41          1HD       PRO  41   8.226  -4.939  -7.626
  283    H    GLU  42           H        GLU  42   4.796  -4.942  -9.102
  284    HA   GLU  42           HA       GLU  42   2.601  -3.899 -10.686
  285   1HB   GLU  42          2HB       GLU  42   3.620  -6.497 -10.024
  286   2HB   GLU  42          1HB       GLU  42   1.929  -6.406  -9.547
  287   1HG   GLU  42          2HG       GLU  42   3.009  -5.756 -12.279
  288   2HG   GLU  42          1HG       GLU  42   2.214  -7.262 -11.821
  289    H    ILE  43           H        ILE  43   0.643  -3.297  -9.912
  290    HA   ILE  43           HA       ILE  43   0.448  -2.834  -7.060
  291    HB   ILE  43           HB       ILE  43  -1.806  -1.797  -7.742
  292   1HG1  ILE  43          2HG1      ILE  43  -0.840  -1.223 -10.419
  293   1HG2  ILE  43          1HG2      ILE  43   0.379  -0.307  -9.070
  294   2HG2  ILE  43          2HG2      ILE  43  -0.788   0.227  -7.858
  295   3HG2  ILE  43          3HG2      ILE  43   0.606  -0.740  -7.376
  296   1HD1  ILE  43          1HD1      ILE  43  -3.071  -1.673 -11.083
  297   2HD1  ILE  43          2HD1      ILE  43  -3.404  -2.545  -9.587
  298   3HD1  ILE  43          3HD1      ILE  43  -3.139  -0.801  -9.553
  299    HA   PRO  44           HA       PRO  44  -1.864  -6.589  -6.380
  300   1HB   PRO  44          2HB       PRO  44  -2.488  -5.335  -3.787
  301   2HB   PRO  44          1HB       PRO  44  -1.640  -6.847  -4.126
  302   1HG   PRO  44          2HG       PRO  44  -0.341  -4.688  -3.212
  303   2HG   PRO  44          1HG       PRO  44   0.401  -5.807  -4.370
  304   1HD   PRO  44          2HD       PRO  44  -0.836  -3.123  -4.859
  305   2HD   PRO  44          1HD       PRO  44   0.646  -3.824  -5.544
  306    H    ASN  45           H        ASN  45  -3.675  -6.552  -7.573
  307    HA   ASN  45           HA       ASN  45  -5.645  -4.473  -7.261
  308   1HB   ASN  45          2HB       ASN  45  -4.976  -6.442  -9.250
  309   2HB   ASN  45          1HB       ASN  45  -6.696  -6.531  -8.881
  310   1HD2  ASN  45          1HD2      ASN  45  -4.458  -5.077 -10.797
  311   2HD2  ASN  45          2HD2      ASN  45  -5.346  -3.655 -11.246
  312    H    GLY  46           H        GLY  46  -6.097  -4.947  -4.999
  313   1HA   GLY  46          1HA       GLY  46  -8.537  -6.062  -4.505
  314   2HA   GLY  46          2HA       GLY  46  -7.419  -7.403  -4.295
  315    H    GLU  47           H        GLU  47  -7.500  -7.685  -2.132
  316    HA   GLU  47           HA       GLU  47  -7.207  -5.411  -0.343
  317   1HB   GLU  47          2HB       GLU  47  -8.707  -7.026   0.492
  318   2HB   GLU  47          1HB       GLU  47  -7.656  -8.361   0.048
  319   1HG   GLU  47          2HG       GLU  47  -6.079  -7.075   1.815
  320   2HG   GLU  47          1HG       GLU  47  -7.672  -6.683   2.462
  321    H    TRP  48           H        TRP  48  -5.271  -4.667   0.272
  322    HA   TRP  48           HA       TRP  48  -2.992  -6.523   0.160
  323   1HB   TRP  48          2HB       TRP  48  -2.707  -5.132  -1.732
  324   2HB   TRP  48          1HB       TRP  48  -3.268  -3.705  -0.877
  325    HD1  TRP  48           HD       TRP  48  -0.136  -5.775  -1.518
  326    HE1  TRP  48           1HE      TRP  48   1.906  -4.461  -0.661
  327    HE3  TRP  48           3HE      TRP  48  -2.575  -2.028   0.915
  328    HZ2  TRP  48           2HZ      TRP  48   2.404  -2.113   0.844
  329    HZ3  TRP  48           3HZ      TRP  48  -1.271  -0.297   2.031
  330    HH2  TRP  48           HH       TRP  48   1.175  -0.328   2.008
  331    H    LEU  49           H        LEU  49  -1.592  -6.416   1.860
  332    HA   LEU  49           HA       LEU  49  -2.448  -4.715   4.093
  333   1HB   LEU  49          2HB       LEU  49  -0.694  -7.169   4.164
  334   2HB   LEU  49          1HB       LEU  49  -1.347  -6.308   5.544
  335    HG   LEU  49           HG       LEU  49  -2.970  -7.831   3.503
  336   1HD1  LEU  49          1HD1      LEU  49  -2.964  -8.656   6.319
  337   2HD1  LEU  49          2HD1      LEU  49  -2.921  -9.626   4.846
  338   3HD1  LEU  49          3HD1      LEU  49  -1.439  -8.899   5.465
  339   1HD2  LEU  49          1HD2      LEU  49  -4.771  -7.496   5.272
  340   2HD2  LEU  49          2HD2      LEU  49  -3.730  -6.234   5.932
  341   3HD2  LEU  49          3HD2      LEU  49  -4.346  -6.095   4.286
  342    H    CYS  50           H        CYS  50  -0.976  -3.452   5.184
  343    HA   CYS  50           HA       CYS  50   0.909  -2.148   3.686
  344   1HB   CYS  50          2HB       CYS  50   1.531  -0.984   5.667
  345   2HB   CYS  50          1HB       CYS  50  -0.177  -1.374   5.833
  346    HA   PRO  51           HA       PRO  51   4.645  -4.394   3.578
  347   1HB   PRO  51          2HB       PRO  51   6.550  -2.513   4.119
  348   2HB   PRO  51          1HB       PRO  51   5.683  -2.625   2.584
  349   1HG   PRO  51          2HG       PRO  51   5.162  -0.833   4.926
  350   2HG   PRO  51          1HG       PRO  51   5.161  -0.442   3.194
  351   1HD   PRO  51          2HD       PRO  51   2.880  -0.842   4.547
  352   2HD   PRO  51          1HD       PRO  51   3.066  -1.363   2.860
  353    H    ARG  52           H        ARG  52   3.385  -3.711   6.446
  354    HA   ARG  52           HA       ARG  52   5.663  -4.945   7.806
  355   1HB   ARG  52          2HB       ARG  52   5.596  -3.561   9.647
  356   2HB   ARG  52          1HB       ARG  52   5.170  -2.424   8.378
  357   1HG   ARG  52          2HG       ARG  52   2.720  -3.302   9.096
  358   2HG   ARG  52          1HG       ARG  52   3.582  -3.437  10.630
  359   1HD   ARG  52          2HD       ARG  52   4.031  -1.166  10.727
  360   2HD   ARG  52          1HD       ARG  52   3.818  -0.950   8.990
  361    HE   ARG  52           HE       ARG  52   1.359  -1.556   9.615
  362   1HH1  ARG  52          2HH1      ARG  52   3.569   0.529  11.364
  363   2HH1  ARG  52          1HH1      ARG  52   2.301   1.438  12.128
  364   1HH2  ARG  52          2HH2      ARG  52  -0.309  -0.364  10.634
  365   2HH2  ARG  52          1HH2      ARG  52   0.115   0.948  11.702
  366    H    CYS  53           H        CYS  53   2.450  -5.116   6.942
  367    HA   CYS  53           HA       CYS  53   1.769  -7.029   9.060
  368   1HB   CYS  53          2HB       CYS  53   0.213  -5.739   6.832
  369   2HB   CYS  53          1HB       CYS  53  -0.363  -7.234   7.561
  370    H    THR  54           H        THR  54   3.527  -6.888   6.374
  371    HA   THR  54           HA       THR  54   2.684  -9.220   4.960
  372    HB   THR  54           HB       THR  54   5.410  -8.388   4.434
  373    HG1  THR  54           1HG      THR  54   3.358  -6.398   4.491
  374   1HG2  THR  54          1HG2      THR  54   3.540  -7.567   2.445
  375   2HG2  THR  54          2HG2      THR  54   3.069  -9.157   3.044
  376   3HG2  THR  54          3HG2      THR  54   4.687  -8.906   2.393
  377    H    CYS  55           H        CYS  55   3.289 -11.276   5.281
  378    HA   CYS  55           HA       CYS  55   4.469 -12.159   7.592
  379   1HB   CYS  55          2HB       CYS  55   4.925 -13.997   5.373
  380   2HB   CYS  55          1HB       CYS  55   3.929 -14.189   6.812
  381    HG   CYS  55           HG       CYS  55   1.672 -13.941   5.613
  382    HA   PRO  56           HA       PRO  56   8.768 -12.592   5.624
  383   1HB   PRO  56          2HB       PRO  56   9.294 -11.855   3.109
  384   2HB   PRO  56          1HB       PRO  56   8.517 -13.401   3.469
  385   1HG   PRO  56          2HG       PRO  56   7.303 -10.849   2.497
  386   2HG   PRO  56          1HG       PRO  56   6.940 -12.517   2.019
  387   1HD   PRO  56          2HD       PRO  56   5.461 -11.031   3.827
  388   2HD   PRO  56          1HD       PRO  56   5.467 -12.801   3.736
  389    H    ALA  57           H        ALA  57   7.087  -9.924   6.086
  390    HA   ALA  57           HA       ALA  57   9.463  -8.224   6.108
  391   1HB   ALA  57          1HB       ALA  57   8.745  -6.695   4.637
  392   2HB   ALA  57          2HB       ALA  57   7.622  -7.938   4.086
  393   3HB   ALA  57          3HB       ALA  57   7.098  -6.736   5.265
  394    H    LEU  58           H        LEU  58   7.977  -9.619   8.143
  395    HA   LEU  58           HA       LEU  58   6.363  -7.647   9.497
  396   1HB   LEU  58          2HB       LEU  58   6.658 -10.461   9.588
  397   2HB   LEU  58          1HB       LEU  58   7.040  -9.853  11.188
  398    HG   LEU  58           HG       LEU  58   4.580  -8.786   9.925
  399   1HD1  LEU  58          1HD1      LEU  58   3.252 -10.695  10.378
  400   2HD1  LEU  58          2HD1      LEU  58   4.598 -11.228   9.372
  401   3HD1  LEU  58          3HD1      LEU  58   4.612 -11.551  11.105
  402   1HD2  LEU  58          1HD2      LEU  58   4.193  -8.172  12.022
  403   2HD2  LEU  58          2HD2      LEU  58   4.326  -9.840  12.581
  404   3HD2  LEU  58          3HD2      LEU  58   5.767  -8.832  12.466
  405    H    LYS  59           H        LYS  59   8.622  -6.408   9.200
  406    HA   LYS  59           HA       LYS  59   9.586  -6.152  11.927
  407   1HB   LYS  59          2HB       LYS  59  11.241  -7.154   9.706
  408   2HB   LYS  59          1HB       LYS  59  11.948  -5.801  10.580
  409   1HG   LYS  59          2HG       LYS  59  11.290  -8.545  11.556
  410   2HG   LYS  59          1HG       LYS  59  12.793  -7.632  11.700
  411   1HD   LYS  59          2HD       LYS  59  10.647  -6.234  13.011
  412   2HD   LYS  59          1HD       LYS  59  10.759  -7.887  13.615
  413   1HE   LYS  59          2HE       LYS  59  12.375  -7.128  14.949
  414   2HE   LYS  59          1HE       LYS  59  13.385  -7.101  13.503
  415   1HZ   LYS  59          1HZ       LYS  59  13.069  -4.983  15.000
  416   2HZ   LYS  59          2HZ       LYS  59  11.691  -4.770  14.039
  417   3HZ   LYS  59          3HZ       LYS  59  13.223  -4.856  13.317
  418    H    GLY  60           H        GLY  60   7.865  -4.687  10.112
  419   1HA   GLY  60          1HA       GLY  60   9.451  -2.227   9.700
  420   2HA   GLY  60          2HA       GLY  60   7.987  -2.631   8.815
  421    H    LYS  61           H        LYS  61   7.767  -3.482  12.045
  422    HA   LYS  61           HA       LYS  61   6.816  -0.905  12.972
  423   1HB   LYS  61          2HB       LYS  61   4.900  -2.272  11.838
  424   2HB   LYS  61          1HB       LYS  61   4.972  -3.253  13.296
  425   1HG   LYS  61          2HG       LYS  61   4.908  -0.561  14.128
  426   2HG   LYS  61          1HG       LYS  61   3.677  -0.749  12.876
  427   1HD   LYS  61          2HD       LYS  61   2.341  -1.728  14.359
  428   2HD   LYS  61          1HD       LYS  61   3.530  -3.018  14.559
  429   1HE   LYS  61          2HE       LYS  61   3.897  -0.426  15.998
  430   2HE   LYS  61          1HE       LYS  61   2.752  -1.611  16.620
  431   1HZ   LYS  61          1HZ       LYS  61   5.679  -1.869  16.299
  432   2HZ   LYS  61          2HZ       LYS  61   4.686  -3.237  16.429
  433   3HZ   LYS  61          3HZ       LYS  61   4.734  -2.104  17.693
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -10.330  14.294  -1.569
    2   2H    GLY   1          2H        GLY   1 -11.011  13.574  -2.944
    3   3H    GLY   1          3H        GLY   1 -11.719  13.338  -1.425
    4   1HA   GLY   1          2HA       GLY   1 -11.782  15.705  -3.162
    5   2HA   GLY   1          1HA       GLY   1 -13.105  14.921  -2.309
    6    HA   PRO   2           HA       PRO   2 -11.681  18.503   0.250
    7   1HB   PRO   2          2HB       PRO   2 -13.679  20.226  -0.102
    8   2HB   PRO   2          1HB       PRO   2 -12.444  20.002  -1.347
    9   1HG   PRO   2          2HG       PRO   2 -15.234  18.946  -1.236
   10   2HG   PRO   2          1HG       PRO   2 -14.321  19.555  -2.626
   11   1HD   PRO   2          2HD       PRO   2 -14.665  16.869  -1.950
   12   2HD   PRO   2          1HD       PRO   2 -13.435  17.508  -3.058
   13    H    LEU   3           H        LEU   3 -14.104  16.244   0.485
   14    HA   LEU   3           HA       LEU   3 -15.615  17.421   2.624
   15   1HB   LEU   3          2HB       LEU   3 -15.524  14.629   1.498
   16   2HB   LEU   3          1HB       LEU   3 -16.547  15.073   2.853
   17    HG   LEU   3           HG       LEU   3 -16.704  16.361   0.126
   18   1HD1  LEU   3          1HD1      LEU   3 -18.909  14.655   1.021
   19   2HD1  LEU   3          2HD1      LEU   3 -18.153  14.802  -0.567
   20   3HD1  LEU   3          3HD1      LEU   3 -17.410  13.793   0.674
   21   1HD2  LEU   3          1HD2      LEU   3 -18.145  16.713   2.702
   22   2HD2  LEU   3          2HD2      LEU   3 -17.677  17.908   1.493
   23   3HD2  LEU   3          3HD2      LEU   3 -19.063  16.858   1.202
   24    H    GLY   4           H        GLY   4 -12.913  15.177   2.389
   25   1HA   GLY   4          1HA       GLY   4 -11.264  15.176   4.131
   26   2HA   GLY   4          2HA       GLY   4 -12.534  15.542   5.288
   27    H    SER   5           H        SER   5 -13.816  13.276   3.315
   28    HA   SER   5           HA       SER   5 -13.072  11.125   5.165
   29   1HB   SER   5          2HB       SER   5 -15.276  10.722   3.218
   30   2HB   SER   5          1HB       SER   5 -15.185  10.285   4.926
   31    HG   SER   5           HG       SER   5 -15.305  12.703   5.243
   32    H    ASP   6           H        ASP   6 -11.681   9.630   4.477
   33    HA   ASP   6           HA       ASP   6 -11.721   8.752   1.704
   34   1HB   ASP   6          2HB       ASP   6  -9.938  10.748   2.349
   35   2HB   ASP   6          1HB       ASP   6  -8.976   9.287   2.572
   36    H    HIS   7           H        HIS   7  -9.725   7.165   1.476
   37    HA   HIS   7           HA       HIS   7 -10.143   5.117   3.467
   38   1HB   HIS   7          2HB       HIS   7  -9.814   4.857   0.878
   39   2HB   HIS   7          1HB       HIS   7  -8.102   4.925   1.278
   40    HD2  HIS   7           2HD      HIS   7  -8.999   3.123   4.169
   41    HE1  HIS   7           1HE      HIS   7  -9.255   0.148   1.161
   42    HE2  HIS   7           2HE      HIS   7  -8.953   0.570   3.644
   43    H    HIS   8           H        HIS   8  -9.243   5.845   5.333
   44    HA   HIS   8           HA       HIS   8  -7.646   6.086   6.925
   45   1HB   HIS   8          2HB       HIS   8  -5.626   5.337   4.806
   46   2HB   HIS   8          1HB       HIS   8  -5.363   5.349   6.543
   47    HD2  HIS   8           2HD      HIS   8  -5.043   2.658   4.619
   48    HE1  HIS   8           1HE      HIS   8  -8.389   1.376   6.869
   49    HE2  HIS   8           2HE      HIS   8  -6.356   0.620   5.549
   50    H    MET   9           H        MET   9  -5.139   6.919   4.730
   51    HA   MET   9           HA       MET   9  -5.363   9.723   5.557
   52   1HB   MET   9          2HB       MET   9  -3.006   8.591   4.090
   53   2HB   MET   9          1HB       MET   9  -3.067   9.948   5.205
   54   1HG   MET   9          2HG       MET   9  -3.158   8.540   7.084
   55   2HG   MET   9          1HG       MET   9  -3.557   7.128   6.107
   56   1HE   MET   9          1HE       MET   9   0.577   9.060   6.614
   57   2HE   MET   9          2HE       MET   9  -0.896   9.968   6.267
   58   3HE   MET   9          3HE       MET   9  -0.721   9.125   7.806
   59    H    GLU  10           H        GLU  10  -5.507  11.375   4.092
   60    HA   GLU  10           HA       GLU  10  -6.578  10.694   1.518
   61   1HB   GLU  10          2HB       GLU  10  -6.455  13.327   1.335
   62   2HB   GLU  10          1HB       GLU  10  -7.674  12.533   2.320
   63   1HG   GLU  10          2HG       GLU  10  -6.560  13.050   4.315
   64   2HG   GLU  10          1HG       GLU  10  -5.063  13.450   3.473
   65    H    PHE  11           H        PHE  11  -3.506  10.871   2.608
   66    HA   PHE  11           HA       PHE  11  -2.478  11.125  -0.088
   67   1HB   PHE  11          2HB       PHE  11  -0.601  12.612   0.687
   68   2HB   PHE  11          1HB       PHE  11  -2.174  13.396   0.633
   69    HD1  PHE  11           1HD      PHE  11   0.484  12.130   2.810
   70    HD2  PHE  11           2HD      PHE  11  -3.278  14.113   2.648
   71    HE1  PHE  11           1HE      PHE  11   0.755  12.830   5.151
   72    HE2  PHE  11           2HE      PHE  11  -3.012  14.812   4.989
   73    HZ   PHE  11           HZ       PHE  11  -0.996  14.170   6.245
   74    H    CYS  12           H        CYS  12  -0.409  10.100  -0.332
   75    HA   CYS  12           HA       CYS  12  -0.029   7.926   1.510
   76   1HB   CYS  12          2HB       CYS  12   0.738   7.037  -0.401
   77   2HB   CYS  12          1HB       CYS  12   0.834   8.617  -1.165
   78    HG   CYS  12           HG       CYS  12   3.339   8.857  -1.140
   79    H    ARG  13           H        ARG  13   1.297   7.840   3.172
   80    HA   ARG  13           HA       ARG  13   2.176  10.024   4.472
   81   1HB   ARG  13          2HB       ARG  13   2.072   7.487   5.138
   82   2HB   ARG  13          1HB       ARG  13   3.793   7.526   4.780
   83   1HG   ARG  13          2HG       ARG  13   3.779   9.603   6.355
   84   2HG   ARG  13          1HG       ARG  13   2.275   8.893   6.946
   85   1HD   ARG  13          2HD       ARG  13   4.978   7.561   6.852
   86   2HD   ARG  13          1HD       ARG  13   4.147   8.141   8.293
   87    HE   ARG  13           HE       ARG  13   3.581   5.719   6.786
   88   1HH1  ARG  13          2HH1      ARG  13   2.474   7.974   9.247
   89   2HH1  ARG  13          1HH1      ARG  13   1.472   6.790  10.048
   90   1HH2  ARG  13          2HH2      ARG  13   2.277   4.187   7.838
   91   2HH2  ARG  13          1HH2      ARG  13   1.317   4.653   9.214
   92    H    VAL  14           H        VAL  14   4.237   8.065   2.332
   93    HA   VAL  14           HA       VAL  14   6.557   9.594   2.942
   94    HB   VAL  14           HB       VAL  14   6.184   7.659   0.663
   95   1HG1  VAL  14          1HG1      VAL  14   8.236   9.290   0.880
   96   2HG1  VAL  14          2HG1      VAL  14   8.766   8.109   2.080
   97   3HG1  VAL  14          3HG1      VAL  14   8.464   7.603   0.417
   98   1HG2  VAL  14          1HG2      VAL  14   5.596   6.454   2.592
   99   2HG2  VAL  14          2HG2      VAL  14   7.291   6.061   2.310
  100   3HG2  VAL  14          3HG2      VAL  14   6.852   7.224   3.559
  101    H    CYS  15           H        CYS  15   4.222   9.674   0.323
  102    HA   CYS  15           HA       CYS  15   5.774  11.495  -1.298
  103   1HB   CYS  15          2HB       CYS  15   2.943  10.475  -1.436
  104   2HB   CYS  15          1HB       CYS  15   3.490  11.782  -2.473
  105    H    LYS  16           H        LYS  16   3.179  11.624   1.005
  106    HA   LYS  16           HA       LYS  16   1.982  13.287   1.975
  107   1HB   LYS  16          2HB       LYS  16   4.452  14.634   1.408
  108   2HB   LYS  16          1HB       LYS  16   3.117  15.701   0.991
  109   1HG   LYS  16          2HG       LYS  16   2.998  14.287   3.593
  110   2HG   LYS  16          1HG       LYS  16   4.142  15.620   3.423
  111   1HD   LYS  16          2HD       LYS  16   1.634  16.388   2.292
  112   2HD   LYS  16          1HD       LYS  16   1.361  15.752   3.915
  113   1HE   LYS  16          2HE       LYS  16   3.384  17.272   4.548
  114   2HE   LYS  16          1HE       LYS  16   2.990  18.103   3.044
  115   1HZ   LYS  16          1HZ       LYS  16   0.983  17.606   5.172
  116   2HZ   LYS  16          2HZ       LYS  16   0.859  18.655   3.843
  117   3HZ   LYS  16          3HZ       LYS  16   1.929  19.015   5.108
  118    H    ASP  17           H        ASP  17   1.786  12.107  -0.660
  119    HA   ASP  17           HA       ASP  17  -0.108  13.955  -1.868
  120   1HB   ASP  17          2HB       ASP  17   2.153  14.139  -3.020
  121   2HB   ASP  17          1HB       ASP  17   1.922  12.471  -3.534
  122    H    GLY  18           H        GLY  18  -1.771  12.940  -3.024
  123   1HA   GLY  18          1HA       GLY  18  -2.190  10.188  -2.168
  124   2HA   GLY  18          2HA       GLY  18  -3.397  11.269  -2.859
  125    H    GLY  19           H        GLY  19  -4.163  10.441  -4.676
  126   1HA   GLY  19          1HA       GLY  19  -3.935   9.959  -6.988
  127   2HA   GLY  19          2HA       GLY  19  -2.260   9.511  -6.705
  128    H    GLU  20           H        GLU  20  -1.907   7.443  -7.005
  129    HA   GLU  20           HA       GLU  20  -4.059   5.503  -6.829
  130   1HB   GLU  20          2HB       GLU  20  -1.666   5.742  -8.279
  131   2HB   GLU  20          1HB       GLU  20  -1.428   4.371  -7.206
  132   1HG   GLU  20          2HG       GLU  20  -2.354   3.805  -9.459
  133   2HG   GLU  20          1HG       GLU  20  -3.314   3.235  -8.094
  134    H    LEU  21           H        LEU  21  -4.212   6.103  -4.451
  135    HA   LEU  21           HA       LEU  21  -2.071   5.373  -2.759
  136   1HB   LEU  21          2HB       LEU  21  -4.779   6.478  -2.423
  137   2HB   LEU  21          1HB       LEU  21  -4.116   5.633  -1.033
  138    HG   LEU  21           HG       LEU  21  -2.555   7.773  -2.442
  139   1HD1  LEU  21          1HD1      LEU  21  -4.614   8.844  -1.831
  140   2HD1  LEU  21          2HD1      LEU  21  -4.553   8.122  -0.222
  141   3HD1  LEU  21          3HD1      LEU  21  -3.350   9.322  -0.693
  142   1HD2  LEU  21          1HD2      LEU  21  -1.072   6.870  -1.032
  143   2HD2  LEU  21          2HD2      LEU  21  -1.917   7.841   0.177
  144   3HD2  LEU  21          3HD2      LEU  21  -2.321   6.135  -0.024
  145    H    LEU  22           H        LEU  22  -1.515   3.596  -1.927
  146    HA   LEU  22           HA       LEU  22  -3.261   1.246  -1.932
  147   1HB   LEU  22          2HB       LEU  22  -0.495   1.661  -2.186
  148   2HB   LEU  22          1HB       LEU  22  -0.702   0.928  -0.609
  149    HG   LEU  22           HG       LEU  22  -1.738  -1.015  -1.574
  150   1HD1  LEU  22          1HD1      LEU  22  -1.640   0.549  -4.140
  151   2HD1  LEU  22          2HD1      LEU  22  -1.893  -1.195  -4.077
  152   3HD1  LEU  22          3HD1      LEU  22  -3.056  -0.109  -3.320
  153   1HD2  LEU  22          1HD2      LEU  22   0.246  -1.213  -3.516
  154   2HD2  LEU  22          2HD2      LEU  22   0.897  -0.100  -2.314
  155   3HD2  LEU  22          3HD2      LEU  22   0.359  -1.708  -1.828
  156    H    CYS  23           H        CYS  23  -4.105   0.370  -0.042
  157    HA   CYS  23           HA       CYS  23  -3.401   1.686   2.487
  158   1HB   CYS  23          2HB       CYS  23  -6.172   1.471   1.310
  159   2HB   CYS  23          1HB       CYS  23  -5.863   1.857   3.001
  160    HG   CYS  23           HG       CYS  23  -4.133   3.809   0.948
  161    H    CYS  24           H        CYS  24  -3.170   0.339   4.098
  162    HA   CYS  24           HA       CYS  24  -3.429  -2.455   3.869
  163   1HB   CYS  24          2HB       CYS  24  -1.884  -1.199   5.407
  164   2HB   CYS  24          1HB       CYS  24  -3.275  -0.806   6.402
  165    H    ASP  25           H        ASP  25  -4.832  -3.866   5.012
  166    HA   ASP  25           HA       ASP  25  -7.491  -2.712   5.487
  167   1HB   ASP  25          2HB       ASP  25  -6.965  -4.791   3.909
  168   2HB   ASP  25          1HB       ASP  25  -7.079  -5.665   5.434
  169    H    THR  26           H        THR  26  -4.808  -3.340   7.136
  170    HA   THR  26           HA       THR  26  -6.273  -4.211   9.540
  171    HB   THR  26           HB       THR  26  -3.390  -4.388   9.790
  172    HG1  THR  26           1HG      THR  26  -3.413  -4.867   7.574
  173   1HG2  THR  26          1HG2      THR  26  -3.985  -6.712  10.449
  174   2HG2  THR  26          2HG2      THR  26  -5.656  -6.369  10.000
  175   3HG2  THR  26          3HG2      THR  26  -4.897  -5.481  11.320
  176    H    CYS  27           H        CYS  27  -3.496  -2.229   8.495
  177    HA   CYS  27           HA       CYS  27  -3.999  -0.418  10.757
  178   1HB   CYS  27          2HB       CYS  27  -1.662   0.067   9.016
  179   2HB   CYS  27          1HB       CYS  27  -1.786   0.101  10.771
  180    HA   PRO  28           HA       PRO  28  -5.459   2.548   7.817
  181   1HB   PRO  28          2HB       PRO  28  -5.300   4.815   9.255
  182   2HB   PRO  28          1HB       PRO  28  -6.435   3.522   9.659
  183   1HG   PRO  28          2HG       PRO  28  -3.896   4.299  10.983
  184   2HG   PRO  28          1HG       PRO  28  -5.340   3.548  11.678
  185   1HD   PRO  28          2HD       PRO  28  -2.933   2.255  10.928
  186   2HD   PRO  28          1HD       PRO  28  -4.451   1.486  11.427
  187    H    SER  29           H        SER  29  -2.858   1.847   7.186
  188    HA   SER  29           HA       SER  29  -1.404   4.361   6.848
  189   1HB   SER  29          2HB       SER  29  -0.139   1.939   5.803
  190   2HB   SER  29          1HB       SER  29   0.482   3.136   6.942
  191    HG   SER  29           HG       SER  29  -0.385   0.692   7.461
  192    H    SER  30           H        SER  30  -1.253   5.376   4.953
  193    HA   SER  30           HA       SER  30  -2.175   3.957   2.548
  194   1HB   SER  30          2HB       SER  30  -2.258   6.947   2.992
  195   2HB   SER  30          1HB       SER  30  -3.027   6.032   1.695
  196    HG   SER  30           HG       SER  30  -4.528   5.280   3.084
  197    H    TYR  31           H        TYR  31  -0.625   3.545   1.132
  198    HA   TYR  31           HA       TYR  31   1.719   5.338   0.978
  199   1HB   TYR  31          2HB       TYR  31   1.703   2.315   1.072
  200   2HB   TYR  31          1HB       TYR  31   3.112   3.277   0.656
  201    HD1  TYR  31           1HD      TYR  31   1.599   1.528   3.209
  202    HD2  TYR  31           2HD      TYR  31   3.599   5.209   2.482
  203    HE1  TYR  31           1HE      TYR  31   2.203   1.662   5.586
  204    HE2  TYR  31           2HE      TYR  31   4.208   5.356   4.857
  205    HH   TYR  31           HH       TYR  31   4.096   2.812   6.937
  206    H    HIS  32           H        HIS  32   3.066   3.735  -0.920
  207    HA   HIS  32           HA       HIS  32   1.249   3.397  -3.178
  208   1HB   HIS  32          2HB       HIS  32   3.724   5.110  -3.164
  209   2HB   HIS  32          1HB       HIS  32   3.251   4.263  -4.630
  210    HD2  HIS  32           2HD      HIS  32   0.418   4.922  -5.309
  211    HE1  HIS  32           1HE      HIS  32   0.985   8.828  -3.820
  212    HE2  HIS  32           2HE      HIS  32  -0.317   7.407  -5.454
  213    H    ILE  33           H        ILE  33   2.931   2.385  -5.018
  214    HA   ILE  33           HA       ILE  33   3.805  -0.063  -3.770
  215    HB   ILE  33           HB       ILE  33   4.509  -0.669  -6.137
  216   1HG1  ILE  33          2HG1      ILE  33   2.766   1.588  -7.038
  217   1HG2  ILE  33          1HG2      ILE  33   2.340  -1.334  -6.676
  218   2HG2  ILE  33          2HG2      ILE  33   2.329  -1.184  -4.919
  219   3HG2  ILE  33          3HG2      ILE  33   1.619   0.086  -5.917
  220   1HD1  ILE  33          1HD1      ILE  33   4.484   1.444  -8.965
  221   2HD1  ILE  33          2HD1      ILE  33   4.862  -0.135  -8.278
  222   3HD1  ILE  33          3HD1      ILE  33   3.224   0.219  -8.831
  223    H    HIS  34           H        HIS  34   5.287   2.887  -4.232
  224    HA   HIS  34           HA       HIS  34   7.952   1.634  -4.142
  225   1HB   HIS  34          2HB       HIS  34   8.509   4.081  -5.204
  226   2HB   HIS  34          1HB       HIS  34   8.298   2.615  -6.152
  227    HD2  HIS  34           2HD      HIS  34   5.774   5.387  -4.857
  228    HE1  HIS  34           1HE      HIS  34   4.889   4.299  -8.849
  229    HE2  HIS  34           2HE      HIS  34   4.352   5.913  -6.968
  230    H    CYS  35           H        CYS  35   5.805   3.203  -2.338
  231    HA   CYS  35           HA       CYS  35   7.765   4.952  -1.040
  232   1HB   CYS  35          2HB       CYS  35   4.794   4.982  -0.543
  233   2HB   CYS  35          1HB       CYS  35   5.973   6.263  -0.249
  234    H    LEU  36           H        LEU  36   7.564   2.057  -0.795
  235    HA   LEU  36           HA       LEU  36   7.336   1.927   2.138
  236   1HB   LEU  36          2HB       LEU  36   7.345  -0.621   0.653
  237   2HB   LEU  36          1HB       LEU  36   6.430  -0.154   2.074
  238    HG   LEU  36           HG       LEU  36   5.532   1.213  -0.339
  239   1HD1  LEU  36          1HD1      LEU  36   5.796  -0.574  -1.694
  240   2HD1  LEU  36          2HD1      LEU  36   5.879  -1.717  -0.352
  241   3HD1  LEU  36          3HD1      LEU  36   4.316  -1.106  -0.893
  242   1HD2  LEU  36          1HD2      LEU  36   4.453  -0.095   2.067
  243   2HD2  LEU  36          2HD2      LEU  36   3.963   1.399   1.269
  244   3HD2  LEU  36          3HD2      LEU  36   3.422  -0.155   0.638
  245    H    ASN  37           H        ASN  37   8.739  -0.439   2.494
  246    HA   ASN  37           HA       ASN  37  11.433   0.398   1.858
  247   1HB   ASN  37          2HB       ASN  37  10.744  -0.672   4.061
  248   2HB   ASN  37          1HB       ASN  37  10.639  -2.192   3.183
  249   1HD2  ASN  37          1HD2      ASN  37  12.828   0.455   3.977
  250   2HD2  ASN  37          2HD2      ASN  37  14.273  -0.504   3.962
  251    HA   PRO  38           HA       PRO  38  11.297  -3.387  -1.000
  252   1HB   PRO  38          2HB       PRO  38   9.164  -5.003  -1.116
  253   2HB   PRO  38          1HB       PRO  38  10.387  -5.177   0.149
  254   1HG   PRO  38          2HG       PRO  38   7.656  -4.012   0.298
  255   2HG   PRO  38          1HG       PRO  38   8.573  -4.898   1.526
  256   1HD   PRO  38          2HD       PRO  38   8.275  -2.114   1.353
  257   2HD   PRO  38          1HD       PRO  38   9.430  -2.989   2.374
  258    HA   PRO  39           HA       PRO  39   8.944  -0.920  -3.929
  259   1HB   PRO  39          2HB       PRO  39  10.800  -1.819  -5.957
  260   2HB   PRO  39          1HB       PRO  39  10.667  -0.223  -5.220
  261   1HG   PRO  39          2HG       PRO  39  12.789  -1.903  -4.833
  262   2HG   PRO  39          1HG       PRO  39  12.290  -0.660  -3.672
  263   1HD   PRO  39          2HD       PRO  39  11.760  -3.603  -3.643
  264   2HD   PRO  39          1HD       PRO  39  12.162  -2.514  -2.297
  265    H    LEU  40           H        LEU  40   7.075  -1.764  -4.606
  266    HA   LEU  40           HA       LEU  40   7.009  -4.423  -5.819
  267   1HB   LEU  40          2HB       LEU  40   4.653  -2.616  -5.325
  268   2HB   LEU  40          1HB       LEU  40   4.653  -4.354  -5.537
  269    HG   LEU  40           HG       LEU  40   5.949  -3.036  -3.160
  270   1HD1  LEU  40          1HD1      LEU  40   3.207  -4.233  -3.108
  271   2HD1  LEU  40          2HD1      LEU  40   3.979  -3.164  -1.937
  272   3HD1  LEU  40          3HD1      LEU  40   3.444  -2.529  -3.493
  273   1HD2  LEU  40          1HD2      LEU  40   4.830  -5.616  -2.697
  274   2HD2  LEU  40          2HD2      LEU  40   5.846  -5.684  -4.137
  275   3HD2  LEU  40          3HD2      LEU  40   6.518  -5.110  -2.611
  276    HA   PRO  41           HA       PRO  41   7.182  -2.314  -9.739
  277   1HB   PRO  41          2HB       PRO  41   7.156  -4.519 -11.317
  278   2HB   PRO  41          1HB       PRO  41   8.589  -4.005 -10.420
  279   1HG   PRO  41          2HG       PRO  41   6.590  -6.127  -9.752
  280   2HG   PRO  41          1HG       PRO  41   8.355  -6.162  -9.591
  281   1HD   PRO  41          2HD       PRO  41   6.678  -5.705  -7.498
  282   2HD   PRO  41          1HD       PRO  41   8.317  -5.029  -7.587
  283    H    GLU  42           H        GLU  42   4.669  -4.353  -8.620
  284    HA   GLU  42           HA       GLU  42   2.860  -3.218 -10.640
  285   1HB   GLU  42          2HB       GLU  42   1.708  -5.643  -9.863
  286   2HB   GLU  42          1HB       GLU  42   2.445  -5.278 -11.417
  287   1HG   GLU  42          2HG       GLU  42   3.620  -7.139 -10.872
  288   2HG   GLU  42          1HG       GLU  42   4.655  -5.922 -10.128
  289    H    ILE  43           H        ILE  43   0.762  -2.726  -9.884
  290    HA   ILE  43           HA       ILE  43   0.687  -2.229  -7.037
  291    HB   ILE  43           HB       ILE  43  -1.328  -0.945  -7.424
  292   1HG1  ILE  43          2HG1      ILE  43  -1.171  -1.525 -10.370
  293   1HG2  ILE  43          1HG2      ILE  43   0.518   0.388  -7.777
  294   2HG2  ILE  43          2HG2      ILE  43   1.003  -0.487  -9.230
  295   3HG2  ILE  43          3HG2      ILE  43  -0.384   0.603  -9.278
  296   1HD1  ILE  43          1HD1      ILE  43  -2.537   0.400  -9.370
  297   2HD1  ILE  43          2HD1      ILE  43  -3.328  -0.683 -10.514
  298   3HD1  ILE  43          3HD1      ILE  43  -3.619  -0.863  -8.784
  299    HA   PRO  44           HA       PRO  44  -1.409  -6.012  -6.162
  300   1HB   PRO  44          2HB       PRO  44  -2.019  -4.723  -3.577
  301   2HB   PRO  44          1HB       PRO  44  -1.107  -6.197  -3.907
  302   1HG   PRO  44          2HG       PRO  44   0.119  -3.961  -3.115
  303   2HG   PRO  44          1HG       PRO  44   0.863  -5.044  -4.309
  304   1HD   PRO  44          2HD       PRO  44  -0.590  -2.459  -4.734
  305   2HD   PRO  44          1HD       PRO  44   0.899  -3.052  -5.501
  306    H    ASN  45           H        ASN  45  -3.304  -6.281  -7.163
  307    HA   ASN  45           HA       ASN  45  -5.489  -4.432  -6.837
  308   1HB   ASN  45          2HB       ASN  45  -5.299  -5.375  -9.010
  309   2HB   ASN  45          1HB       ASN  45  -5.157  -7.010  -8.371
  310   1HD2  ASN  45          1HD2      ASN  45  -6.911  -8.216  -8.365
  311   2HD2  ASN  45          2HD2      ASN  45  -8.544  -7.642  -8.509
  312    H    GLY  46           H        GLY  46  -7.062  -4.544  -5.381
  313   1HA   GLY  46          1HA       GLY  46  -8.734  -5.855  -4.194
  314   2HA   GLY  46          2HA       GLY  46  -7.535  -7.130  -4.031
  315    H    GLU  47           H        GLU  47  -7.676  -7.230  -1.799
  316    HA   GLU  47           HA       GLU  47  -7.201  -4.851  -0.218
  317   1HB   GLU  47          2HB       GLU  47  -6.945  -7.102   1.443
  318   2HB   GLU  47          1HB       GLU  47  -8.333  -6.035   1.302
  319   1HG   GLU  47          2HG       GLU  47  -9.142  -8.225   1.032
  320   2HG   GLU  47          1HG       GLU  47  -9.130  -7.501  -0.576
  321    H    TRP  48           H        TRP  48  -5.283  -4.192   0.546
  322    HA   TRP  48           HA       TRP  48  -3.042  -6.086   0.454
  323   1HB   TRP  48          2HB       TRP  48  -2.625  -4.773  -1.472
  324   2HB   TRP  48          1HB       TRP  48  -3.174  -3.295  -0.695
  325    HD1  TRP  48           HD       TRP  48  -0.080  -5.470  -1.138
  326    HE1  TRP  48           1HE      TRP  48   1.954  -4.224  -0.156
  327    HE3  TRP  48           3HE      TRP  48  -2.524  -1.607   1.117
  328    HZ2  TRP  48           2HZ      TRP  48   2.442  -1.912   1.399
  329    HZ3  TRP  48           3HZ      TRP  48  -1.227   0.074   2.324
  330    HH2  TRP  48           HH       TRP  48   1.214  -0.060   2.460
  331    H    LEU  49           H        LEU  49  -1.400  -5.630   2.038
  332    HA   LEU  49           HA       LEU  49  -2.221  -3.771   4.168
  333   1HB   LEU  49          2HB       LEU  49  -0.841  -6.274   4.958
  334   2HB   LEU  49          1HB       LEU  49  -2.068  -5.359   5.811
  335    HG   LEU  49           HG       LEU  49  -2.900  -6.834   3.362
  336   1HD1  LEU  49          1HD1      LEU  49  -1.774  -8.637   4.245
  337   2HD1  LEU  49          2HD1      LEU  49  -1.999  -8.101   5.910
  338   3HD1  LEU  49          3HD1      LEU  49  -3.352  -8.792   5.014
  339   1HD2  LEU  49          1HD2      LEU  49  -4.119  -5.521   5.587
  340   2HD2  LEU  49          2HD2      LEU  49  -4.870  -6.186   4.138
  341   3HD2  LEU  49          3HD2      LEU  49  -4.622  -7.211   5.553
  342    H    CYS  50           H        CYS  50  -0.403  -2.931   5.437
  343    HA   CYS  50           HA       CYS  50   1.836  -2.250   3.952
  344   1HB   CYS  50          2HB       CYS  50   2.347  -2.449   6.858
  345   2HB   CYS  50          1HB       CYS  50   2.567  -1.087   5.772
  346    HA   PRO  51           HA       PRO  51   4.473  -5.713   3.737
  347   1HB   PRO  51          2HB       PRO  51   6.789  -4.036   4.522
  348   2HB   PRO  51          1HB       PRO  51   6.503  -4.943   3.033
  349   1HG   PRO  51          2HG       PRO  51   6.309  -2.292   3.046
  350   2HG   PRO  51          1HG       PRO  51   5.163  -3.281   2.120
  351   1HD   PRO  51          2HD       PRO  51   4.796  -1.955   4.786
  352   2HD   PRO  51          1HD       PRO  51   3.677  -2.035   3.407
  353    H    ARG  52           H        ARG  52   3.315  -5.507   6.313
  354    HA   ARG  52           HA       ARG  52   5.209  -7.144   7.770
  355   1HB   ARG  52          2HB       ARG  52   4.306  -5.615   9.870
  356   2HB   ARG  52          1HB       ARG  52   5.895  -5.493   9.135
  357   1HG   ARG  52          2HG       ARG  52   5.487  -3.411   8.519
  358   2HG   ARG  52          1HG       ARG  52   4.053  -3.920   7.630
  359   1HD   ARG  52          2HD       ARG  52   2.967  -3.976  10.011
  360   2HD   ARG  52          1HD       ARG  52   4.292  -2.888  10.417
  361    HE   ARG  52           HE       ARG  52   2.476  -2.296   8.175
  362   1HH1  ARG  52          2HH1      ARG  52   3.926  -1.398  11.234
  363   2HH1  ARG  52          1HH1      ARG  52   3.334   0.236  11.180
  364   1HH2  ARG  52          2HH2      ARG  52   1.702  -0.159   8.091
  365   2HH2  ARG  52          1HH2      ARG  52   2.093   0.950   9.381
  366    H    CYS  53           H        CYS  53   2.035  -5.792   7.365
  367    HA   CYS  53           HA       CYS  53   0.759  -7.457   9.318
  368   1HB   CYS  53          2HB       CYS  53  -0.942  -6.127   7.365
  369   2HB   CYS  53          1HB       CYS  53  -0.808  -5.855   9.112
  370    H    THR  54           H        THR  54   1.848  -7.963   6.227
  371    HA   THR  54           HA       THR  54  -0.192  -9.504   5.041
  372    HB   THR  54           HB       THR  54   2.016 -10.540   3.921
  373    HG1  THR  54           1HG      THR  54   3.600  -9.611   5.111
  374   1HG2  THR  54          1HG2      THR  54   0.178  -8.585   3.280
  375   2HG2  THR  54          2HG2      THR  54   1.410  -9.238   2.199
  376   3HG2  THR  54          3HG2      THR  54   1.725  -7.757   3.103
  377    H    CYS  55           H        CYS  55  -0.925 -11.446   5.585
  378    HA   CYS  55           HA       CYS  55  -1.077 -13.571   6.391
  379   1HB   CYS  55          2HB       CYS  55   1.904 -13.313   6.827
  380   2HB   CYS  55          1HB       CYS  55   0.982 -14.771   7.183
  381    HG   CYS  55           HG       CYS  55   0.671 -13.547   4.052
  382    HA   PRO  56           HA       PRO  56  -2.128 -12.645  10.522
  383   1HB   PRO  56          2HB       PRO  56  -1.888 -15.527  11.147
  384   2HB   PRO  56          1HB       PRO  56  -3.290 -14.460  11.270
  385   1HG   PRO  56          2HG       PRO  56  -3.108 -16.289   9.330
  386   2HG   PRO  56          1HG       PRO  56  -3.840 -14.700   9.037
  387   1HD   PRO  56          2HD       PRO  56  -1.130 -15.713   8.282
  388   2HD   PRO  56          1HD       PRO  56  -2.239 -14.668   7.370
  389    H    ALA  57           H        ALA  57   0.708 -14.544   9.907
  390    HA   ALA  57           HA       ALA  57   2.712 -14.724  10.942
  391   1HB   ALA  57          1HB       ALA  57   3.204 -12.933  12.753
  392   2HB   ALA  57          2HB       ALA  57   3.039 -12.439  11.069
  393   3HB   ALA  57          3HB       ALA  57   1.700 -12.202  12.192
  394    H    LEU  58           H        LEU  58   0.925 -16.515  11.706
  395    HA   LEU  58           HA       LEU  58   0.660 -16.601  14.589
  396   1HB   LEU  58          2HB       LEU  58   0.218 -18.959  12.793
  397   2HB   LEU  58          1HB       LEU  58  -0.591 -18.549  14.293
  398    HG   LEU  58           HG       LEU  58  -1.163 -16.484  12.426
  399   1HD1  LEU  58          1HD1      LEU  58  -1.932 -19.170  11.330
  400   2HD1  LEU  58          2HD1      LEU  58  -2.093 -17.585  10.573
  401   3HD1  LEU  58          3HD1      LEU  58  -0.496 -18.306  10.784
  402   1HD2  LEU  58          1HD2      LEU  58  -2.457 -18.082  14.334
  403   2HD2  LEU  58          2HD2      LEU  58  -3.108 -16.688  13.470
  404   3HD2  LEU  58          3HD2      LEU  58  -3.336 -18.314  12.823
  405    H    LYS  59           H        LYS  59   2.477 -18.270  12.066
  406    HA   LYS  59           HA       LYS  59   4.501 -18.958  14.090
  407   1HB   LYS  59          2HB       LYS  59   4.188 -20.816  11.786
  408   2HB   LYS  59          1HB       LYS  59   4.712 -21.149  13.429
  409   1HG   LYS  59          2HG       LYS  59   2.408 -21.028  14.202
  410   2HG   LYS  59          1HG       LYS  59   1.868 -20.665  12.560
  411   1HD   LYS  59          2HD       LYS  59   2.085 -22.807  11.879
  412   2HD   LYS  59          1HD       LYS  59   3.534 -23.078  12.850
  413   1HE   LYS  59          2HE       LYS  59   0.715 -22.965  13.917
  414   2HE   LYS  59          1HE       LYS  59   1.622 -24.441  13.592
  415   1HZ   LYS  59          1HZ       LYS  59   3.316 -23.091  15.183
  416   2HZ   LYS  59          2HZ       LYS  59   2.209 -24.256  15.727
  417   3HZ   LYS  59          3HZ       LYS  59   1.813 -22.610  15.815
  418    H    GLY  60           H        GLY  60   5.013 -16.758  13.061
  419   1HA   GLY  60          1HA       GLY  60   6.695 -15.677  11.809
  420   2HA   GLY  60          2HA       GLY  60   6.911 -17.150  10.868
  421    H    LYS  61           H        LYS  61   4.510 -17.748   9.958
  422    HA   LYS  61           HA       LYS  61   3.538 -15.353   8.550
  423   1HB   LYS  61          2HB       LYS  61   3.831 -18.195   7.592
  424   2HB   LYS  61          1HB       LYS  61   2.666 -17.105   6.852
  425   1HG   LYS  61          2HG       LYS  61   4.285 -16.398   5.519
  426   2HG   LYS  61          1HG       LYS  61   5.060 -15.674   6.930
  427   1HD   LYS  61          2HD       LYS  61   5.862 -18.221   7.223
  428   2HD   LYS  61          1HD       LYS  61   5.716 -18.151   5.465
  429   1HE   LYS  61          2HE       LYS  61   7.555 -16.908   5.269
  430   2HE   LYS  61          1HE       LYS  61   7.032 -15.805   6.542
  431   1HZ   LYS  61          1HZ       LYS  61   7.786 -18.241   7.719
  432   2HZ   LYS  61          2HZ       LYS  61   8.503 -16.715   7.900
  433   3HZ   LYS  61          3HZ       LYS  61   9.024 -17.752   6.664
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -13.658  10.482   4.316
    2   2H    GLY   1          2H        GLY   1 -14.020  11.493   5.630
    3   3H    GLY   1          3H        GLY   1 -14.466  11.949   4.057
    4   1HA   GLY   1          2HA       GLY   1 -15.536   9.616   5.539
    5   2HA   GLY   1          1HA       GLY   1 -16.375  11.143   5.303
    6    HA   PRO   2           HA       PRO   2 -17.365   8.108   1.819
    7   1HB   PRO   2          2HB       PRO   2 -20.139   8.696   2.631
    8   2HB   PRO   2          1HB       PRO   2 -19.363   7.138   2.325
    9   1HG   PRO   2          2HG       PRO   2 -20.008   7.913   4.808
   10   2HG   PRO   2          1HG       PRO   2 -18.540   6.972   4.480
   11   1HD   PRO   2          2HD       PRO   2 -18.835   9.913   4.973
   12   2HD   PRO   2          1HD       PRO   2 -17.601   8.788   5.580
   13    H    LEU   3           H        LEU   3 -18.197   8.694  -0.192
   14    HA   LEU   3           HA       LEU   3 -18.653  10.093  -1.921
   15   1HB   LEU   3          2HB       LEU   3 -20.573  10.717   0.114
   16   2HB   LEU   3          1HB       LEU   3 -20.126  12.194  -0.714
   17    HG   LEU   3           HG       LEU   3 -22.087  11.254  -1.754
   18   1HD1  LEU   3          1HD1      LEU   3 -19.666  10.807  -3.493
   19   2HD1  LEU   3          2HD1      LEU   3 -21.321  11.052  -4.052
   20   3HD1  LEU   3          3HD1      LEU   3 -20.469  12.353  -3.219
   21   1HD2  LEU   3          1HD2      LEU   3 -20.609   8.811  -2.606
   22   2HD2  LEU   3          2HD2      LEU   3 -21.341   8.864  -1.003
   23   3HD2  LEU   3          3HD2      LEU   3 -22.344   9.079  -2.438
   24    H    GLY   4           H        GLY   4 -16.212  10.462  -1.026
   25   1HA   GLY   4          1HA       GLY   4 -15.827  13.364  -1.266
   26   2HA   GLY   4          2HA       GLY   4 -15.032  12.512   0.052
   27    H    SER   5           H        SER   5 -12.990  12.005  -0.336
   28    HA   SER   5           HA       SER   5 -12.092  11.801  -3.119
   29   1HB   SER   5          2HB       SER   5  -9.937  11.523  -1.259
   30   2HB   SER   5          1HB       SER   5 -10.257  12.852  -2.373
   31    HG   SER   5           HG       SER   5 -11.596  13.786  -0.769
   32    H    ASP   6           H        ASP   6 -11.234  10.122  -0.092
   33    HA   ASP   6           HA       ASP   6 -11.960   7.549  -1.100
   34   1HB   ASP   6          2HB       ASP   6  -9.562   8.252  -2.068
   35   2HB   ASP   6          1HB       ASP   6  -9.042   7.685  -0.486
   36    H    HIS   7           H        HIS   7 -10.697   5.873   0.559
   37    HA   HIS   7           HA       HIS   7 -11.343   6.966   3.210
   38   1HB   HIS   7          2HB       HIS   7 -11.245   4.537   3.936
   39   2HB   HIS   7          1HB       HIS   7 -12.563   4.965   2.856
   40    HD2  HIS   7           2HD      HIS   7  -9.150   3.017   2.705
   41    HE1  HIS   7           1HE      HIS   7 -11.659   1.807  -0.480
   42    HE2  HIS   7           2HE      HIS   7  -9.412   1.464   0.637
   43    H    HIS   8           H        HIS   8  -9.910   5.655   4.946
   44    HA   HIS   8           HA       HIS   8  -7.897   5.503   5.969
   45   1HB   HIS   8          2HB       HIS   8  -7.117   4.884   3.136
   46   2HB   HIS   8          1HB       HIS   8  -5.884   5.047   4.377
   47    HD2  HIS   8           2HD      HIS   8  -5.202   2.404   4.357
   48    HE1  HIS   8           1HE      HIS   8  -8.981   0.961   5.589
   49    HE2  HIS   8           2HE      HIS   8  -6.577   0.328   5.077
   50    H    MET   9           H        MET   9  -5.667   6.553   3.762
   51    HA   MET   9           HA       MET   9  -5.757   9.272   4.858
   52   1HB   MET   9          2HB       MET   9  -3.572   7.473   3.987
   53   2HB   MET   9          1HB       MET   9  -3.353   9.194   3.696
   54   1HG   MET   9          2HG       MET   9  -2.694   9.443   5.781
   55   2HG   MET   9          1HG       MET   9  -4.284   8.922   6.337
   56   1HE   MET   9          1HE       MET   9  -2.449   7.565   8.767
   57   2HE   MET   9          2HE       MET   9  -4.056   8.005   8.193
   58   3HE   MET   9          3HE       MET   9  -3.644   6.308   8.447
   59    H    GLU  10           H        GLU  10  -5.378  11.064   3.517
   60    HA   GLU  10           HA       GLU  10  -6.475  10.805   0.848
   61   1HB   GLU  10          2HB       GLU  10  -5.338  13.357   1.938
   62   2HB   GLU  10          1HB       GLU  10  -6.716  13.122   0.872
   63   1HG   GLU  10          2HG       GLU  10  -7.834  13.649   2.763
   64   2HG   GLU  10          1HG       GLU  10  -7.687  11.912   3.020
   65    H    PHE  11           H        PHE  11  -3.459  10.840   2.357
   66    HA   PHE  11           HA       PHE  11  -2.122  10.790  -0.230
   67   1HB   PHE  11          2HB       PHE  11  -0.244  12.140   0.624
   68   2HB   PHE  11          1HB       PHE  11  -1.732  13.075   0.630
   69    HD1  PHE  11           1HD      PHE  11   1.010  11.885   2.572
   70    HD2  PHE  11           2HD      PHE  11  -3.003  13.283   2.836
   71    HE1  PHE  11           1HE      PHE  11   1.337  12.369   4.959
   72    HE2  PHE  11           2HE      PHE  11  -2.678  13.772   5.223
   73    HZ   PHE  11           HZ       PHE  11  -0.507  13.316   6.289
   74    H    CYS  12           H        CYS  12  -0.116   9.558  -0.126
   75    HA   CYS  12           HA       CYS  12  -0.217   7.506   1.906
   76   1HB   CYS  12          2HB       CYS  12   0.710   6.312   0.267
   77   2HB   CYS  12          1HB       CYS  12   0.837   7.753  -0.729
   78    HG   CYS  12           HG       CYS  12   3.346   8.053  -0.618
   79    H    ARG  13           H        ARG  13   0.761   7.659   3.785
   80    HA   ARG  13           HA       ARG  13   2.150  10.021   4.448
   81   1HB   ARG  13          2HB       ARG  13   2.528   8.507   6.655
   82   2HB   ARG  13          1HB       ARG  13   1.051   9.389   6.312
   83   1HG   ARG  13          2HG       ARG  13  -0.053   7.443   5.570
   84   2HG   ARG  13          1HG       ARG  13   1.458   6.531   5.496
   85   1HD   ARG  13          2HD       ARG  13   1.071   7.608   8.132
   86   2HD   ARG  13          1HD       ARG  13  -0.348   6.685   7.639
   87    HE   ARG  13           HE       ARG  13   2.188   5.371   7.175
   88   1HH1  ARG  13          2HH1      ARG  13  -0.361   5.944   9.510
   89   2HH1  ARG  13          1HH1      ARG  13  -0.117   4.433  10.335
   90   1HH2  ARG  13          2HH2      ARG  13   2.484   3.377   8.240
   91   2HH2  ARG  13          1HH2      ARG  13   1.476   2.963   9.597
   92    H    VAL  14           H        VAL  14   3.700   9.075   2.550
   93    HA   VAL  14           HA       VAL  14   6.198   8.600   3.974
   94    HB   VAL  14           HB       VAL  14   5.880   7.236   1.325
   95   1HG1  VAL  14          1HG1      VAL  14   8.104   7.466   2.189
   96   2HG1  VAL  14          2HG1      VAL  14   7.618   6.786   3.743
   97   3HG1  VAL  14          3HG1      VAL  14   7.627   5.772   2.299
   98   1HG2  VAL  14          1HG2      VAL  14   4.052   6.283   2.538
   99   2HG2  VAL  14          2HG2      VAL  14   5.374   5.114   2.529
  100   3HG2  VAL  14          3HG2      VAL  14   5.052   6.069   3.974
  101    H    CYS  15           H        CYS  15   4.662   9.333   0.858
  102    HA   CYS  15           HA       CYS  15   6.933  11.047   0.181
  103   1HB   CYS  15          2HB       CYS  15   6.242  10.829  -2.114
  104   2HB   CYS  15          1HB       CYS  15   6.289   9.228  -1.393
  105    H    LYS  16           H        LYS  16   3.991  11.353   1.578
  106    HA   LYS  16           HA       LYS  16   2.620  13.091   2.046
  107   1HB   LYS  16          2HB       LYS  16   4.664  14.753   0.561
  108   2HB   LYS  16          1HB       LYS  16   3.337  15.398   1.517
  109   1HG   LYS  16          2HG       LYS  16   4.613  15.332   3.320
  110   2HG   LYS  16          1HG       LYS  16   4.764  13.582   3.149
  111   1HD   LYS  16          2HD       LYS  16   6.938  13.931   2.819
  112   2HD   LYS  16          1HD       LYS  16   6.491  14.582   1.240
  113   1HE   LYS  16          2HE       LYS  16   6.127  16.564   3.292
  114   2HE   LYS  16          1HE       LYS  16   7.766  15.919   3.345
  115   1HZ   LYS  16          1HZ       LYS  16   7.401  16.300   0.712
  116   2HZ   LYS  16          2HZ       LYS  16   8.146  17.412   1.747
  117   3HZ   LYS  16          3HZ       LYS  16   6.503  17.586   1.355
  118    H    ASP  17           H        ASP  17   2.802  11.653  -0.728
  119    HA   ASP  17           HA       ASP  17   0.842  13.425  -2.013
  120   1HB   ASP  17          2HB       ASP  17   3.112  13.257  -3.166
  121   2HB   ASP  17          1HB       ASP  17   2.679  11.591  -3.540
  122    H    GLY  18           H        GLY  18  -0.780  12.398  -3.279
  123   1HA   GLY  18          1HA       GLY  18  -1.362   9.667  -2.317
  124   2HA   GLY  18          2HA       GLY  18  -2.590  10.873  -2.694
  125    H    GLY  19           H        GLY  19  -3.681  10.123  -4.380
  126   1HA   GLY  19          1HA       GLY  19  -3.865   9.950  -6.740
  127   2HA   GLY  19          2HA       GLY  19  -2.162   9.537  -6.825
  128    H    GLU  20           H        GLU  20  -1.603   7.477  -6.974
  129    HA   GLU  20           HA       GLU  20  -3.652   5.426  -7.036
  130   1HB   GLU  20          2HB       GLU  20  -1.073   5.807  -8.173
  131   2HB   GLU  20          1HB       GLU  20  -0.988   4.369  -7.168
  132   1HG   GLU  20          2HG       GLU  20  -2.205   3.167  -8.600
  133   2HG   GLU  20          1HG       GLU  20  -3.370   4.468  -8.842
  134    H    LEU  21           H        LEU  21  -4.049   6.015  -4.671
  135    HA   LEU  21           HA       LEU  21  -2.030   5.358  -2.798
  136   1HB   LEU  21          2HB       LEU  21  -4.815   6.340  -2.683
  137   2HB   LEU  21          1HB       LEU  21  -4.187   5.574  -1.234
  138    HG   LEU  21           HG       LEU  21  -3.069   7.998  -2.636
  139   1HD1  LEU  21          1HD1      LEU  21  -3.427   8.998  -0.372
  140   2HD1  LEU  21          2HD1      LEU  21  -4.904   8.594  -1.253
  141   3HD1  LEU  21          3HD1      LEU  21  -4.337   7.546   0.049
  142   1HD2  LEU  21          1HD2      LEU  21  -1.875   7.280  -0.099
  143   2HD2  LEU  21          2HD2      LEU  21  -1.599   6.060  -1.346
  144   3HD2  LEU  21          3HD2      LEU  21  -1.113   7.732  -1.626
  145    H    LEU  22           H        LEU  22  -1.430   3.486  -2.198
  146    HA   LEU  22           HA       LEU  22  -3.167   1.160  -2.408
  147   1HB   LEU  22          2HB       LEU  22  -0.608   1.421  -3.023
  148   2HB   LEU  22          1HB       LEU  22  -0.388   1.073  -1.321
  149    HG   LEU  22           HG       LEU  22  -1.517  -1.071  -1.583
  150   1HD1  LEU  22          1HD1      LEU  22  -1.661  -1.563  -4.272
  151   2HD1  LEU  22          2HD1      LEU  22  -3.032  -1.208  -3.221
  152   3HD1  LEU  22          3HD1      LEU  22  -2.276   0.085  -4.152
  153   1HD2  LEU  22          1HD2      LEU  22   0.142  -2.119  -3.160
  154   2HD2  LEU  22          2HD2      LEU  22   0.722  -0.488  -3.503
  155   3HD2  LEU  22          3HD2      LEU  22   0.830  -1.137  -1.867
  156    H    CYS  23           H        CYS  23  -4.601   1.194  -0.753
  157    HA   CYS  23           HA       CYS  23  -3.772   1.984   1.901
  158   1HB   CYS  23          2HB       CYS  23  -6.444   0.854   1.692
  159   2HB   CYS  23          1HB       CYS  23  -5.942   2.467   2.192
  160    HG   CYS  23           HG       CYS  23  -6.792   3.666   0.099
  161    H    CYS  24           H        CYS  24  -3.458   0.688   3.644
  162    HA   CYS  24           HA       CYS  24  -2.944  -2.077   3.271
  163   1HB   CYS  24          2HB       CYS  24  -1.831  -0.661   4.986
  164   2HB   CYS  24          1HB       CYS  24  -3.355  -0.546   5.852
  165    H    ASP  25           H        ASP  25  -4.103  -3.861   3.846
  166    HA   ASP  25           HA       ASP  25  -6.981  -3.502   4.085
  167   1HB   ASP  25          2HB       ASP  25  -5.845  -5.205   2.547
  168   2HB   ASP  25          1HB       ASP  25  -5.490  -6.128   4.003
  169    H    THR  26           H        THR  26  -4.475  -3.552   6.174
  170    HA   THR  26           HA       THR  26  -6.003  -4.946   8.271
  171    HB   THR  26           HB       THR  26  -3.265  -4.408   9.002
  172    HG1  THR  26           1HG      THR  26  -2.779  -4.539   6.806
  173   1HG2  THR  26          1HG2      THR  26  -3.273  -6.927   9.200
  174   2HG2  THR  26          2HG2      THR  26  -4.937  -6.883   8.618
  175   3HG2  THR  26          3HG2      THR  26  -4.513  -6.085  10.132
  176    H    CYS  27           H        CYS  27  -3.644  -2.260   7.966
  177    HA   CYS  27           HA       CYS  27  -5.078  -0.929  10.160
  178   1HB   CYS  27          2HB       CYS  27  -3.107   0.385  10.585
  179   2HB   CYS  27          1HB       CYS  27  -2.636  -1.305  10.516
  180    HA   PRO  28           HA       PRO  28  -6.617   1.995   7.279
  181   1HB   PRO  28          2HB       PRO  28  -6.710   4.076   9.314
  182   2HB   PRO  28          1HB       PRO  28  -8.037   3.147   8.613
  183   1HG   PRO  28          2HG       PRO  28  -7.229   2.858  11.187
  184   2HG   PRO  28          1HG       PRO  28  -7.943   1.538  10.243
  185   1HD   PRO  28          2HD       PRO  28  -5.056   2.090  10.849
  186   2HD   PRO  28          1HD       PRO  28  -5.935   0.543  10.860
  187    H    SER  29           H        SER  29  -4.076   1.903   6.663
  188    HA   SER  29           HA       SER  29  -3.193   4.714   6.581
  189   1HB   SER  29          2HB       SER  29  -1.171   2.534   6.411
  190   2HB   SER  29          1HB       SER  29  -1.025   4.155   7.085
  191    HG   SER  29           HG       SER  29  -1.896   1.793   8.268
  192    H    SER  30           H        SER  30  -2.306   5.448   4.645
  193    HA   SER  30           HA       SER  30  -2.726   3.652   2.350
  194   1HB   SER  30          2HB       SER  30  -2.706   6.679   2.371
  195   2HB   SER  30          1HB       SER  30  -3.073   5.647   0.990
  196    HG   SER  30           HG       SER  30  -5.051   5.705   1.666
  197    H    TYR  31           H        TYR  31  -1.089   3.196   1.026
  198    HA   TYR  31           HA       TYR  31   1.462   4.634   1.387
  199   1HB   TYR  31          2HB       TYR  31   0.859   1.691   1.365
  200   2HB   TYR  31          1HB       TYR  31   2.432   2.264   0.827
  201    HD1  TYR  31           1HD      TYR  31   3.981   3.315   2.405
  202    HD2  TYR  31           2HD      TYR  31   0.233   1.770   3.693
  203    HE1  TYR  31           1HE      TYR  31   4.756   3.392   4.734
  204    HE2  TYR  31           2HE      TYR  31   1.004   1.832   6.028
  205    HH   TYR  31           HH       TYR  31   3.043   1.838   7.288
  206    H    HIS  32           H        HIS  32   2.869   3.125  -0.532
  207    HA   HIS  32           HA       HIS  32   1.360   3.329  -3.014
  208   1HB   HIS  32          2HB       HIS  32   3.724   4.995  -2.324
  209   2HB   HIS  32          1HB       HIS  32   3.700   4.294  -3.937
  210    HD2  HIS  32           2HD      HIS  32   0.840   4.805  -5.013
  211    HE1  HIS  32           1HE      HIS  32   1.226   8.753  -3.569
  212    HE2  HIS  32           2HE      HIS  32   0.135   7.280  -5.315
  213    H    ILE  33           H        ILE  33   3.351   2.718  -4.784
  214    HA   ILE  33           HA       ILE  33   4.059   0.019  -3.917
  215    HB   ILE  33           HB       ILE  33   4.541  -0.385  -6.321
  216   1HG1  ILE  33          2HG1      ILE  33   3.179   2.205  -6.962
  217   1HG2  ILE  33          1HG2      ILE  33   2.364  -0.854  -6.761
  218   2HG2  ILE  33          2HG2      ILE  33   2.208  -0.452  -5.051
  219   3HG2  ILE  33          3HG2      ILE  33   1.807   0.748  -6.278
  220   1HD1  ILE  33          1HD1      ILE  33   4.644   2.038  -8.984
  221   2HD1  ILE  33          2HD1      ILE  33   5.094   0.425  -8.431
  222   3HD1  ILE  33          3HD1      ILE  33   3.414   0.783  -8.830
  223    H    HIS  34           H        HIS  34   5.464   3.031  -4.136
  224    HA   HIS  34           HA       HIS  34   8.156   1.853  -4.216
  225   1HB   HIS  34          2HB       HIS  34   8.727   4.236  -5.251
  226   2HB   HIS  34          1HB       HIS  34   8.240   2.884  -6.265
  227    HD2  HIS  34           2HD      HIS  34   6.108   5.666  -4.411
  228    HE1  HIS  34           1HE      HIS  34   4.832   5.242  -8.421
  229    HE2  HIS  34           2HE      HIS  34   4.612   6.619  -6.307
  230    H    CYS  35           H        CYS  35   6.073   3.132  -2.222
  231    HA   CYS  35           HA       CYS  35   7.988   4.928  -0.913
  232   1HB   CYS  35          2HB       CYS  35   4.992   4.754  -0.507
  233   2HB   CYS  35          1HB       CYS  35   6.078   5.928   0.237
  234    H    LEU  36           H        LEU  36   8.003   2.034  -0.875
  235    HA   LEU  36           HA       LEU  36   8.023   1.704   2.030
  236   1HB   LEU  36          2HB       LEU  36   7.542  -0.852   0.859
  237   2HB   LEU  36          1HB       LEU  36   6.582   0.002   2.047
  238    HG   LEU  36           HG       LEU  36   6.166   0.893  -0.727
  239   1HD1  LEU  36          1HD1      LEU  36   4.512  -1.302  -0.626
  240   2HD1  LEU  36          2HD1      LEU  36   5.969  -1.148  -1.609
  241   3HD1  LEU  36          3HD1      LEU  36   6.049  -1.933  -0.030
  242   1HD2  LEU  36          1HD2      LEU  36   4.278   0.016   1.448
  243   2HD2  LEU  36          2HD2      LEU  36   4.862   1.663   1.220
  244   3HD2  LEU  36          3HD2      LEU  36   3.865   0.903  -0.020
  245    H    ASN  37           H        ASN  37   9.147  -0.794   2.173
  246    HA   ASN  37           HA       ASN  37  11.812  -0.269   1.232
  247   1HB   ASN  37          2HB       ASN  37  11.383  -1.284   3.456
  248   2HB   ASN  37          1HB       ASN  37  10.758  -2.723   2.656
  249   1HD2  ASN  37          1HD2      ASN  37  12.252  -4.191   3.276
  250   2HD2  ASN  37          2HD2      ASN  37  13.937  -4.092   2.879
  251    HA   PRO  38           HA       PRO  38  11.047  -3.891  -1.707
  252   1HB   PRO  38          2HB       PRO  38   8.826  -5.382  -1.614
  253   2HB   PRO  38          1HB       PRO  38  10.157  -5.644  -0.483
  254   1HG   PRO  38          2HG       PRO  38   7.529  -4.337  -0.045
  255   2HG   PRO  38          1HG       PRO  38   8.513  -5.283   1.081
  256   1HD   PRO  38          2HD       PRO  38   8.351  -2.472   0.927
  257   2HD   PRO  38          1HD       PRO  38   9.530  -3.416   1.856
  258    HA   PRO  39           HA       PRO  39   8.494  -1.068  -4.131
  259   1HB   PRO  39          2HB       PRO  39  10.033  -1.052  -6.346
  260   2HB   PRO  39          1HB       PRO  39  10.465  -0.151  -4.887
  261   1HG   PRO  39          2HG       PRO  39  11.496  -2.777  -5.875
  262   2HG   PRO  39          1HG       PRO  39  12.377  -1.443  -5.110
  263   1HD   PRO  39          2HD       PRO  39  11.576  -3.719  -3.798
  264   2HD   PRO  39          1HD       PRO  39  11.866  -2.159  -3.004
  265    H    LEU  40           H        LEU  40   6.662  -2.022  -4.711
  266    HA   LEU  40           HA       LEU  40   6.633  -4.431  -6.329
  267   1HB   LEU  40          2HB       LEU  40   4.044  -3.185  -5.957
  268   2HB   LEU  40          1HB       LEU  40   4.595  -4.776  -5.470
  269    HG   LEU  40           HG       LEU  40   5.457  -2.454  -3.820
  270   1HD1  LEU  40          1HD1      LEU  40   3.338  -2.671  -2.512
  271   2HD1  LEU  40          2HD1      LEU  40   3.169  -1.886  -4.082
  272   3HD1  LEU  40          3HD1      LEU  40   2.667  -3.565  -3.876
  273   1HD2  LEU  40          1HD2      LEU  40   6.027  -4.963  -3.514
  274   2HD2  LEU  40          2HD2      LEU  40   5.564  -4.006  -2.106
  275   3HD2  LEU  40          3HD2      LEU  40   4.391  -5.079  -2.869
  276    HA   PRO  41           HA       PRO  41   6.461  -2.171 -10.097
  277   1HB   PRO  41          2HB       PRO  41   5.425  -4.589 -11.382
  278   2HB   PRO  41          1HB       PRO  41   6.990  -3.799 -11.586
  279   1HG   PRO  41          2HG       PRO  41   6.737  -6.172 -10.340
  280   2HG   PRO  41          1HG       PRO  41   7.960  -4.977  -9.864
  281   1HD   PRO  41          2HD       PRO  41   5.312  -5.587  -8.594
  282   2HD   PRO  41          1HD       PRO  41   6.886  -5.289  -7.825
  283    H    GLU  42           H        GLU  42   3.682  -4.012  -9.043
  284    HA   GLU  42           HA       GLU  42   1.950  -2.258 -10.654
  285   1HB   GLU  42          2HB       GLU  42   0.470  -4.546  -9.916
  286   2HB   GLU  42          1HB       GLU  42   1.011  -4.092 -11.526
  287   1HG   GLU  42          2HG       GLU  42   3.260  -5.212 -10.622
  288   2HG   GLU  42          1HG       GLU  42   2.089  -6.105  -9.651
  289    H    ILE  43           H        ILE  43  -0.307  -2.150  -9.660
  290    HA   ILE  43           HA       ILE  43  -0.003  -1.553  -6.807
  291    HB   ILE  43           HB       ILE  43  -2.406  -0.502  -7.370
  292   1HG1  ILE  43          2HG1      ILE  43  -0.916  -0.073  -9.958
  293   1HG2  ILE  43          1HG2      ILE  43  -0.656   1.474  -8.275
  294   2HG2  ILE  43          2HG2      ILE  43  -1.213   1.204  -6.624
  295   3HG2  ILE  43          3HG2      ILE  43   0.291   0.468  -7.177
  296   1HD1  ILE  43          1HD1      ILE  43  -2.720   1.546  -9.217
  297   2HD1  ILE  43          2HD1      ILE  43  -2.895   0.823 -10.817
  298   3HD1  ILE  43          3HD1      ILE  43  -3.857   0.221  -9.468
  299    HA   PRO  44           HA       PRO  44  -2.387  -5.414  -6.509
  300   1HB   PRO  44          2HB       PRO  44  -1.636  -6.002  -3.974
  301   2HB   PRO  44          1HB       PRO  44  -0.615  -6.335  -5.378
  302   1HG   PRO  44          2HG       PRO  44  -0.486  -4.063  -3.434
  303   2HG   PRO  44          1HG       PRO  44   0.836  -5.011  -4.138
  304   1HD   PRO  44          2HD       PRO  44   0.135  -2.546  -5.037
  305   2HD   PRO  44          1HD       PRO  44   0.836  -3.794  -6.084
  306    H    ASN  45           H        ASN  45  -4.186  -3.699  -6.547
  307    HA   ASN  45           HA       ASN  45  -5.270  -2.829  -4.041
  308   1HB   ASN  45          2HB       ASN  45  -5.709  -1.746  -6.291
  309   2HB   ASN  45          1HB       ASN  45  -6.772  -3.105  -6.652
  310   1HD2  ASN  45          1HD2      ASN  45  -6.323  -0.230  -4.801
  311   2HD2  ASN  45          2HD2      ASN  45  -7.927  -0.134  -4.151
  312    H    GLY  46           H        GLY  46  -6.313  -4.024  -2.614
  313   1HA   GLY  46          1HA       GLY  46  -8.406  -5.647  -2.760
  314   2HA   GLY  46          2HA       GLY  46  -7.151  -6.713  -3.372
  315    H    GLU  47           H        GLU  47  -6.315  -8.017  -1.901
  316    HA   GLU  47           HA       GLU  47  -6.447  -7.212   0.916
  317   1HB   GLU  47          2HB       GLU  47  -6.663  -9.744  -0.505
  318   2HB   GLU  47          1HB       GLU  47  -5.523  -9.829   0.832
  319   1HG   GLU  47          2HG       GLU  47  -7.314 -10.266   2.077
  320   2HG   GLU  47          1HG       GLU  47  -7.630  -8.534   1.975
  321    H    TRP  48           H        TRP  48  -4.598  -5.722   0.015
  322    HA   TRP  48           HA       TRP  48  -2.054  -7.152   0.354
  323   1HB   TRP  48          2HB       TRP  48  -1.932  -5.940  -1.666
  324   2HB   TRP  48          1HB       TRP  48  -2.779  -4.554  -0.991
  325    HD1  TRP  48           HD       TRP  48   0.697  -6.094  -1.264
  326    HE1  TRP  48           1HE      TRP  48   2.428  -4.375  -0.434
  327    HE3  TRP  48           3HE      TRP  48  -2.501  -2.584   0.589
  328    HZ2  TRP  48           2HZ      TRP  48   2.420  -1.842   0.859
  329    HZ3  TRP  48           3HZ      TRP  48  -1.584  -0.557   1.589
  330    HH2  TRP  48           HH       TRP  48   0.829  -0.181   1.731
  331    H    LEU  49           H        LEU  49  -0.793  -6.686   2.092
  332    HA   LEU  49           HA       LEU  49  -1.919  -4.787   4.035
  333   1HB   LEU  49          2HB       LEU  49   0.117  -6.832   4.807
  334   2HB   LEU  49          1HB       LEU  49  -1.153  -6.109   5.775
  335    HG   LEU  49           HG       LEU  49  -1.617  -8.160   3.602
  336   1HD1  LEU  49          1HD1      LEU  49  -0.672  -9.522   5.128
  337   2HD1  LEU  49          2HD1      LEU  49  -0.949  -8.404   6.463
  338   3HD1  LEU  49          3HD1      LEU  49  -2.266  -9.420   5.876
  339   1HD2  LEU  49          1HD2      LEU  49  -3.798  -8.309   5.089
  340   2HD2  LEU  49          2HD2      LEU  49  -3.386  -6.630   5.434
  341   3HD2  LEU  49          3HD2      LEU  49  -3.654  -7.147   3.770
  342    H    CYS  50           H        CYS  50  -0.629  -3.226   4.927
  343    HA   CYS  50           HA       CYS  50   1.375  -2.148   3.349
  344   1HB   CYS  50          2HB       CYS  50   1.659  -0.522   5.064
  345   2HB   CYS  50          1HB       CYS  50  -0.034  -0.997   5.117
  346    HA   PRO  51           HA       PRO  51   5.233  -3.989   4.519
  347   1HB   PRO  51          2HB       PRO  51   6.866  -1.888   5.061
  348   2HB   PRO  51          1HB       PRO  51   6.361  -2.319   3.424
  349   1HG   PRO  51          2HG       PRO  51   5.251  -0.224   5.258
  350   2HG   PRO  51          1HG       PRO  51   5.633  -0.108   3.528
  351   1HD   PRO  51          2HD       PRO  51   3.118  -0.480   4.403
  352   2HD   PRO  51          1HD       PRO  51   3.706  -1.221   2.900
  353    H    ARG  52           H        ARG  52   3.254  -2.945   6.775
  354    HA   ARG  52           HA       ARG  52   5.169  -3.467   8.946
  355   1HB   ARG  52          2HB       ARG  52   4.637  -1.204   9.253
  356   2HB   ARG  52          1HB       ARG  52   2.951  -1.445   8.817
  357   1HG   ARG  52          2HG       ARG  52   3.593  -3.013  11.127
  358   2HG   ARG  52          1HG       ARG  52   4.063  -1.331  11.381
  359   1HD   ARG  52          2HD       ARG  52   1.785  -0.656  10.625
  360   2HD   ARG  52          1HD       ARG  52   1.348  -2.364  10.579
  361    HE   ARG  52           HE       ARG  52   2.349  -1.226  13.089
  362   1HH1  ARG  52          2HH1      ARG  52  -0.287  -2.593  11.222
  363   2HH1  ARG  52          1HH1      ARG  52  -1.320  -2.805  12.603
  364   1HH2  ARG  52          2HH2      ARG  52   0.983  -1.527  14.916
  365   2HH2  ARG  52          1HH2      ARG  52  -0.604  -2.209  14.692
  366    H    CYS  53           H        CYS  53   1.785  -3.764   7.871
  367    HA   CYS  53           HA       CYS  53   1.226  -5.715   9.953
  368   1HB   CYS  53          2HB       CYS  53  -0.484  -4.951   7.580
  369   2HB   CYS  53          1HB       CYS  53  -0.996  -5.885   8.979
  370    H    THR  54           H        THR  54   3.078  -5.870   7.392
  371    HA   THR  54           HA       THR  54   2.215  -8.128   5.933
  372    HB   THR  54           HB       THR  54   5.036  -8.045   5.901
  373    HG1  THR  54           1HG      THR  54   3.954  -5.421   5.669
  374   1HG2  THR  54          1HG2      THR  54   3.101  -8.176   4.078
  375   2HG2  THR  54          2HG2      THR  54   4.733  -7.642   3.670
  376   3HG2  THR  54          3HG2      THR  54   3.461  -6.453   3.952
  377    H    CYS  55           H        CYS  55   2.294 -10.220   6.426
  378    HA   CYS  55           HA       CYS  55   3.220 -10.969   9.055
  379   1HB   CYS  55          2HB       CYS  55   2.123 -12.934   7.089
  380   2HB   CYS  55          1HB       CYS  55   1.869 -12.835   8.829
  381    HG   CYS  55           HG       CYS  55   0.539 -10.139   7.858
  382    HA   PRO  56           HA       PRO  56   7.153 -12.422   7.361
  383   1HB   PRO  56          2HB       PRO  56   7.756 -13.024  10.163
  384   2HB   PRO  56          1HB       PRO  56   8.558 -11.889   9.074
  385   1HG   PRO  56          2HG       PRO  56   7.059 -11.071  11.167
  386   2HG   PRO  56          1HG       PRO  56   7.168 -10.146   9.658
  387   1HD   PRO  56          2HD       PRO  56   4.997 -11.988  10.598
  388   2HD   PRO  56          1HD       PRO  56   4.863 -10.406   9.798
  389    H    ALA  57           H        ALA  57   4.899 -13.919   9.499
  390    HA   ALA  57           HA       ALA  57   5.454 -16.507   8.304
  391   1HB   ALA  57          1HB       ALA  57   5.759 -15.893  11.187
  392   2HB   ALA  57          2HB       ALA  57   4.917 -17.388  10.777
  393   3HB   ALA  57          3HB       ALA  57   6.560 -17.114  10.197
  394    H    LEU  58           H        LEU  58   3.565 -18.052   9.007
  395    HA   LEU  58           HA       LEU  58   1.150 -16.787   8.249
  396   1HB   LEU  58          2HB       LEU  58   2.011 -19.348   8.264
  397   2HB   LEU  58          1HB       LEU  58   0.968 -19.366   9.675
  398    HG   LEU  58           HG       LEU  58  -0.858 -18.413   8.189
  399   1HD1  LEU  58          1HD1      LEU  58  -0.064 -19.404   5.725
  400   2HD1  LEU  58          2HD1      LEU  58  -0.234 -17.708   6.180
  401   3HD1  LEU  58          3HD1      LEU  58   1.335 -18.501   6.310
  402   1HD2  LEU  58          1HD2      LEU  58  -0.039 -21.065   7.119
  403   2HD2  LEU  58          2HD2      LEU  58  -0.342 -20.911   8.850
  404   3HD2  LEU  58          3HD2      LEU  58  -1.613 -20.514   7.693
  405    H    LYS  59           H        LYS  59  -0.560 -16.075   9.380
  406    HA   LYS  59           HA       LYS  59  -1.885 -15.450  11.138
  407   1HB   LYS  59          2HB       LYS  59  -1.005 -17.697  12.204
  408   2HB   LYS  59          1HB       LYS  59  -0.052 -16.605  13.198
  409   1HG   LYS  59          2HG       LYS  59  -2.560 -15.510  13.345
  410   2HG   LYS  59          1HG       LYS  59  -2.887 -17.244  13.307
  411   1HD   LYS  59          2HD       LYS  59  -2.489 -17.173  15.513
  412   2HD   LYS  59          1HD       LYS  59  -0.787 -17.097  15.052
  413   1HE   LYS  59          2HE       LYS  59  -1.636 -14.478  14.861
  414   2HE   LYS  59          1HE       LYS  59  -2.483 -15.083  16.283
  415   1HZ   LYS  59          1HZ       LYS  59  -0.548 -15.435  17.407
  416   2HZ   LYS  59          2HZ       LYS  59  -0.089 -14.092  16.473
  417   3HZ   LYS  59          3HZ       LYS  59   0.382 -15.656  16.007
  418    H    GLY  60           H        GLY  60   1.062 -14.502  10.336
  419   1HA   GLY  60          1HA       GLY  60   1.817 -12.282  10.521
  420   2HA   GLY  60          2HA       GLY  60   0.837 -12.093  11.969
  421    H    LYS  61           H        LYS  61   2.124 -11.615  13.602
  422    HA   LYS  61           HA       LYS  61   4.110 -13.451  14.501
  423   1HB   LYS  61          2HB       LYS  61   5.016 -11.523  12.691
  424   2HB   LYS  61          1HB       LYS  61   5.449 -10.880  14.267
  425   1HG   LYS  61          2HG       LYS  61   6.322 -13.377  14.594
  426   2HG   LYS  61          1HG       LYS  61   6.472 -13.256  12.840
  427   1HD   LYS  61          2HD       LYS  61   7.569 -10.918  13.514
  428   2HD   LYS  61          1HD       LYS  61   7.935 -11.827  14.982
  429   1HE   LYS  61          2HE       LYS  61   9.052 -13.540  13.676
  430   2HE   LYS  61          1HE       LYS  61   8.618 -12.712  12.181
  431   1HZ   LYS  61          1HZ       LYS  61  10.637 -11.998  14.183
  432   2HZ   LYS  61          2HZ       LYS  61   9.883 -10.748  13.320
  433   3HZ   LYS  61          3HZ       LYS  61  10.733 -11.956  12.490
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -3.473   5.563  12.432
    2   2H    GLY   1          2H        GLY   1  -2.955   4.198  13.301
    3   3H    GLY   1          3H        GLY   1  -2.232   5.707  13.581
    4   1HA   GLY   1          2HA       GLY   1  -4.616   4.586  14.694
    5   2HA   GLY   1          1HA       GLY   1  -3.631   5.924  15.271
    6    HA   PRO   2           HA       PRO   2  -7.691   7.634  13.762
    7   1HB   PRO   2          2HB       PRO   2  -8.130   9.215  15.929
    8   2HB   PRO   2          1HB       PRO   2  -8.647   7.527  15.849
    9   1HG   PRO   2          2HG       PRO   2  -6.242   8.713  17.171
   10   2HG   PRO   2          1HG       PRO   2  -7.337   7.451  17.764
   11   1HD   PRO   2          2HD       PRO   2  -4.914   6.898  16.682
   12   2HD   PRO   2          1HD       PRO   2  -6.300   5.799  16.543
   13    H    LEU   3           H        LEU   3  -8.160   9.769  13.111
   14    HA   LEU   3           HA       LEU   3  -7.735  11.842  12.318
   15   1HB   LEU   3          2HB       LEU   3  -6.593  11.812  14.914
   16   2HB   LEU   3          1HB       LEU   3  -5.490  12.686  13.867
   17    HG   LEU   3           HG       LEU   3  -7.556  14.023  13.120
   18   1HD1  LEU   3          1HD1      LEU   3  -8.765  13.526  15.744
   19   2HD1  LEU   3          2HD1      LEU   3  -9.520  13.791  14.173
   20   3HD1  LEU   3          3HD1      LEU   3  -8.909  12.194  14.599
   21   1HD2  LEU   3          1HD2      LEU   3  -6.263  14.215  15.820
   22   2HD2  LEU   3          2HD2      LEU   3  -5.927  15.151  14.364
   23   3HD2  LEU   3          3HD2      LEU   3  -7.424  15.418  15.257
   24    H    GLY   4           H        GLY   4  -5.411  13.306  11.980
   25   1HA   GLY   4          1HA       GLY   4  -3.236  13.100  10.901
   26   2HA   GLY   4          2HA       GLY   4  -3.767  11.539  10.276
   27    H    SER   5           H        SER   5  -5.876  11.693   9.044
   28    HA   SER   5           HA       SER   5  -6.325  14.234   7.728
   29   1HB   SER   5          2HB       SER   5  -6.665  12.561   5.578
   30   2HB   SER   5          1HB       SER   5  -5.248  13.573   5.844
   31    HG   SER   5           HG       SER   5  -4.404  11.687   7.057
   32    H    ASP   6           H        ASP   6  -7.202  10.842   8.043
   33    HA   ASP   6           HA       ASP   6  -9.720  11.349   9.154
   34   1HB   ASP   6          2HB       ASP   6 -10.096  11.868   6.617
   35   2HB   ASP   6          1HB       ASP   6 -10.024  10.116   6.421
   36    H    HIS   7           H        HIS   7 -10.681   8.804   7.642
   37    HA   HIS   7           HA       HIS   7  -9.211   6.884   9.268
   38   1HB   HIS   7          2HB       HIS   7 -11.722   6.709   8.964
   39   2HB   HIS   7          1HB       HIS   7 -11.419   6.324   7.272
   40    HD2  HIS   7           2HD      HIS   7 -10.109   3.846   6.833
   41    HE1  HIS   7           1HE      HIS   7 -10.980   2.414  10.724
   42    HE2  HIS   7           2HE      HIS   7 -10.391   1.750   8.347
   43    H    HIS   8           H        HIS   8  -7.455   6.081   8.581
   44    HA   HIS   8           HA       HIS   8  -5.753   5.379   7.252
   45   1HB   HIS   8          2HB       HIS   8  -7.955   5.330   5.243
   46   2HB   HIS   8          1HB       HIS   8  -6.308   5.452   4.630
   47    HD2  HIS   8           2HD      HIS   8  -4.781   3.193   4.816
   48    HE1  HIS   8           1HE      HIS   8  -7.789   0.797   6.572
   49    HE2  HIS   8           2HE      HIS   8  -5.399   0.845   5.740
   50    H    MET   9           H        MET   9  -4.681   6.421   5.062
   51    HA   MET   9           HA       MET   9  -4.494   9.242   5.809
   52   1HB   MET   9          2HB       MET   9  -2.592   7.468   4.277
   53   2HB   MET   9          1HB       MET   9  -2.315   9.171   4.609
   54   1HG   MET   9          2HG       MET   9  -1.804   8.818   6.780
   55   2HG   MET   9          1HG       MET   9  -2.897   7.440   6.928
   56   1HE   MET   9          1HE       MET   9  -0.671   6.032   8.382
   57   2HE   MET   9          2HE       MET   9   0.916   6.532   7.803
   58   3HE   MET   9          3HE       MET   9  -0.281   7.745   8.251
   59    H    GLU  10           H        GLU  10  -4.959  10.864   4.454
   60    HA   GLU  10           HA       GLU  10  -6.153  10.215   1.887
   61   1HB   GLU  10          2HB       GLU  10  -5.744  12.819   3.356
   62   2HB   GLU  10          1HB       GLU  10  -6.464  12.721   1.754
   63   1HG   GLU  10          2HG       GLU  10  -7.549  11.251   4.137
   64   2HG   GLU  10          1HG       GLU  10  -8.069  12.870   3.672
   65    H    PHE  11           H        PHE  11  -3.134  10.663   3.034
   66    HA   PHE  11           HA       PHE  11  -2.061  11.035   0.364
   67   1HB   PHE  11          2HB       PHE  11  -0.351  12.616   1.100
   68   2HB   PHE  11          1HB       PHE  11  -1.944  13.292   1.401
   69    HD1  PHE  11           1HD      PHE  11  -2.877  13.106   3.780
   70    HD2  PHE  11           2HD      PHE  11   1.213  12.450   2.806
   71    HE1  PHE  11           1HE      PHE  11  -2.262  13.480   6.130
   72    HE2  PHE  11           2HE      PHE  11   1.836  12.820   5.158
   73    HZ   PHE  11           HZ       PHE  11   0.096  13.335   6.825
   74    H    CYS  12           H        CYS  12  -0.179   9.827   0.060
   75    HA   CYS  12           HA       CYS  12   0.273   7.760   1.987
   76   1HB   CYS  12          2HB       CYS  12   0.879   6.778   0.067
   77   2HB   CYS  12          1HB       CYS  12   1.058   8.323  -0.752
   78    HG   CYS  12           HG       CYS  12   3.546   8.118  -1.019
   79    H    ARG  13           H        ARG  13   1.344   8.021   3.748
   80    HA   ARG  13           HA       ARG  13   2.414  10.265   4.708
   81   1HB   ARG  13          2HB       ARG  13   1.910   8.271   6.037
   82   2HB   ARG  13          1HB       ARG  13   3.351   7.484   5.408
   83   1HG   ARG  13          2HG       ARG  13   4.326   9.837   6.442
   84   2HG   ARG  13          1HG       ARG  13   3.056   9.382   7.582
   85   1HD   ARG  13          2HD       ARG  13   5.480   7.808   6.754
   86   2HD   ARG  13          1HD       ARG  13   5.032   8.359   8.368
   87    HE   ARG  13           HE       ARG  13   4.044   6.016   6.967
   88   1HH1  ARG  13          2HH1      ARG  13   3.535   8.262   9.621
   89   2HH1  ARG  13          1HH1      ARG  13   2.628   7.123  10.578
   90   1HH2  ARG  13          2HH2      ARG  13   2.888   4.513   8.231
   91   2HH2  ARG  13          1HH2      ARG  13   2.229   4.997   9.774
   92    H    VAL  14           H        VAL  14   4.209   8.000   2.737
   93    HA   VAL  14           HA       VAL  14   6.753   9.017   3.477
   94    HB   VAL  14           HB       VAL  14   6.029   7.277   1.126
   95   1HG1  VAL  14          1HG1      VAL  14   8.286   6.734   0.910
   96   2HG1  VAL  14          2HG1      VAL  14   8.302   8.478   1.167
   97   3HG1  VAL  14          3HG1      VAL  14   8.694   7.386   2.495
   98   1HG2  VAL  14          1HG2      VAL  14   6.400   5.405   2.503
   99   2HG2  VAL  14          2HG2      VAL  14   7.107   6.388   3.788
  100   3HG2  VAL  14          3HG2      VAL  14   5.378   6.485   3.452
  101    H    CYS  15           H        CYS  15   4.817   9.413   0.486
  102    HA   CYS  15           HA       CYS  15   6.778  11.436  -0.323
  103   1HB   CYS  15          2HB       CYS  15   6.216  11.024  -2.579
  104   2HB   CYS  15          1HB       CYS  15   6.324   9.444  -1.813
  105    H    LYS  16           H        LYS  16   3.729  11.212   0.973
  106    HA   LYS  16           HA       LYS  16   2.180  12.753   1.529
  107   1HB   LYS  16          2HB       LYS  16   4.136  14.627   0.213
  108   2HB   LYS  16          1HB       LYS  16   2.598  15.185   0.860
  109   1HG   LYS  16          2HG       LYS  16   3.366  15.175   2.946
  110   2HG   LYS  16          1HG       LYS  16   4.038  13.553   2.771
  111   1HD   LYS  16          2HD       LYS  16   5.430  15.859   1.483
  112   2HD   LYS  16          1HD       LYS  16   5.605  15.606   3.220
  113   1HE   LYS  16          2HE       LYS  16   6.935  13.822   2.942
  114   2HE   LYS  16          1HE       LYS  16   5.943  13.173   1.637
  115   1HZ   LYS  16          1HZ       LYS  16   8.289  14.887   1.513
  116   2HZ   LYS  16          2HZ       LYS  16   7.052  15.242   0.404
  117   3HZ   LYS  16          3HZ       LYS  16   7.753  13.698   0.428
  118    H    ASP  17           H        ASP  17   2.702  11.606  -1.437
  119    HA   ASP  17           HA       ASP  17   0.711  13.184  -2.835
  120   1HB   ASP  17          2HB       ASP  17   2.502  12.312  -4.194
  121   2HB   ASP  17          1HB       ASP  17   2.202  10.674  -3.617
  122    H    GLY  18           H        GLY  18  -1.381  12.674  -3.083
  123   1HA   GLY  18          1HA       GLY  18  -2.290  10.167  -1.806
  124   2HA   GLY  18          2HA       GLY  18  -3.165  11.686  -1.662
  125    H    GLY  19           H        GLY  19  -1.630  10.358  -4.556
  126   1HA   GLY  19          1HA       GLY  19  -4.123  10.702  -5.995
  127   2HA   GLY  19          2HA       GLY  19  -2.574  10.244  -6.682
  128    H    GLU  20           H        GLU  20  -2.082   8.139  -6.963
  129    HA   GLU  20           HA       GLU  20  -4.241   6.221  -6.767
  130   1HB   GLU  20          2HB       GLU  20  -1.918   6.555  -8.355
  131   2HB   GLU  20          1HB       GLU  20  -1.717   5.046  -7.476
  132   1HG   GLU  20          2HG       GLU  20  -2.774   4.778  -9.697
  133   2HG   GLU  20          1HG       GLU  20  -3.763   4.179  -8.364
  134    H    LEU  21           H        LEU  21  -4.251   6.478  -4.365
  135    HA   LEU  21           HA       LEU  21  -1.991   5.584  -2.899
  136   1HB   LEU  21          2HB       LEU  21  -4.697   6.576  -2.258
  137   2HB   LEU  21          1HB       LEU  21  -3.918   5.584  -1.039
  138    HG   LEU  21           HG       LEU  21  -2.654   8.039  -2.254
  139   1HD1  LEU  21          1HD1      LEU  21  -3.115   9.062  -0.035
  140   2HD1  LEU  21          2HD1      LEU  21  -4.552   8.784  -1.021
  141   3HD1  LEU  21          3HD1      LEU  21  -4.178   7.696   0.317
  142   1HD2  LEU  21          1HD2      LEU  21  -1.730   5.903  -0.557
  143   2HD2  LEU  21          2HD2      LEU  21  -0.826   7.210  -1.324
  144   3HD2  LEU  21          3HD2      LEU  21  -1.589   7.469   0.245
  145    H    LEU  22           H        LEU  22  -1.652   3.818  -1.706
  146    HA   LEU  22           HA       LEU  22  -3.413   1.508  -2.177
  147   1HB   LEU  22          2HB       LEU  22  -0.896   1.654  -3.028
  148   2HB   LEU  22          1HB       LEU  22  -0.555   1.192  -1.374
  149    HG   LEU  22           HG       LEU  22  -1.949  -0.833  -1.676
  150   1HD1  LEU  22          1HD1      LEU  22  -2.619  -1.496  -3.930
  151   2HD1  LEU  22          2HD1      LEU  22  -3.427  -0.008  -3.434
  152   3HD1  LEU  22          3HD1      LEU  22  -2.067   0.056  -4.557
  153   1HD2  LEU  22          1HD2      LEU  22  -0.214  -1.373  -3.859
  154   2HD2  LEU  22          2HD2      LEU  22   0.609  -0.265  -2.759
  155   3HD2  LEU  22          3HD2      LEU  22  -0.016  -1.802  -2.159
  156    H    CYS  23           H        CYS  23  -4.657   1.462  -0.379
  157    HA   CYS  23           HA       CYS  23  -3.450   2.082   2.211
  158   1HB   CYS  23          2HB       CYS  23  -6.348   1.438   1.752
  159   2HB   CYS  23          1HB       CYS  23  -5.631   2.450   3.004
  160    HG   CYS  23           HG       CYS  23  -7.047   3.422   0.307
  161    H    CYS  24           H        CYS  24  -3.284   0.654   3.882
  162    HA   CYS  24           HA       CYS  24  -3.160  -2.102   3.286
  163   1HB   CYS  24          2HB       CYS  24  -1.751  -1.157   5.019
  164   2HB   CYS  24          1HB       CYS  24  -3.162  -0.660   5.947
  165    H    ASP  25           H        ASP  25  -4.409  -3.809   4.116
  166    HA   ASP  25           HA       ASP  25  -7.245  -3.187   4.286
  167   1HB   ASP  25          2HB       ASP  25  -6.433  -4.972   2.770
  168   2HB   ASP  25          1HB       ASP  25  -5.839  -5.866   4.167
  169    H    THR  26           H        THR  26  -4.741  -3.523   6.439
  170    HA   THR  26           HA       THR  26  -6.579  -4.489   8.535
  171    HB   THR  26           HB       THR  26  -3.932  -4.838   9.449
  172    HG1  THR  26           1HG      THR  26  -3.581  -4.815   7.018
  173   1HG2  THR  26          1HG2      THR  26  -5.831  -6.180  10.127
  174   2HG2  THR  26          2HG2      THR  26  -4.585  -7.224   9.443
  175   3HG2  THR  26          3HG2      THR  26  -6.008  -6.808   8.488
  176    H    CYS  27           H        CYS  27  -3.618  -2.577   8.049
  177    HA   CYS  27           HA       CYS  27  -4.256  -1.034  10.444
  178   1HB   CYS  27          2HB       CYS  27  -1.792  -0.450   8.903
  179   2HB   CYS  27          1HB       CYS  27  -2.020  -0.611  10.642
  180    HA   PRO  28           HA       PRO  28  -5.702   2.362   8.042
  181   1HB   PRO  28          2HB       PRO  28  -5.368   4.404   9.773
  182   2HB   PRO  28          1HB       PRO  28  -6.579   3.143  10.022
  183   1HG   PRO  28          2HG       PRO  28  -3.901   3.479  11.294
  184   2HG   PRO  28          1HG       PRO  28  -5.424   2.925  12.011
  185   1HD   PRO  28          2HD       PRO  28  -3.378   1.263  11.210
  186   2HD   PRO  28          1HD       PRO  28  -5.074   0.767  11.358
  187    H    SER  29           H        SER  29  -3.166   1.648   7.214
  188    HA   SER  29           HA       SER  29  -1.759   4.219   6.973
  189   1HB   SER  29          2HB       SER  29  -0.064   2.199   6.038
  190   2HB   SER  29          1HB       SER  29   0.045   3.032   7.589
  191    HG   SER  29           HG       SER  29  -0.743   0.466   7.029
  192    H    SER  30           H        SER  30  -1.511   5.101   5.009
  193    HA   SER  30           HA       SER  30  -2.275   3.491   2.668
  194   1HB   SER  30          2HB       SER  30  -2.606   6.487   2.877
  195   2HB   SER  30          1HB       SER  30  -3.265   5.406   1.648
  196    HG   SER  30           HG       SER  30  -4.903   5.041   2.899
  197    H    TYR  31           H        TYR  31  -0.616   3.104   1.414
  198    HA   TYR  31           HA       TYR  31   1.624   5.027   1.386
  199   1HB   TYR  31          2HB       TYR  31   1.598   2.018   1.530
  200   2HB   TYR  31          1HB       TYR  31   3.016   2.895   0.969
  201    HD1  TYR  31           1HD      TYR  31   3.409   5.086   2.656
  202    HD2  TYR  31           2HD      TYR  31   1.837   1.271   3.690
  203    HE1  TYR  31           1HE      TYR  31   4.134   5.424   4.977
  204    HE2  TYR  31           2HE      TYR  31   2.561   1.599   6.017
  205    HH   TYR  31           HH       TYR  31   4.761   3.584   6.993
  206    H    HIS  32           H        HIS  32   3.073   3.429  -0.558
  207    HA   HIS  32           HA       HIS  32   1.334   3.415  -2.903
  208   1HB   HIS  32          2HB       HIS  32   3.760   5.092  -2.518
  209   2HB   HIS  32          1HB       HIS  32   3.575   4.305  -4.082
  210    HD2  HIS  32           2HD      HIS  32   0.631   4.788  -4.906
  211    HE1  HIS  32           1HE      HIS  32   1.145   8.797  -3.667
  212    HE2  HIS  32           2HE      HIS  32  -0.119   7.254  -5.230
  213    H    ILE  33           H        ILE  33   3.051   2.585  -4.805
  214    HA   ILE  33           HA       ILE  33   3.814  -0.035  -3.807
  215    HB   ILE  33           HB       ILE  33   4.274  -0.536  -6.223
  216   1HG1  ILE  33          2HG1      ILE  33   2.840   2.044  -6.830
  217   1HG2  ILE  33          1HG2      ILE  33   2.244  -1.370  -5.755
  218   2HG2  ILE  33          2HG2      ILE  33   1.686   0.126  -5.007
  219   3HG2  ILE  33          3HG2      ILE  33   1.674  -0.040  -6.762
  220   1HD1  ILE  33          1HD1      ILE  33   3.237  -0.031  -8.450
  221   2HD1  ILE  33          2HD1      ILE  33   3.249   1.641  -9.012
  222   3HD1  ILE  33          3HD1      ILE  33   4.770   0.807  -8.688
  223    H    HIS  34           H        HIS  34   5.306   2.925  -4.325
  224    HA   HIS  34           HA       HIS  34   7.954   1.647  -4.365
  225   1HB   HIS  34          2HB       HIS  34   8.648   3.814  -5.647
  226   2HB   HIS  34          1HB       HIS  34   7.880   2.499  -6.527
  227    HD2  HIS  34           2HD      HIS  34   6.051   5.366  -4.528
  228    HE1  HIS  34           1HE      HIS  34   4.851   5.423  -8.582
  229    HE2  HIS  34           2HE      HIS  34   4.698   6.617  -6.349
  230    H    CYS  35           H        CYS  35   5.999   3.172  -2.398
  231    HA   CYS  35           HA       CYS  35   8.052   4.968  -1.315
  232   1HB   CYS  35          2HB       CYS  35   5.085   4.981  -0.720
  233   2HB   CYS  35          1HB       CYS  35   6.272   6.145  -0.147
  234    H    LEU  36           H        LEU  36   7.856   2.033  -1.016
  235    HA   LEU  36           HA       LEU  36   7.821   1.986   1.929
  236   1HB   LEU  36          2HB       LEU  36   7.480  -0.638   0.721
  237   2HB   LEU  36          1HB       LEU  36   6.591   0.114   2.028
  238    HG   LEU  36           HG       LEU  36   5.851   1.270  -0.522
  239   1HD1  LEU  36          1HD1      LEU  36   5.820  -0.538  -1.816
  240   2HD1  LEU  36          2HD1      LEU  36   6.259  -1.591  -0.471
  241   3HD1  LEU  36          3HD1      LEU  36   4.566  -1.181  -0.753
  242   1HD2  LEU  36          1HD2      LEU  36   4.321   1.638   1.126
  243   2HD2  LEU  36          2HD2      LEU  36   3.618   0.199   0.385
  244   3HD2  LEU  36          3HD2      LEU  36   4.568   0.055   1.863
  245    H    ASN  37           H        ASN  37   8.968  -0.505   2.292
  246    HA   ASN  37           HA       ASN  37  11.689  -0.001   1.474
  247   1HB   ASN  37          2HB       ASN  37  11.138  -0.882   3.745
  248   2HB   ASN  37          1HB       ASN  37  10.617  -2.386   2.991
  249   1HD2  ASN  37          1HD2      ASN  37  13.380  -0.199   3.233
  250   2HD2  ASN  37          2HD2      ASN  37  14.591  -1.437   3.138
  251    HA   PRO  38           HA       PRO  38  11.029  -3.809  -1.250
  252   1HB   PRO  38          2HB       PRO  38   8.825  -5.313  -1.121
  253   2HB   PRO  38          1HB       PRO  38  10.120  -5.480   0.071
  254   1HG   PRO  38          2HG       PRO  38   7.466  -4.171   0.328
  255   2HG   PRO  38          1HG       PRO  38   8.416  -5.035   1.547
  256   1HD   PRO  38          2HD       PRO  38   8.243  -2.244   1.196
  257   2HD   PRO  38          1HD       PRO  38   9.390  -3.111   2.233
  258    HA   PRO  39           HA       PRO  39   8.554  -1.131  -3.922
  259   1HB   PRO  39          2HB       PRO  39  10.438  -1.869  -6.017
  260   2HB   PRO  39          1HB       PRO  39  10.170  -0.294  -5.268
  261   1HG   PRO  39          2HG       PRO  39  12.433  -1.734  -4.882
  262   2HG   PRO  39          1HG       PRO  39  11.768  -0.643  -3.653
  263   1HD   PRO  39          2HD       PRO  39  11.548  -3.626  -3.857
  264   2HD   PRO  39          1HD       PRO  39  11.851  -2.614  -2.427
  265    H    LEU  40           H        LEU  40   6.715  -1.915  -4.688
  266    HA   LEU  40           HA       LEU  40   6.711  -4.448  -6.172
  267   1HB   LEU  40          2HB       LEU  40   4.123  -3.142  -5.746
  268   2HB   LEU  40          1HB       LEU  40   4.605  -4.801  -5.449
  269    HG   LEU  40           HG       LEU  40   5.610  -2.764  -3.539
  270   1HD1  LEU  40          1HD1      LEU  40   3.512  -2.776  -2.281
  271   2HD1  LEU  40          2HD1      LEU  40   3.310  -2.031  -3.867
  272   3HD1  LEU  40          3HD1      LEU  40   2.736  -3.673  -3.586
  273   1HD2  LEU  40          1HD2      LEU  40   4.831  -5.633  -3.553
  274   2HD2  LEU  40          2HD2      LEU  40   6.256  -4.851  -2.872
  275   3HD2  LEU  40          3HD2      LEU  40   4.707  -4.742  -2.036
  276    HA   PRO  41           HA       PRO  41   6.751  -1.948  -9.828
  277   1HB   PRO  41          2HB       PRO  41   6.280  -3.961 -11.628
  278   2HB   PRO  41          1HB       PRO  41   7.856  -3.644 -10.895
  279   1HG   PRO  41          2HG       PRO  41   5.789  -5.671 -10.148
  280   2HG   PRO  41          1HG       PRO  41   7.551  -5.849 -10.233
  281   1HD   PRO  41          2HD       PRO  41   6.259  -5.520  -7.895
  282   2HD   PRO  41          1HD       PRO  41   7.876  -4.841  -8.178
  283    H    GLU  42           H        GLU  42   4.083  -4.009  -8.953
  284    HA   GLU  42           HA       GLU  42   2.296  -2.215 -10.437
  285   1HB   GLU  42          2HB       GLU  42   2.712  -4.877 -11.111
  286   2HB   GLU  42          1HB       GLU  42   1.232  -4.912 -10.162
  287   1HG   GLU  42          2HG       GLU  42   0.111  -3.502 -11.650
  288   2HG   GLU  42          1HG       GLU  42   1.609  -2.980 -12.419
  289    H    ILE  43           H        ILE  43   0.052  -2.285  -9.565
  290    HA   ILE  43           HA       ILE  43   0.130  -2.236  -6.673
  291    HB   ILE  43           HB       ILE  43  -2.336  -1.575  -6.972
  292   1HG1  ILE  43          2HG1      ILE  43  -1.935  -0.486  -9.602
  293   1HG2  ILE  43          1HG2      ILE  43  -1.438   0.396  -6.516
  294   2HG2  ILE  43          2HG2      ILE  43   0.094  -0.104  -7.235
  295   3HG2  ILE  43          3HG2      ILE  43  -1.150   0.640  -8.240
  296   1HD1  ILE  43          1HD1      ILE  43  -4.122  -0.769  -8.575
  297   2HD1  ILE  43          2HD1      ILE  43  -4.020  -1.614 -10.118
  298   3HD1  ILE  43          3HD1      ILE  43  -3.915  -2.521  -8.610
  299    HA   PRO  44           HA       PRO  44  -1.225  -6.458  -6.315
  300   1HB   PRO  44          2HB       PRO  44  -2.088  -5.537  -3.626
  301   2HB   PRO  44          1HB       PRO  44  -1.026  -6.879  -4.067
  302   1HG   PRO  44          2HG       PRO  44  -0.013  -4.644  -3.026
  303   2HG   PRO  44          1HG       PRO  44   0.825  -5.501  -4.334
  304   1HD   PRO  44          2HD       PRO  44  -0.847  -3.022  -4.460
  305   2HD   PRO  44          1HD       PRO  44   0.670  -3.403  -5.301
  306    H    ASN  45           H        ASN  45  -3.089  -7.389  -6.840
  307    HA   ASN  45           HA       ASN  45  -5.331  -5.805  -7.390
  308   1HB   ASN  45          2HB       ASN  45  -6.433  -7.866  -8.100
  309   2HB   ASN  45          1HB       ASN  45  -4.779  -7.812  -8.691
  310   1HD2  ASN  45          1HD2      ASN  45  -6.992  -9.845  -7.593
  311   2HD2  ASN  45          2HD2      ASN  45  -5.993 -11.012  -6.780
  312    H    GLY  46           H        GLY  46  -6.846  -5.076  -6.150
  313   1HA   GLY  46          1HA       GLY  46  -8.384  -4.860  -4.477
  314   2HA   GLY  46          2HA       GLY  46  -8.383  -6.614  -4.388
  315    H    GLU  47           H        GLU  47  -7.891  -7.413  -2.513
  316    HA   GLU  47           HA       GLU  47  -7.137  -5.816  -0.333
  317   1HB   GLU  47          2HB       GLU  47  -8.505  -7.854  -0.141
  318   2HB   GLU  47          1HB       GLU  47  -7.110  -8.828  -0.579
  319   1HG   GLU  47          2HG       GLU  47  -6.351  -7.200   1.597
  320   2HG   GLU  47          1HG       GLU  47  -7.918  -7.907   1.983
  321    H    TRP  48           H        TRP  48  -5.244  -5.233   0.469
  322    HA   TRP  48           HA       TRP  48  -2.938  -6.952   0.251
  323   1HB   TRP  48          2HB       TRP  48  -2.460  -5.829  -1.740
  324   2HB   TRP  48          1HB       TRP  48  -3.163  -4.319  -1.178
  325    HD1  TRP  48           HD       TRP  48   0.089  -6.309  -1.140
  326    HE1  TRP  48           1HE      TRP  48   1.986  -4.770  -0.329
  327    HE3  TRP  48           3HE      TRP  48  -2.709  -2.311   0.334
  328    HZ2  TRP  48           2HZ      TRP  48   2.252  -2.190   0.807
  329    HZ3  TRP  48           3HZ      TRP  48  -1.575  -0.360   1.270
  330    HH2  TRP  48           HH       TRP  48   0.859  -0.287   1.505
  331    H    LEU  49           H        LEU  49  -1.721  -6.765   2.085
  332    HA   LEU  49           HA       LEU  49  -2.536  -4.674   3.974
  333   1HB   LEU  49          2HB       LEU  49  -0.690  -6.726   4.974
  334   2HB   LEU  49          1HB       LEU  49  -2.159  -6.090   5.680
  335    HG   LEU  49           HG       LEU  49  -2.314  -8.022   3.395
  336   1HD1  LEU  49          1HD1      LEU  49  -2.094  -8.746   6.312
  337   2HD1  LEU  49          2HD1      LEU  49  -2.405  -9.856   4.978
  338   3HD1  LEU  49          3HD1      LEU  49  -0.851  -9.030   5.093
  339   1HD2  LEU  49          1HD2      LEU  49  -4.131  -6.727   5.253
  340   2HD2  LEU  49          2HD2      LEU  49  -4.468  -7.557   3.732
  341   3HD2  LEU  49          3HD2      LEU  49  -4.325  -8.480   5.229
  342    H    CYS  50           H        CYS  50  -1.006  -3.397   5.013
  343    HA   CYS  50           HA       CYS  50   1.006  -2.538   3.239
  344   1HB   CYS  50          2HB       CYS  50   1.313  -0.715   4.738
  345   2HB   CYS  50          1HB       CYS  50  -0.394  -1.127   4.781
  346    HA   PRO  51           HA       PRO  51   4.632  -4.582   4.565
  347   1HB   PRO  51          2HB       PRO  51   6.549  -2.669   4.673
  348   2HB   PRO  51          1HB       PRO  51   5.843  -3.226   3.152
  349   1HG   PRO  51          2HG       PRO  51   5.194  -0.784   4.758
  350   2HG   PRO  51          1HG       PRO  51   5.405  -0.945   3.005
  351   1HD   PRO  51          2HD       PRO  51   2.967  -0.854   4.172
  352   2HD   PRO  51          1HD       PRO  51   3.284  -1.800   2.703
  353    H    ARG  52           H        ARG  52   2.969  -2.948   6.731
  354    HA   ARG  52           HA       ARG  52   5.053  -3.021   8.799
  355   1HB   ARG  52          2HB       ARG  52   2.455  -1.571   9.136
  356   2HB   ARG  52          1HB       ARG  52   3.992  -1.289   9.938
  357   1HG   ARG  52          2HG       ARG  52   4.907  -0.282   7.972
  358   2HG   ARG  52          1HG       ARG  52   3.485  -0.731   7.024
  359   1HD   ARG  52          2HD       ARG  52   3.774   1.359   9.145
  360   2HD   ARG  52          1HD       ARG  52   3.083   1.499   7.529
  361    HE   ARG  52           HE       ARG  52   1.163   0.209   8.371
  362   1HH1  ARG  52          2HH1      ARG  52   3.242   1.846  10.680
  363   2HH1  ARG  52          1HH1      ARG  52   2.052   1.835  11.942
  364   1HH2  ARG  52          2HH2      ARG  52  -0.405   0.216  10.045
  365   2HH2  ARG  52          1HH2      ARG  52  -0.003   0.886  11.599
  366    H    CYS  53           H        CYS  53   1.841  -4.219   7.963
  367    HA   CYS  53           HA       CYS  53   1.170  -5.116  10.557
  368   1HB   CYS  53          2HB       CYS  53  -0.126  -6.834   8.826
  369   2HB   CYS  53          1HB       CYS  53  -0.743  -5.301   9.445
  370    H    THR  54           H        THR  54   3.244  -6.282   8.130
  371    HA   THR  54           HA       THR  54   3.322  -9.024   8.667
  372    HB   THR  54           HB       THR  54   5.789  -8.638   7.756
  373    HG1  THR  54           1HG      THR  54   6.047  -6.680   6.776
  374   1HG2  THR  54          1HG2      THR  54   4.954  -8.785   5.528
  375   2HG2  THR  54          2HG2      THR  54   3.427  -8.031   5.987
  376   3HG2  THR  54          3HG2      THR  54   3.819  -9.651   6.562
  377    H    CYS  55           H        CYS  55   6.064  -6.921   9.317
  378    HA   CYS  55           HA       CYS  55   6.685  -8.570  11.641
  379   1HB   CYS  55          2HB       CYS  55   8.903  -6.968  10.956
  380   2HB   CYS  55          1HB       CYS  55   8.682  -8.693  10.678
  381    HG   CYS  55           HG       CYS  55   8.640  -8.559   8.111
  382    HA   PRO  56           HA       PRO  56   7.704  -4.041  13.237
  383   1HB   PRO  56          2HB       PRO  56   5.686  -2.540  11.644
  384   2HB   PRO  56          1HB       PRO  56   7.300  -2.049  12.171
  385   1HG   PRO  56          2HG       PRO  56   6.873  -2.732   9.646
  386   2HG   PRO  56          1HG       PRO  56   8.356  -3.239  10.477
  387   1HD   PRO  56          2HD       PRO  56   5.899  -4.824   9.844
  388   2HD   PRO  56          1HD       PRO  56   7.605  -5.315   9.782
  389    H    ALA  57           H        ALA  57   4.427  -4.918  12.251
  390    HA   ALA  57           HA       ALA  57   2.985  -3.609  14.240
  391   1HB   ALA  57          1HB       ALA  57   1.170  -4.739  13.464
  392   2HB   ALA  57          2HB       ALA  57   2.278  -5.028  12.121
  393   3HB   ALA  57          3HB       ALA  57   2.038  -6.271  13.348
  394    H    LEU  58           H        LEU  58   5.045  -6.336  14.530
  395    HA   LEU  58           HA       LEU  58   3.836  -7.546  16.811
  396   1HB   LEU  58          2HB       LEU  58   6.524  -7.704  15.506
  397   2HB   LEU  58          1HB       LEU  58   6.286  -8.418  17.088
  398    HG   LEU  58           HG       LEU  58   4.456  -9.135  14.825
  399   1HD1  LEU  58          1HD1      LEU  58   6.168 -11.182  14.765
  400   2HD1  LEU  58          2HD1      LEU  58   6.324  -9.779  13.708
  401   3HD1  LEU  58          3HD1      LEU  58   7.296  -9.891  15.175
  402   1HD2  LEU  58          1HD2      LEU  58   3.670  -9.970  16.854
  403   2HD2  LEU  58          2HD2      LEU  58   4.560 -11.329  16.168
  404   3HD2  LEU  58          3HD2      LEU  58   5.291 -10.344  17.437
  405    H    LYS  59           H        LYS  59   5.522  -4.646  16.386
  406    HA   LYS  59           HA       LYS  59   6.562  -4.570  19.109
  407   1HB   LYS  59          2HB       LYS  59   7.445  -3.461  16.748
  408   2HB   LYS  59          1HB       LYS  59   6.683  -2.092  17.546
  409   1HG   LYS  59          2HG       LYS  59   8.201  -3.327  19.527
  410   2HG   LYS  59          1HG       LYS  59   9.212  -3.359  18.081
  411   1HD   LYS  59          2HD       LYS  59   9.777  -1.277  18.743
  412   2HD   LYS  59          1HD       LYS  59   8.259  -0.831  17.964
  413   1HE   LYS  59          2HE       LYS  59   8.544   0.125  20.243
  414   2HE   LYS  59          1HE       LYS  59   7.097  -0.862  20.055
  415   1HZ   LYS  59          1HZ       LYS  59   9.283  -1.198  21.841
  416   2HZ   LYS  59          2HZ       LYS  59   9.071  -2.592  20.904
  417   3HZ   LYS  59          3HZ       LYS  59   7.779  -1.984  21.826
  418    H    GLY  60           H        GLY  60   3.637  -4.061  17.691
  419   1HA   GLY  60          1HA       GLY  60   1.699  -3.103  18.502
  420   2HA   GLY  60          2HA       GLY  60   2.589  -2.648  19.950
  421    H    LYS  61           H        LYS  61   3.541  -1.787  16.707
  422    HA   LYS  61           HA       LYS  61   2.638   0.963  17.088
  423   1HB   LYS  61          2HB       LYS  61   4.924   0.931  17.950
  424   2HB   LYS  61          1HB       LYS  61   5.490   0.129  16.492
  425   1HG   LYS  61          2HG       LYS  61   4.413   2.314  15.388
  426   2HG   LYS  61          1HG       LYS  61   4.843   2.966  16.969
  427   1HD   LYS  61          2HD       LYS  61   6.955   3.152  16.315
  428   2HD   LYS  61          1HD       LYS  61   7.028   1.405  16.073
  429   1HE   LYS  61          2HE       LYS  61   5.647   2.390  13.857
  430   2HE   LYS  61          1HE       LYS  61   6.956   3.539  14.126
  431   1HZ   LYS  61          1HZ       LYS  61   8.538   1.728  14.069
  432   2HZ   LYS  61          2HZ       LYS  61   7.612   1.728  12.647
  433   3HZ   LYS  61          3HZ       LYS  61   7.288   0.599  13.870
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -11.476  -0.586   4.096
    2   2H    GLY   1          2H        GLY   1 -10.762   0.945   4.206
    3   3H    GLY   1          3H        GLY   1 -12.428   0.814   3.961
    4   1HA   GLY   1          2HA       GLY   1 -12.603  -0.314   6.151
    5   2HA   GLY   1          1HA       GLY   1 -10.905   0.071   6.397
    6    HA   PRO   2           HA       PRO   2 -13.686   4.061   6.500
    7   1HB   PRO   2          2HB       PRO   2 -15.900   3.037   8.134
    8   2HB   PRO   2          1HB       PRO   2 -15.951   3.980   6.642
    9   1HG   PRO   2          2HG       PRO   2 -16.666   1.389   6.703
   10   2HG   PRO   2          1HG       PRO   2 -15.858   2.107   5.295
   11   1HD   PRO   2          2HD       PRO   2 -14.699   0.421   7.489
   12   2HD   PRO   2          1HD       PRO   2 -14.404   0.347   5.738
   13    H    LEU   3           H        LEU   3 -12.522   5.177   7.888
   14    HA   LEU   3           HA       LEU   3 -12.309   4.313  10.684
   15   1HB   LEU   3          2HB       LEU   3 -10.819   6.579   9.363
   16   2HB   LEU   3          1HB       LEU   3 -10.421   5.769  10.863
   17    HG   LEU   3           HG       LEU   3 -10.155   4.648   8.079
   18   1HD1  LEU   3          1HD1      LEU   3  -7.834   4.561   9.776
   19   2HD1  LEU   3          2HD1      LEU   3  -8.038   5.292   8.184
   20   3HD1  LEU   3          3HD1      LEU   3  -8.449   6.209   9.634
   21   1HD2  LEU   3          1HD2      LEU   3  -9.605   2.575   8.927
   22   2HD2  LEU   3          2HD2      LEU   3  -9.264   3.207  10.539
   23   3HD2  LEU   3          3HD2      LEU   3 -10.932   3.055   9.986
   24    H    GLY   4           H        GLY   4 -11.775   6.861  11.821
   25   1HA   GLY   4          1HA       GLY   4 -14.390   7.757  12.382
   26   2HA   GLY   4          2HA       GLY   4 -12.906   8.595  12.816
   27    H    SER   5           H        SER   5 -11.909   9.016  10.206
   28    HA   SER   5           HA       SER   5 -13.623  11.213   9.381
   29   1HB   SER   5          2HB       SER   5 -11.094  10.485   7.947
   30   2HB   SER   5          1HB       SER   5 -11.771  12.080   8.282
   31    HG   SER   5           HG       SER   5 -10.531  10.309  10.134
   32    H    ASP   6           H        ASP   6 -11.800   8.914   7.340
   33    HA   ASP   6           HA       ASP   6 -14.252   7.933   6.179
   34   1HB   ASP   6          2HB       ASP   6 -13.459  10.112   4.923
   35   2HB   ASP   6          1HB       ASP   6 -12.309   9.003   4.177
   36    H    HIS   7           H        HIS   7 -11.210   7.978   4.451
   37    HA   HIS   7           HA       HIS   7 -10.729   5.209   5.310
   38   1HB   HIS   7          2HB       HIS   7 -11.852   5.391   3.031
   39   2HB   HIS   7          1HB       HIS   7 -10.362   6.132   2.460
   40    HD2  HIS   7           2HD      HIS   7  -9.669   3.302   4.889
   41    HE1  HIS   7           1HE      HIS   7  -9.331   1.716   0.980
   42    HE2  HIS   7           2HE      HIS   7  -8.694   1.394   3.414
   43    H    HIS   8           H        HIS   8  -9.007   5.544   6.531
   44    HA   HIS   8           HA       HIS   8  -6.858   5.923   7.142
   45   1HB   HIS   8          2HB       HIS   8  -6.523   5.410   4.180
   46   2HB   HIS   8          1HB       HIS   8  -5.185   5.462   5.323
   47    HD2  HIS   8           2HD      HIS   8  -4.958   2.721   4.347
   48    HE1  HIS   8           1HE      HIS   8  -7.950   1.412   7.029
   49    HE2  HIS   8           2HE      HIS   8  -5.910   0.722   5.697
   50    H    MET   9           H        MET   9  -5.099   7.076   4.714
   51    HA   MET   9           HA       MET   9  -5.420   9.837   5.633
   52   1HB   MET   9          2HB       MET   9  -3.147   8.245   4.548
   53   2HB   MET   9          1HB       MET   9  -3.164   9.974   4.230
   54   1HG   MET   9          2HG       MET   9  -2.563  10.474   6.309
   55   2HG   MET   9          1HG       MET   9  -3.718   9.340   7.009
   56   1HE   MET   9          1HE       MET   9  -0.281   8.592   8.659
   57   2HE   MET   9          2HE       MET   9  -1.596   9.765   8.583
   58   3HE   MET   9          3HE       MET   9  -1.933   8.091   9.022
   59    H    GLU  10           H        GLU  10  -5.421  11.575   4.152
   60    HA   GLU  10           HA       GLU  10  -6.776  10.935   1.657
   61   1HB   GLU  10          2HB       GLU  10  -6.292  13.442   3.226
   62   2HB   GLU  10          1HB       GLU  10  -6.757  13.552   1.535
   63   1HG   GLU  10          2HG       GLU  10  -8.781  12.271   2.010
   64   2HG   GLU  10          1HG       GLU  10  -8.313  12.170   3.708
   65    H    PHE  11           H        PHE  11  -3.710  10.936   2.542
   66    HA   PHE  11           HA       PHE  11  -2.759  11.370  -0.142
   67   1HB   PHE  11          2HB       PHE  11  -0.758  12.710   0.853
   68   2HB   PHE  11          1HB       PHE  11  -2.244  13.570   0.495
   69    HD1  PHE  11           1HD      PHE  11  -0.250  12.049   3.203
   70    HD2  PHE  11           2HD      PHE  11  -3.442  14.680   2.203
   71    HE1  PHE  11           1HE      PHE  11  -0.317  12.844   5.530
   72    HE2  PHE  11           2HE      PHE  11  -3.517  15.475   4.529
   73    HZ   PHE  11           HZ       PHE  11  -1.953  14.559   6.193
   74    H    CYS  12           H        CYS  12  -0.192  10.990   0.057
   75    HA   CYS  12           HA       CYS  12   0.117   8.385   1.237
   76   1HB   CYS  12          2HB       CYS  12   1.254   9.637  -0.885
   77   2HB   CYS  12          1HB       CYS  12   2.500   9.849   0.333
   78    HG   CYS  12           HG       CYS  12   2.501   7.533  -1.598
   79    H    ARG  13           H        ARG  13   1.033   7.922   3.124
   80    HA   ARG  13           HA       ARG  13   1.612   9.938   5.034
   81   1HB   ARG  13          2HB       ARG  13   0.838   7.622   5.552
   82   2HB   ARG  13          1HB       ARG  13   2.415   7.024   5.058
   83   1HG   ARG  13          2HG       ARG  13   2.994   8.987   6.922
   84   2HG   ARG  13          1HG       ARG  13   1.575   8.161   7.571
   85   1HD   ARG  13          2HD       ARG  13   3.960   6.670   6.527
   86   2HD   ARG  13          1HD       ARG  13   3.856   7.218   8.200
   87    HE   ARG  13           HE       ARG  13   1.571   5.692   7.313
   88   1HH1  ARG  13          2HH1      ARG  13   4.829   5.471   8.582
   89   2HH1  ARG  13          1HH1      ARG  13   4.527   3.995   9.465
   90   1HH2  ARG  13          2HH2      ARG  13   1.161   3.771   8.508
   91   2HH2  ARG  13          1HH2      ARG  13   2.444   3.039   9.426
   92    H    VAL  14           H        VAL  14   3.439   8.436   2.549
   93    HA   VAL  14           HA       VAL  14   5.966   9.300   3.734
   94    HB   VAL  14           HB       VAL  14   5.422   7.427   1.437
   95   1HG1  VAL  14          1HG1      VAL  14   7.539   7.606   0.778
   96   2HG1  VAL  14          2HG1      VAL  14   7.738   8.957   1.895
   97   3HG1  VAL  14          3HG1      VAL  14   8.112   7.315   2.421
   98   1HG2  VAL  14          1HG2      VAL  14   5.026   6.784   3.912
   99   2HG2  VAL  14          2HG2      VAL  14   5.944   5.690   2.877
  100   3HG2  VAL  14          3HG2      VAL  14   6.787   6.747   4.010
  101    H    CYS  15           H        CYS  15   4.691   9.199   0.388
  102    HA   CYS  15           HA       CYS  15   6.440  11.373  -0.283
  103   1HB   CYS  15          2HB       CYS  15   6.055  10.832  -2.522
  104   2HB   CYS  15          1HB       CYS  15   5.952   9.285  -1.692
  105    H    LYS  16           H        LYS  16   3.434  11.366   1.012
  106    HA   LYS  16           HA       LYS  16   1.834  12.912   1.329
  107   1HB   LYS  16          2HB       LYS  16   3.928  14.622   0.025
  108   2HB   LYS  16          1HB       LYS  16   2.354  15.284   0.441
  109   1HG   LYS  16          2HG       LYS  16   4.347  14.059   2.331
  110   2HG   LYS  16          1HG       LYS  16   3.927  15.767   2.192
  111   1HD   LYS  16          2HD       LYS  16   1.486  14.555   2.590
  112   2HD   LYS  16          1HD       LYS  16   2.572  13.610   3.613
  113   1HE   LYS  16          2HE       LYS  16   3.185  16.379   3.920
  114   2HE   LYS  16          1HE       LYS  16   1.449  16.153   4.128
  115   1HZ   LYS  16          1HZ       LYS  16   3.527  15.537   5.917
  116   2HZ   LYS  16          2HZ       LYS  16   2.731  14.097   5.508
  117   3HZ   LYS  16          3HZ       LYS  16   1.852  15.399   6.154
  118    H    ASP  17           H        ASP  17   2.509  11.658  -1.637
  119    HA   ASP  17           HA       ASP  17   0.421  13.184  -2.994
  120   1HB   ASP  17          2HB       ASP  17   2.709  12.540  -4.061
  121   2HB   ASP  17          1HB       ASP  17   1.940  10.975  -4.317
  122    H    GLY  18           H        GLY  18  -1.518  12.395  -3.544
  123   1HA   GLY  18          1HA       GLY  18  -2.368   9.995  -2.194
  124   2HA   GLY  18          2HA       GLY  18  -3.379  11.083  -3.140
  125    H    GLY  19           H        GLY  19  -3.604  10.759  -5.357
  126   1HA   GLY  19          1HA       GLY  19  -3.902   9.448  -7.217
  127   2HA   GLY  19          2HA       GLY  19  -2.211   9.038  -6.989
  128    H    GLU  20           H        GLU  20  -1.893   6.945  -7.040
  129    HA   GLU  20           HA       GLU  20  -3.978   5.057  -6.361
  130   1HB   GLU  20          2HB       GLU  20  -1.691   5.028  -7.991
  131   2HB   GLU  20          1HB       GLU  20  -1.356   3.883  -6.700
  132   1HG   GLU  20          2HG       GLU  20  -2.442   2.423  -7.980
  133   2HG   GLU  20          1HG       GLU  20  -3.904   3.212  -7.389
  134    H    LEU  21           H        LEU  21  -4.173   5.755  -4.119
  135    HA   LEU  21           HA       LEU  21  -1.953   5.463  -2.356
  136   1HB   LEU  21          2HB       LEU  21  -4.824   6.152  -2.081
  137   2HB   LEU  21          1HB       LEU  21  -4.014   5.537  -0.653
  138    HG   LEU  21           HG       LEU  21  -3.065   7.919  -2.245
  139   1HD1  LEU  21          1HD1      LEU  21  -5.179   8.457  -1.243
  140   2HD1  LEU  21          2HD1      LEU  21  -4.667   7.776   0.301
  141   3HD1  LEU  21          3HD1      LEU  21  -3.892   9.233  -0.319
  142   1HD2  LEU  21          1HD2      LEU  21  -2.196   6.684   0.358
  143   2HD2  LEU  21          2HD2      LEU  21  -1.234   6.942  -1.099
  144   3HD2  LEU  21          3HD2      LEU  21  -1.759   8.321  -0.132
  145    H    LEU  22           H        LEU  22  -1.142   3.584  -1.901
  146    HA   LEU  22           HA       LEU  22  -2.736   1.167  -1.846
  147   1HB   LEU  22          2HB       LEU  22  -0.060   1.728  -2.326
  148   2HB   LEU  22          1HB       LEU  22  -0.043   0.979  -0.740
  149    HG   LEU  22           HG       LEU  22  -0.994  -1.036  -1.574
  150   1HD1  LEU  22          1HD1      LEU  22  -1.482  -1.136  -4.114
  151   2HD1  LEU  22          2HD1      LEU  22  -2.687  -0.438  -3.033
  152   3HD1  LEU  22          3HD1      LEU  22  -1.637   0.615  -3.982
  153   1HD2  LEU  22          1HD2      LEU  22   1.050  -1.571  -2.255
  154   2HD2  LEU  22          2HD2      LEU  22   0.606  -1.016  -3.870
  155   3HD2  LEU  22          3HD2      LEU  22   1.377   0.094  -2.737
  156    H    CYS  23           H        CYS  23  -3.963   0.788  -0.157
  157    HA   CYS  23           HA       CYS  23  -3.057   1.740   2.474
  158   1HB   CYS  23          2HB       CYS  23  -5.750   1.417   2.750
  159   2HB   CYS  23          1HB       CYS  23  -4.963   2.934   2.334
  160    HG   CYS  23           HG       CYS  23  -5.669   0.980  -0.304
  161    H    CYS  24           H        CYS  24  -2.811   0.334   4.073
  162    HA   CYS  24           HA       CYS  24  -3.115  -2.462   3.722
  163   1HB   CYS  24          2HB       CYS  24  -1.475  -1.564   5.291
  164   2HB   CYS  24          1HB       CYS  24  -2.746  -0.800   6.232
  165    H    ASP  25           H        ASP  25  -4.749  -3.807   4.306
  166    HA   ASP  25           HA       ASP  25  -7.341  -2.624   4.705
  167   1HB   ASP  25          2HB       ASP  25  -6.740  -4.801   3.397
  168   2HB   ASP  25          1HB       ASP  25  -6.804  -5.569   4.982
  169    H    THR  26           H        THR  26  -4.820  -3.453   6.699
  170    HA   THR  26           HA       THR  26  -6.552  -3.998   9.000
  171    HB   THR  26           HB       THR  26  -3.692  -4.077   9.525
  172    HG1  THR  26           1HG      THR  26  -3.541  -4.714   7.351
  173   1HG2  THR  26          1HG2      THR  26  -5.370  -6.514   9.592
  174   2HG2  THR  26          2HG2      THR  26  -5.877  -5.178  10.625
  175   3HG2  THR  26          3HG2      THR  26  -4.263  -5.868  10.804
  176    H    CYS  27           H        CYS  27  -3.663  -2.063   8.182
  177    HA   CYS  27           HA       CYS  27  -4.326  -0.206  10.356
  178   1HB   CYS  27          2HB       CYS  27  -1.831  -0.014   8.717
  179   2HB   CYS  27          1HB       CYS  27  -2.083   0.379  10.414
  180    HA   PRO  28           HA       PRO  28  -5.265   3.097   7.462
  181   1HB   PRO  28          2HB       PRO  28  -4.416   5.261   8.811
  182   2HB   PRO  28          1HB       PRO  28  -5.834   4.342   9.330
  183   1HG   PRO  28          2HG       PRO  28  -3.046   4.293  10.406
  184   2HG   PRO  28          1HG       PRO  28  -4.587   4.238  11.280
  185   1HD   PRO  28          2HD       PRO  28  -3.036   2.032  10.716
  186   2HD   PRO  28          1HD       PRO  28  -4.781   1.981  11.028
  187    H    SER  29           H        SER  29  -2.820   1.637   7.047
  188    HA   SER  29           HA       SER  29  -0.677   3.498   6.635
  189   1HB   SER  29          2HB       SER  29  -1.111   0.580   6.009
  190   2HB   SER  29          1HB       SER  29   0.333   1.441   5.482
  191    HG   SER  29           HG       SER  29   0.342   0.261   7.603
  192    H    SER  30           H        SER  30  -1.008   4.978   5.070
  193    HA   SER  30           HA       SER  30  -2.022   4.020   2.479
  194   1HB   SER  30          2HB       SER  30  -1.966   6.932   3.020
  195   2HB   SER  30          1HB       SER  30  -3.199   5.952   2.225
  196    HG   SER  30           HG       SER  30  -2.960   5.325   4.857
  197    H    TYR  31           H        TYR  31  -0.170   3.419   1.489
  198    HA   TYR  31           HA       TYR  31   1.930   5.478   1.221
  199   1HB   TYR  31          2HB       TYR  31   2.382   2.532   0.766
  200   2HB   TYR  31          1HB       TYR  31   3.583   3.786   1.025
  201    HD1  TYR  31           1HD      TYR  31   1.560   1.246   2.519
  202    HD2  TYR  31           2HD      TYR  31   3.805   4.754   3.379
  203    HE1  TYR  31           1HE      TYR  31   1.762   0.531   4.851
  204    HE2  TYR  31           2HE      TYR  31   3.998   4.055   5.732
  205    HH   TYR  31           HH       TYR  31   2.125   1.636   7.093
  206    H    HIS  32           H        HIS  32   3.240   3.842  -0.804
  207    HA   HIS  32           HA       HIS  32   1.300   3.621  -2.979
  208   1HB   HIS  32          2HB       HIS  32   3.803   5.237  -3.043
  209   2HB   HIS  32          1HB       HIS  32   3.462   4.241  -4.451
  210    HD2  HIS  32           2HD      HIS  32   0.908   4.861  -5.679
  211    HE1  HIS  32           1HE      HIS  32   0.993   8.798  -4.139
  212    HE2  HIS  32           2HE      HIS  32  -0.237   7.194  -5.661
  213    H    ILE  33           H        ILE  33   3.226   2.721  -4.859
  214    HA   ILE  33           HA       ILE  33   3.837   0.100  -3.756
  215    HB   ILE  33           HB       ILE  33   4.545  -0.456  -6.064
  216   1HG1  ILE  33          2HG1      ILE  33   3.566   2.316  -6.779
  217   1HG2  ILE  33          1HG2      ILE  33   1.826   0.754  -5.651
  218   2HG2  ILE  33          2HG2      ILE  33   2.259  -0.155  -7.098
  219   3HG2  ILE  33          3HG2      ILE  33   2.300  -0.939  -5.518
  220   1HD1  ILE  33          1HD1      ILE  33   3.262   1.091  -8.698
  221   2HD1  ILE  33          2HD1      ILE  33   4.907   1.695  -8.902
  222   3HD1  ILE  33          3HD1      ILE  33   4.637   0.035  -8.370
  223    H    HIS  34           H        HIS  34   5.334   3.092  -4.125
  224    HA   HIS  34           HA       HIS  34   7.990   1.892  -3.746
  225   1HB   HIS  34          2HB       HIS  34   8.843   3.991  -4.976
  226   2HB   HIS  34          1HB       HIS  34   8.117   2.713  -5.944
  227    HD2  HIS  34           2HD      HIS  34   6.186   5.632  -4.124
  228    HE1  HIS  34           1HE      HIS  34   5.488   5.805  -8.290
  229    HE2  HIS  34           2HE      HIS  34   5.096   6.962  -6.065
  230    H    CYS  35           H        CYS  35   5.771   3.261  -2.031
  231    HA   CYS  35           HA       CYS  35   7.561   5.192  -0.730
  232   1HB   CYS  35          2HB       CYS  35   4.546   5.101  -0.454
  233   2HB   CYS  35          1HB       CYS  35   5.634   6.354   0.129
  234    H    LEU  36           H        LEU  36   7.711   2.422  -0.467
  235    HA   LEU  36           HA       LEU  36   7.448   2.250   2.439
  236   1HB   LEU  36          2HB       LEU  36   7.302  -0.390   1.388
  237   2HB   LEU  36          1HB       LEU  36   6.129   0.448   2.388
  238    HG   LEU  36           HG       LEU  36   5.757   1.405  -0.239
  239   1HD1  LEU  36          1HD1      LEU  36   6.959  -1.072  -0.423
  240   2HD1  LEU  36          2HD1      LEU  36   5.236  -1.425  -0.550
  241   3HD1  LEU  36          3HD1      LEU  36   5.987  -0.283  -1.664
  242   1HD2  LEU  36          1HD2      LEU  36   3.983   1.275   1.323
  243   2HD2  LEU  36          2HD2      LEU  36   3.595   0.149   0.022
  244   3HD2  LEU  36          3HD2      LEU  36   4.223  -0.457   1.553
  245    H    ASN  37           H        ASN  37   8.782  -0.172   2.757
  246    HA   ASN  37           HA       ASN  37  11.443   0.621   1.991
  247   1HB   ASN  37          2HB       ASN  37  10.464  -1.768   3.555
  248   2HB   ASN  37          1HB       ASN  37  12.161  -1.437   3.231
  249   1HD2  ASN  37          1HD2      ASN  37  12.189   1.322   3.566
  250   2HD2  ASN  37          2HD2      ASN  37  11.849   1.688   5.228
  251    HA   PRO  38           HA       PRO  38  11.348  -3.172  -0.824
  252   1HB   PRO  38          2HB       PRO  38   9.440  -5.029  -0.714
  253   2HB   PRO  38          1HB       PRO  38  10.723  -4.973   0.499
  254   1HG   PRO  38          2HG       PRO  38   7.884  -4.104   0.703
  255   2HG   PRO  38          1HG       PRO  38   8.925  -4.837   1.932
  256   1HD   PRO  38          2HD       PRO  38   8.345  -2.104   1.651
  257   2HD   PRO  38          1HD       PRO  38   9.624  -2.808   2.659
  258    HA   PRO  39           HA       PRO  39   8.449  -0.876  -3.471
  259   1HB   PRO  39          2HB       PRO  39  10.471  -1.281  -5.544
  260   2HB   PRO  39          1HB       PRO  39   9.880   0.227  -4.843
  261   1HG   PRO  39          2HG       PRO  39  12.372  -0.714  -4.383
  262   2HG   PRO  39          1HG       PRO  39  11.472   0.232  -3.182
  263   1HD   PRO  39          2HD       PRO  39  11.886  -2.732  -3.344
  264   2HD   PRO  39          1HD       PRO  39  11.924  -1.665  -1.923
  265    H    LEU  40           H        LEU  40   6.791  -1.921  -4.315
  266    HA   LEU  40           HA       LEU  40   7.255  -4.418  -5.793
  267   1HB   LEU  40          2HB       LEU  40   4.620  -4.427  -5.611
  268   2HB   LEU  40          1HB       LEU  40   5.632  -5.010  -4.306
  269    HG   LEU  40           HG       LEU  40   5.110  -2.182  -4.000
  270   1HD1  LEU  40          1HD1      LEU  40   3.065  -2.481  -5.143
  271   2HD1  LEU  40          2HD1      LEU  40   2.763  -4.026  -4.346
  272   3HD1  LEU  40          3HD1      LEU  40   2.678  -2.526  -3.424
  273   1HD2  LEU  40          1HD2      LEU  40   5.466  -4.503  -2.443
  274   2HD2  LEU  40          2HD2      LEU  40   5.309  -2.836  -1.886
  275   3HD2  LEU  40          3HD2      LEU  40   3.877  -3.853  -2.038
  276    HA   PRO  41           HA       PRO  41   6.595  -2.078  -9.456
  277   1HB   PRO  41          2HB       PRO  41   6.220  -4.615 -10.868
  278   2HB   PRO  41          1HB       PRO  41   7.542  -3.452 -10.992
  279   1HG   PRO  41          2HG       PRO  41   7.858  -5.878  -9.850
  280   2HG   PRO  41          1HG       PRO  41   8.757  -4.447  -9.310
  281   1HD   PRO  41          2HD       PRO  41   6.338  -5.739  -8.098
  282   2HD   PRO  41          1HD       PRO  41   7.780  -5.073  -7.301
  283    H    GLU  42           H        GLU  42   4.354  -4.672  -8.635
  284    HA   GLU  42           HA       GLU  42   2.334  -3.471 -10.399
  285   1HB   GLU  42          2HB       GLU  42   1.545  -5.961  -9.134
  286   2HB   GLU  42          1HB       GLU  42   1.630  -5.552 -10.841
  287   1HG   GLU  42          2HG       GLU  42   3.186  -7.177 -10.848
  288   2HG   GLU  42          1HG       GLU  42   4.239  -5.856 -10.340
  289    H    ILE  43           H        ILE  43   0.329  -2.858  -9.653
  290    HA   ILE  43           HA       ILE  43   0.168  -2.272  -6.813
  291    HB   ILE  43           HB       ILE  43  -2.161  -1.343  -7.585
  292   1HG1  ILE  43          2HG1      ILE  43  -0.917  -0.739 -10.175
  293   1HG2  ILE  43          1HG2      ILE  43   0.536  -0.137  -8.055
  294   2HG2  ILE  43          2HG2      ILE  43  -0.937   0.765  -8.415
  295   3HG2  ILE  43          3HG2      ILE  43  -0.632   0.193  -6.774
  296   1HD1  ILE  43          1HD1      ILE  43  -3.423  -1.851 -10.565
  297   2HD1  ILE  43          2HD1      ILE  43  -3.553  -0.967  -9.045
  298   3HD1  ILE  43          3HD1      ILE  43  -3.016  -0.135 -10.505
  299    HA   PRO  44           HA       PRO  44  -1.861  -6.178  -6.034
  300   1HB   PRO  44          2HB       PRO  44  -2.589  -4.722  -3.544
  301   2HB   PRO  44          1HB       PRO  44  -1.845  -6.314  -3.744
  302   1HG   PRO  44          2HG       PRO  44  -0.386  -4.230  -2.966
  303   2HG   PRO  44          1HG       PRO  44   0.270  -5.436  -4.090
  304   1HD   PRO  44          2HD       PRO  44  -0.732  -2.677  -4.639
  305   2HD   PRO  44          1HD       PRO  44   0.617  -3.560  -5.381
  306    H    ASN  45           H        ASN  45  -3.818  -6.777  -6.647
  307    HA   ASN  45           HA       ASN  45  -5.909  -4.788  -6.940
  308   1HB   ASN  45          2HB       ASN  45  -5.256  -6.646  -8.636
  309   2HB   ASN  45          1HB       ASN  45  -6.217  -7.703  -7.604
  310   1HD2  ASN  45          1HD2      ASN  45  -7.140  -7.629  -9.991
  311   2HD2  ASN  45          2HD2      ASN  45  -8.507  -6.578 -10.168
  312    H    GLY  46           H        GLY  46  -7.613  -4.546  -5.658
  313   1HA   GLY  46          1HA       GLY  46  -9.378  -5.349  -4.284
  314   2HA   GLY  46          2HA       GLY  46  -8.396  -6.751  -3.886
  315    H    GLU  47           H        GLU  47  -7.183  -6.728  -2.094
  316    HA   GLU  47           HA       GLU  47  -6.859  -4.150  -0.722
  317   1HB   GLU  47          2HB       GLU  47  -7.170  -5.242   1.436
  318   2HB   GLU  47          1HB       GLU  47  -8.600  -5.440   0.434
  319   1HG   GLU  47          2HG       GLU  47  -6.906  -7.664  -0.031
  320   2HG   GLU  47          1HG       GLU  47  -7.021  -7.425   1.710
  321    H    TRP  48           H        TRP  48  -4.963  -3.879   0.453
  322    HA   TRP  48           HA       TRP  48  -2.930  -5.971   0.183
  323   1HB   TRP  48          2HB       TRP  48  -2.383  -4.579  -1.642
  324   2HB   TRP  48          1HB       TRP  48  -2.812  -3.116  -0.770
  325    HD1  TRP  48           HD       TRP  48   0.082  -5.543  -1.299
  326    HE1  TRP  48           1HE      TRP  48   2.224  -4.492  -0.323
  327    HE3  TRP  48           3HE      TRP  48  -2.017  -1.541   1.050
  328    HZ2  TRP  48           2HZ      TRP  48   2.913  -2.228   1.246
  329    HZ3  TRP  48           3HZ      TRP  48  -0.570   0.020   2.251
  330    HH2  TRP  48           HH       TRP  48   1.847  -0.311   2.359
  331    H    LEU  49           H        LEU  49  -1.191  -5.694   1.792
  332    HA   LEU  49           HA       LEU  49  -2.019  -4.028   4.071
  333   1HB   LEU  49          2HB       LEU  49  -0.730  -6.679   4.528
  334   2HB   LEU  49          1HB       LEU  49  -1.785  -5.764   5.585
  335    HG   LEU  49           HG       LEU  49  -2.851  -7.011   3.072
  336   1HD1  LEU  49          1HD1      LEU  49  -1.580  -8.656   4.590
  337   2HD1  LEU  49          2HD1      LEU  49  -2.915  -8.410   5.717
  338   3HD1  LEU  49          3HD1      LEU  49  -3.227  -9.056   4.104
  339   1HD2  LEU  49          1HD2      LEU  49  -3.945  -5.370   5.005
  340   2HD2  LEU  49          2HD2      LEU  49  -4.831  -6.360   3.846
  341   3HD2  LEU  49          3HD2      LEU  49  -4.493  -6.982   5.461
  342    H    CYS  50           H        CYS  50  -0.290  -3.456   5.523
  343    HA   CYS  50           HA       CYS  50   1.910  -2.305   4.511
  344   1HB   CYS  50          2HB       CYS  50   1.919  -3.741   7.170
  345   2HB   CYS  50          1HB       CYS  50   2.946  -2.392   6.710
  346    HA   PRO  51           HA       PRO  51   5.079  -5.213   3.281
  347   1HB   PRO  51          2HB       PRO  51   6.962  -3.656   4.960
  348   2HB   PRO  51          1HB       PRO  51   7.040  -4.036   3.236
  349   1HG   PRO  51          2HG       PRO  51   6.426  -1.579   4.053
  350   2HG   PRO  51          1HG       PRO  51   5.601  -2.304   2.661
  351   1HD   PRO  51          2HD       PRO  51   4.635  -2.000   5.481
  352   2HD   PRO  51          1HD       PRO  51   3.758  -1.741   3.957
  353    H    ARG  52           H        ARG  52   4.187  -4.649   6.498
  354    HA   ARG  52           HA       ARG  52   5.690  -6.993   7.445
  355   1HB   ARG  52          2HB       ARG  52   4.101  -5.118   9.191
  356   2HB   ARG  52          1HB       ARG  52   5.348  -6.259   9.676
  357   1HG   ARG  52          2HG       ARG  52   6.996  -4.798   9.300
  358   2HG   ARG  52          1HG       ARG  52   6.276  -4.225   7.794
  359   1HD   ARG  52          2HD       ARG  52   4.579  -3.316   9.815
  360   2HD   ARG  52          1HD       ARG  52   6.209  -3.054  10.432
  361    HE   ARG  52           HE       ARG  52   6.648  -1.795   8.350
  362   1HH1  ARG  52          2HH1      ARG  52   3.342  -2.258   9.425
  363   2HH1  ARG  52          1HH1      ARG  52   2.735  -0.886   8.554
  364   1HH2  ARG  52          2HH2      ARG  52   5.858   0.055   7.252
  365   2HH2  ARG  52          1HH2      ARG  52   4.173   0.468   7.371
  366    H    CYS  53           H        CYS  53   2.479  -5.514   7.266
  367    HA   CYS  53           HA       CYS  53   1.026  -7.649   8.384
  368   1HB   CYS  53          2HB       CYS  53   0.217  -5.429   6.502
  369   2HB   CYS  53          1HB       CYS  53  -0.925  -6.535   7.259
  370    H    THR  54           H        THR  54   2.196  -7.040   5.153
  371    HA   THR  54           HA       THR  54   0.557  -8.924   3.815
  372    HB   THR  54           HB       THR  54   1.988  -6.982   2.840
  373    HG1  THR  54           1HG      THR  54   0.726  -8.345   1.535
  374   1HG2  THR  54          1HG2      THR  54   4.181  -7.474   3.440
  375   2HG2  THR  54          2HG2      THR  54   4.097  -8.014   1.763
  376   3HG2  THR  54          3HG2      THR  54   4.001  -9.191   3.074
  377    H    CYS  55           H        CYS  55   3.004  -9.353   6.025
  378    HA   CYS  55           HA       CYS  55   4.164 -11.122   6.818
  379   1HB   CYS  55          2HB       CYS  55   2.068 -12.773   5.407
  380   2HB   CYS  55          1HB       CYS  55   3.000 -13.219   6.834
  381    HG   CYS  55           HG       CYS  55   0.794 -10.603   6.819
  382    HA   PRO  56           HA       PRO  56   6.282 -12.319   2.842
  383   1HB   PRO  56          2HB       PRO  56   8.505 -10.814   3.108
  384   2HB   PRO  56          1HB       PRO  56   7.045 -10.209   2.318
  385   1HG   PRO  56          2HG       PRO  56   8.093  -9.662   5.048
  386   2HG   PRO  56          1HG       PRO  56   7.247  -8.577   3.933
  387   1HD   PRO  56          2HD       PRO  56   6.098  -9.882   6.098
  388   2HD   PRO  56          1HD       PRO  56   5.208  -9.202   4.723
  389    H    ALA  57           H        ALA  57   7.461 -11.618   6.100
  390    HA   ALA  57           HA       ALA  57   8.892 -14.199   6.075
  391   1HB   ALA  57          1HB       ALA  57  10.611 -12.590   6.125
  392   2HB   ALA  57          2HB       ALA  57   9.735 -11.570   7.266
  393   3HB   ALA  57          3HB       ALA  57  10.417 -13.106   7.799
  394    H    LEU  58           H        LEU  58   6.215 -12.862   7.043
  395    HA   LEU  58           HA       LEU  58   6.292 -13.713   9.843
  396   1HB   LEU  58          2HB       LEU  58   5.000 -11.608   8.461
  397   2HB   LEU  58          1HB       LEU  58   3.741 -12.694   9.013
  398    HG   LEU  58           HG       LEU  58   5.155 -12.475  11.290
  399   1HD1  LEU  58          1HD1      LEU  58   6.041 -10.316  11.613
  400   2HD1  LEU  58          2HD1      LEU  58   6.715 -10.878  10.083
  401   3HD1  LEU  58          3HD1      LEU  58   5.378  -9.729  10.086
  402   1HD2  LEU  58          1HD2      LEU  58   2.803 -11.165  10.139
  403   2HD2  LEU  58          2HD2      LEU  58   3.009 -11.976  11.691
  404   3HD2  LEU  58          3HD2      LEU  58   3.523 -10.301  11.496
  405    H    LYS  59           H        LYS  59   4.079 -14.750  10.536
  406    HA   LYS  59           HA       LYS  59   3.730 -17.090   8.840
  407   1HB   LYS  59          2HB       LYS  59   3.383 -16.471  11.654
  408   2HB   LYS  59          1HB       LYS  59   1.975 -17.296  11.001
  409   1HG   LYS  59          2HG       LYS  59   4.543 -18.479  10.233
  410   2HG   LYS  59          1HG       LYS  59   4.191 -18.526  11.961
  411   1HD   LYS  59          2HD       LYS  59   2.136 -19.371   9.955
  412   2HD   LYS  59          1HD       LYS  59   3.401 -20.484  10.476
  413   1HE   LYS  59          2HE       LYS  59   2.651 -20.498  12.682
  414   2HE   LYS  59          1HE       LYS  59   1.727 -19.011  12.475
  415   1HZ   LYS  59          1HZ       LYS  59   0.304 -20.328  10.883
  416   2HZ   LYS  59          2HZ       LYS  59   0.165 -20.739  12.523
  417   3HZ   LYS  59          3HZ       LYS  59   1.070 -21.720  11.479
  418    H    GLY  60           H        GLY  60   2.633 -16.215   7.083
  419   1HA   GLY  60          1HA       GLY  60  -0.202 -16.122   7.329
  420   2HA   GLY  60          2HA       GLY  60   0.461 -14.511   7.093
  421    H    LYS  61           H        LYS  61  -1.052 -16.751   5.468
  422    HA   LYS  61           HA       LYS  61   0.079 -15.944   2.943
  423   1HB   LYS  61          2HB       LYS  61   0.855 -18.427   4.071
  424   2HB   LYS  61          1HB       LYS  61  -0.283 -18.791   2.781
  425   1HG   LYS  61          2HG       LYS  61   1.824 -16.826   2.143
  426   2HG   LYS  61          1HG       LYS  61   2.346 -18.492   2.394
  427   1HD   LYS  61          2HD       LYS  61   1.809 -18.786   0.236
  428   2HD   LYS  61          1HD       LYS  61   0.137 -18.809   0.805
  429   1HE   LYS  61          2HE       LYS  61   1.026 -16.100   0.487
  430   2HE   LYS  61          1HE       LYS  61   1.324 -17.004  -0.996
  431   1HZ   LYS  61          1HZ       LYS  61  -1.292 -17.045   0.402
  432   2HZ   LYS  61          2HZ       LYS  61  -0.940 -17.550  -1.180
  433   3HZ   LYS  61          3HZ       LYS  61  -0.910 -15.905  -0.798
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -13.186  -7.429   3.562
    2   2H    GLY   1          2H        GLY   1 -14.089  -6.971   4.919
    3   3H    GLY   1          3H        GLY   1 -12.809  -8.074   5.083
    4   1HA   GLY   1          2HA       GLY   1 -11.919  -6.087   5.865
    5   2HA   GLY   1          1HA       GLY   1 -11.312  -6.241   4.220
    6    HA   PRO   2           HA       PRO   2 -13.458  -2.097   4.761
    7   1HB   PRO   2          2HB       PRO   2 -10.925  -0.952   3.860
    8   2HB   PRO   2          1HB       PRO   2 -11.848  -0.601   5.322
    9   1HG   PRO   2          2HG       PRO   2  -9.476  -1.905   5.368
   10   2HG   PRO   2          1HG       PRO   2 -10.763  -2.207   6.550
   11   1HD   PRO   2          2HD       PRO   2  -9.988  -3.804   4.140
   12   2HD   PRO   2          1HD       PRO   2 -10.471  -4.364   5.756
   13    H    LEU   3           H        LEU   3 -14.478  -3.175   2.844
   14    HA   LEU   3           HA       LEU   3 -13.307  -2.658   0.258
   15   1HB   LEU   3          2HB       LEU   3 -14.744  -4.651   0.791
   16   2HB   LEU   3          1HB       LEU   3 -16.113  -3.560   0.892
   17    HG   LEU   3           HG       LEU   3 -15.578  -2.891  -1.504
   18   1HD1  LEU   3          1HD1      LEU   3 -14.114  -5.502  -1.609
   19   2HD1  LEU   3          2HD1      LEU   3 -14.184  -4.218  -2.818
   20   3HD1  LEU   3          3HD1      LEU   3 -13.267  -3.979  -1.332
   21   1HD2  LEU   3          1HD2      LEU   3 -16.760  -4.813  -2.421
   22   2HD2  LEU   3          2HD2      LEU   3 -16.422  -5.732  -0.955
   23   3HD2  LEU   3          3HD2      LEU   3 -17.469  -4.314  -0.884
   24    H    GLY   4           H        GLY   4 -16.297  -1.626   1.891
   25   1HA   GLY   4          1HA       GLY   4 -16.482   0.701   0.121
   26   2HA   GLY   4          2HA       GLY   4 -17.663   0.216   1.336
   27    H    SER   5           H        SER   5 -15.346  -0.210   3.209
   28    HA   SER   5           HA       SER   5 -15.304   2.462   4.305
   29   1HB   SER   5          2HB       SER   5 -13.676   0.747   5.834
   30   2HB   SER   5          1HB       SER   5 -15.343   1.221   6.173
   31    HG   SER   5           HG       SER   5 -15.390  -0.970   6.052
   32    H    ASP   6           H        ASP   6 -13.670   1.349   1.860
   33    HA   ASP   6           HA       ASP   6 -10.932   1.695   2.595
   34   1HB   ASP   6          2HB       ASP   6 -11.287   0.383   0.657
   35   2HB   ASP   6          1HB       ASP   6 -12.396   1.561  -0.039
   36    H    HIS   7           H        HIS   7 -10.108   3.593   3.201
   37    HA   HIS   7           HA       HIS   7 -10.637   5.943   1.589
   38   1HB   HIS   7          2HB       HIS   7 -11.412   7.350   3.399
   39   2HB   HIS   7          1HB       HIS   7 -12.476   5.957   3.247
   40    HD2  HIS   7           2HD      HIS   7 -10.832   3.865   5.149
   41    HE1  HIS   7           1HE      HIS   7 -11.238   6.917   8.053
   42    HE2  HIS   7           2HE      HIS   7 -10.650   4.482   7.665
   43    H    HIS   8           H        HIS   8  -9.015   4.654   4.474
   44    HA   HIS   8           HA       HIS   8  -7.021   5.151   5.441
   45   1HB   HIS   8          2HB       HIS   8  -6.537   5.062   2.524
   46   2HB   HIS   8          1HB       HIS   8  -5.259   5.788   3.486
   47    HD2  HIS   8           2HD      HIS   8  -7.243   2.610   4.669
   48    HE1  HIS   8           1HE      HIS   8  -3.180   1.662   4.041
   49    HE2  HIS   8           2HE      HIS   8  -5.335   0.926   5.147
   50    H    MET   9           H        MET   9  -5.165   7.121   3.877
   51    HA   MET   9           HA       MET   9  -6.323   9.558   5.027
   52   1HB   MET   9          2HB       MET   9  -3.564   8.560   4.687
   53   2HB   MET   9          1HB       MET   9  -3.794  10.265   4.326
   54   1HG   MET   9          2HG       MET   9  -4.902  10.474   6.576
   55   2HG   MET   9          1HG       MET   9  -4.334   8.838   6.912
   56   1HE   MET   9          1HE       MET   9  -3.502  12.511   6.312
   57   2HE   MET   9          2HE       MET   9  -3.614  12.176   8.041
   58   3HE   MET   9          3HE       MET   9  -2.080  12.690   7.340
   59    H    GLU  10           H        GLU  10  -5.672  11.572   3.693
   60    HA   GLU  10           HA       GLU  10  -6.718  11.196   1.050
   61   1HB   GLU  10          2HB       GLU  10  -6.150  13.719   0.905
   62   2HB   GLU  10          1HB       GLU  10  -7.409  13.196   2.016
   63   1HG   GLU  10          2HG       GLU  10  -4.688  13.307   3.127
   64   2HG   GLU  10          1HG       GLU  10  -5.408  14.852   2.685
   65    H    PHE  11           H        PHE  11  -3.603  11.112   2.380
   66    HA   PHE  11           HA       PHE  11  -2.441  11.043  -0.289
   67   1HB   PHE  11          2HB       PHE  11  -0.563  12.493   0.371
   68   2HB   PHE  11          1HB       PHE  11  -2.093  13.356   0.439
   69    HD1  PHE  11           1HD      PHE  11  -2.968  14.174   2.509
   70    HD2  PHE  11           2HD      PHE  11   0.612  11.869   2.440
   71    HE1  PHE  11           1HE      PHE  11  -2.493  14.843   4.829
   72    HE2  PHE  11           2HE      PHE  11   1.090  12.539   4.754
   73    HZ   PHE  11           HZ       PHE  11  -0.461  14.026   5.953
   74    H    CYS  12           H        CYS  12  -0.248  10.115  -0.274
   75    HA   CYS  12           HA       CYS  12  -0.005   8.015   1.718
   76   1HB   CYS  12          2HB       CYS  12   0.789   6.938  -0.087
   77   2HB   CYS  12          1HB       CYS  12   0.912   8.433  -1.002
   78    HG   CYS  12           HG       CYS  12   3.429   8.710  -0.902
   79    H    ARG  13           H        ARG  13   1.139   8.248   3.469
   80    HA   ARG  13           HA       ARG  13   2.090  10.673   4.276
   81   1HB   ARG  13          2HB       ARG  13   2.088   9.648   6.244
   82   2HB   ARG  13          1HB       ARG  13   1.743   8.146   5.406
   83   1HG   ARG  13          2HG       ARG  13   4.027   7.529   5.379
   84   2HG   ARG  13          1HG       ARG  13   4.532   9.138   5.899
   85   1HD   ARG  13          2HD       ARG  13   4.625   8.097   7.915
   86   2HD   ARG  13          1HD       ARG  13   2.919   8.543   7.934
   87    HE   ARG  13           HE       ARG  13   3.694   5.900   6.916
   88   1HH1  ARG  13          2HH1      ARG  13   2.034   7.858   9.303
   89   2HH1  ARG  13          1HH1      ARG  13   1.309   6.491  10.102
   90   1HH2  ARG  13          2HH2      ARG  13   2.766   4.102   7.984
   91   2HH2  ARG  13          1HH2      ARG  13   1.722   4.365   9.358
   92    H    VAL  14           H        VAL  14   3.893   8.235   2.559
   93    HA   VAL  14           HA       VAL  14   6.469   9.323   3.215
   94    HB   VAL  14           HB       VAL  14   5.808   7.407   0.973
   95   1HG1  VAL  14          1HG1      VAL  14   8.374   7.725   2.518
   96   2HG1  VAL  14          2HG1      VAL  14   8.098   6.766   1.065
   97   3HG1  VAL  14          3HG1      VAL  14   8.059   8.526   0.979
   98   1HG2  VAL  14          1HG2      VAL  14   5.600   7.043   3.801
   99   2HG2  VAL  14          2HG2      VAL  14   5.288   5.889   2.505
  100   3HG2  VAL  14          3HG2      VAL  14   6.911   6.045   3.176
  101    H    CYS  15           H        CYS  15   4.186   9.675   0.586
  102    HA   CYS  15           HA       CYS  15   6.040  11.180  -1.066
  103   1HB   CYS  15          2HB       CYS  15   3.155  10.377  -1.326
  104   2HB   CYS  15          1HB       CYS  15   3.849  11.591  -2.393
  105    H    LYS  16           H        LYS  16   3.533  11.714   1.231
  106    HA   LYS  16           HA       LYS  16   2.569  13.567   2.148
  107   1HB   LYS  16          2HB       LYS  16   4.385  15.291   0.446
  108   2HB   LYS  16          1HB       LYS  16   3.464  15.782   1.861
  109   1HG   LYS  16          2HG       LYS  16   5.111  15.206   3.230
  110   2HG   LYS  16          1HG       LYS  16   5.261  13.612   2.486
  111   1HD   LYS  16          2HD       LYS  16   6.316  15.405   0.616
  112   2HD   LYS  16          1HD       LYS  16   6.932  15.946   2.180
  113   1HE   LYS  16          2HE       LYS  16   8.141  14.041   2.516
  114   2HE   LYS  16          1HE       LYS  16   7.020  13.039   1.598
  115   1HZ   LYS  16          1HZ       LYS  16   8.266  13.252  -0.204
  116   2HZ   LYS  16          2HZ       LYS  16   9.443  14.022   0.743
  117   3HZ   LYS  16          3HZ       LYS  16   8.289  14.946  -0.085
  118    H    ASP  17           H        ASP  17   2.201  12.182  -0.500
  119    HA   ASP  17           HA       ASP  17   0.061  13.844  -1.509
  120   1HB   ASP  17          2HB       ASP  17   2.130  14.517  -2.776
  121   2HB   ASP  17          1HB       ASP  17   2.235  12.861  -3.363
  122    H    GLY  18           H        GLY  18  -1.459  12.686  -2.772
  123   1HA   GLY  18          1HA       GLY  18  -1.355   9.810  -2.179
  124   2HA   GLY  18          2HA       GLY  18  -2.813  10.757  -2.446
  125    H    GLY  19           H        GLY  19  -3.813  10.019  -4.175
  126   1HA   GLY  19          1HA       GLY  19  -3.932   9.999  -6.588
  127   2HA   GLY  19          2HA       GLY  19  -2.225   9.586  -6.624
  128    H    GLU  20           H        GLU  20  -1.700   7.535  -6.882
  129    HA   GLU  20           HA       GLU  20  -3.757   5.485  -6.939
  130   1HB   GLU  20          2HB       GLU  20  -1.320   5.909  -8.248
  131   2HB   GLU  20          1HB       GLU  20  -1.020   4.541  -7.186
  132   1HG   GLU  20          2HG       GLU  20  -1.756   3.442  -9.029
  133   2HG   GLU  20          1HG       GLU  20  -3.292   3.684  -8.196
  134    H    LEU  21           H        LEU  21  -3.965   6.106  -4.498
  135    HA   LEU  21           HA       LEU  21  -1.891   5.281  -2.776
  136   1HB   LEU  21          2HB       LEU  21  -4.625   6.349  -2.471
  137   2HB   LEU  21          1HB       LEU  21  -3.983   5.465  -1.099
  138    HG   LEU  21           HG       LEU  21  -2.402   7.670  -2.380
  139   1HD1  LEU  21          1HD1      LEU  21  -4.500   7.957  -0.234
  140   2HD1  LEU  21          2HD1      LEU  21  -3.290   9.177  -0.636
  141   3HD1  LEU  21          3HD1      LEU  21  -4.502   8.709  -1.830
  142   1HD2  LEU  21          1HD2      LEU  21  -1.060   7.496  -0.573
  143   2HD2  LEU  21          2HD2      LEU  21  -2.385   7.057   0.506
  144   3HD2  LEU  21          3HD2      LEU  21  -1.688   5.848  -0.573
  145    H    LEU  22           H        LEU  22  -1.435   3.497  -1.828
  146    HA   LEU  22           HA       LEU  22  -3.082   1.128  -2.261
  147   1HB   LEU  22          2HB       LEU  22  -0.318   1.621  -2.021
  148   2HB   LEU  22          1HB       LEU  22  -0.764   0.706  -0.595
  149    HG   LEU  22           HG       LEU  22  -1.400  -1.169  -1.834
  150   1HD1  LEU  22          1HD1      LEU  22  -1.866   0.791  -3.993
  151   2HD1  LEU  22          2HD1      LEU  22  -1.317  -0.810  -4.487
  152   3HD1  LEU  22          3HD1      LEU  22  -2.789  -0.641  -3.532
  153   1HD2  LEU  22          1HD2      LEU  22   0.778  -1.533  -2.112
  154   2HD2  LEU  22          2HD2      LEU  22   0.537  -1.011  -3.780
  155   3HD2  LEU  22          3HD2      LEU  22   1.086   0.143  -2.565
  156    H    CYS  23           H        CYS  23  -4.128   0.034  -0.656
  157    HA   CYS  23           HA       CYS  23  -4.143   1.322   1.996
  158   1HB   CYS  23          2HB       CYS  23  -6.668   0.166   1.559
  159   2HB   CYS  23          1HB       CYS  23  -6.277   1.882   1.626
  160    HG   CYS  23           HG       CYS  23  -7.848   1.355  -0.636
  161    H    CYS  24           H        CYS  24  -3.796   0.024   3.661
  162    HA   CYS  24           HA       CYS  24  -3.434  -2.777   3.433
  163   1HB   CYS  24          2HB       CYS  24  -2.444  -1.156   5.172
  164   2HB   CYS  24          1HB       CYS  24  -3.983  -1.294   5.991
  165    H    ASP  25           H        ASP  25  -4.713  -4.401   4.384
  166    HA   ASP  25           HA       ASP  25  -7.578  -3.824   4.442
  167   1HB   ASP  25          2HB       ASP  25  -6.410  -5.890   3.289
  168   2HB   ASP  25          1HB       ASP  25  -6.429  -6.555   4.918
  169    H    THR  26           H        THR  26  -5.059  -3.549   6.420
  170    HA   THR  26           HA       THR  26  -6.587  -4.317   8.812
  171    HB   THR  26           HB       THR  26  -3.736  -4.005   9.274
  172    HG1  THR  26           1HG      THR  26  -3.472  -4.857   7.209
  173   1HG2  THR  26          1HG2      THR  26  -5.181  -5.043  10.897
  174   2HG2  THR  26          2HG2      THR  26  -4.072  -6.268  10.283
  175   3HG2  THR  26          3HG2      THR  26  -5.738  -6.221   9.711
  176    H    CYS  27           H        CYS  27  -3.827  -2.219   7.952
  177    HA   CYS  27           HA       CYS  27  -4.770  -0.263   9.912
  178   1HB   CYS  27          2HB       CYS  27  -2.173   0.185   8.608
  179   2HB   CYS  27          1HB       CYS  27  -2.597   0.208  10.317
  180    HA   PRO  28           HA       PRO  28  -5.463   2.733   6.679
  181   1HB   PRO  28          2HB       PRO  28  -5.541   4.977   8.143
  182   2HB   PRO  28          1HB       PRO  28  -6.746   3.702   8.344
  183   1HG   PRO  28          2HG       PRO  28  -4.528   4.483  10.124
  184   2HG   PRO  28          1HG       PRO  28  -6.034   3.637  10.508
  185   1HD   PRO  28          2HD       PRO  28  -3.420   2.516  10.060
  186   2HD   PRO  28          1HD       PRO  28  -4.919   1.671  10.490
  187    H    SER  29           H        SER  29  -2.572   2.004   7.143
  188    HA   SER  29           HA       SER  29  -1.139   4.508   6.970
  189   1HB   SER  29          2HB       SER  29   0.384   2.161   6.186
  190   2HB   SER  29          1HB       SER  29   0.641   3.269   7.536
  191    HG   SER  29           HG       SER  29  -0.485   0.790   7.502
  192    H    SER  30           H        SER  30  -1.869   5.519   5.154
  193    HA   SER  30           HA       SER  30  -2.144   4.232   2.650
  194   1HB   SER  30          2HB       SER  30  -1.838   7.184   2.788
  195   2HB   SER  30          1HB       SER  30  -3.064   6.210   1.968
  196    HG   SER  30           HG       SER  30  -3.588   5.651   4.342
  197    H    TYR  31           H        TYR  31  -0.596   3.607   1.358
  198    HA   TYR  31           HA       TYR  31   1.867   5.219   1.166
  199   1HB   TYR  31          2HB       TYR  31   1.589   2.214   1.344
  200   2HB   TYR  31          1HB       TYR  31   3.063   3.016   0.816
  201    HD1  TYR  31           1HD      TYR  31   1.969   1.278   3.412
  202    HD2  TYR  31           2HD      TYR  31   3.393   5.211   2.649
  203    HE1  TYR  31           1HE      TYR  31   2.707   1.456   5.751
  204    HE2  TYR  31           2HE      TYR  31   4.134   5.399   4.984
  205    HH   TYR  31           HH       TYR  31   4.717   3.052   6.920
  206    H    HIS  32           H        HIS  32   3.113   3.664  -0.757
  207    HA   HIS  32           HA       HIS  32   1.222   3.338  -2.964
  208   1HB   HIS  32          2HB       HIS  32   3.758   4.957  -3.037
  209   2HB   HIS  32          1HB       HIS  32   3.184   4.145  -4.483
  210    HD2  HIS  32           2HD      HIS  32   0.426   4.968  -5.134
  211    HE1  HIS  32           1HE      HIS  32   1.128   8.794  -3.499
  212    HE2  HIS  32           2HE      HIS  32  -0.212   7.483  -5.196
  213    H    ILE  33           H        ILE  33   3.016   2.377  -4.847
  214    HA   ILE  33           HA       ILE  33   3.657  -0.169  -3.683
  215    HB   ILE  33           HB       ILE  33   4.571  -0.608  -6.059
  216   1HG1  ILE  33          2HG1      ILE  33   2.956   1.895  -6.588
  217   1HG2  ILE  33          1HG2      ILE  33   1.941  -0.554  -4.930
  218   2HG2  ILE  33          2HG2      ILE  33   1.860  -0.262  -6.667
  219   3HG2  ILE  33          3HG2      ILE  33   2.651  -1.715  -6.052
  220   1HD1  ILE  33          1HD1      ILE  33   4.050   1.613  -8.882
  221   2HD1  ILE  33          2HD1      ILE  33   4.320  -0.060  -8.393
  222   3HD1  ILE  33          3HD1      ILE  33   2.678   0.579  -8.482
  223    H    HIS  34           H        HIS  34   5.354   2.713  -3.955
  224    HA   HIS  34           HA       HIS  34   7.920   1.289  -3.711
  225   1HB   HIS  34          2HB       HIS  34   8.614   3.805  -4.602
  226   2HB   HIS  34          1HB       HIS  34   8.556   2.347  -5.579
  227    HD2  HIS  34           2HD      HIS  34   5.921   5.164  -4.636
  228    HE1  HIS  34           1HE      HIS  34   5.440   3.953  -8.665
  229    HE2  HIS  34           2HE      HIS  34   4.522   5.430  -6.815
  230    H    CYS  35           H        CYS  35   5.746   3.061  -2.060
  231    HA   CYS  35           HA       CYS  35   7.694   4.655  -0.592
  232   1HB   CYS  35          2HB       CYS  35   4.708   4.681  -0.183
  233   2HB   CYS  35          1HB       CYS  35   5.879   5.970   0.124
  234    H    LEU  36           H        LEU  36   7.349   1.731  -0.464
  235    HA   LEU  36           HA       LEU  36   7.179   1.530   2.461
  236   1HB   LEU  36          2HB       LEU  36   7.098  -1.048   1.160
  237   2HB   LEU  36          1HB       LEU  36   6.013  -0.377   2.361
  238    HG   LEU  36           HG       LEU  36   5.644   0.608  -0.404
  239   1HD1  LEU  36          1HD1      LEU  36   4.152  -1.798  -0.156
  240   2HD1  LEU  36          2HD1      LEU  36   5.329  -1.349  -1.392
  241   3HD1  LEU  36          3HD1      LEU  36   5.861  -2.175   0.073
  242   1HD2  LEU  36          1HD2      LEU  36   4.112   0.162   2.058
  243   2HD2  LEU  36          2HD2      LEU  36   3.947   1.412   0.825
  244   3HD2  LEU  36          3HD2      LEU  36   3.241  -0.183   0.563
  245    H    ASN  37           H        ASN  37   8.446  -1.051   2.492
  246    HA   ASN  37           HA       ASN  37  11.174  -0.230   2.056
  247   1HB   ASN  37          2HB       ASN  37  10.860  -1.439   4.067
  248   2HB   ASN  37          1HB       ASN  37   9.953  -2.706   3.250
  249   1HD2  ASN  37          1HD2      ASN  37  11.085  -4.484   3.428
  250   2HD2  ASN  37          2HD2      ASN  37  12.773  -4.663   3.064
  251    HA   PRO  38           HA       PRO  38  11.098  -3.524  -1.303
  252   1HB   PRO  38          2HB       PRO  38   8.820  -5.139  -1.479
  253   2HB   PRO  38          1HB       PRO  38  10.324  -5.548  -0.654
  254   1HG   PRO  38          2HG       PRO  38   7.804  -5.114   0.539
  255   2HG   PRO  38          1HG       PRO  38   9.352  -5.304   1.370
  256   1HD   PRO  38          2HD       PRO  38   7.849  -2.829   0.688
  257   2HD   PRO  38          1HD       PRO  38   8.920  -3.167   2.068
  258    HA   PRO  39           HA       PRO  39   8.596  -0.898  -3.975
  259   1HB   PRO  39          2HB       PRO  39  10.592  -1.482  -6.024
  260   2HB   PRO  39          1HB       PRO  39  10.230   0.052  -5.232
  261   1HG   PRO  39          2HG       PRO  39  12.532  -1.309  -4.803
  262   2HG   PRO  39          1HG       PRO  39  11.770  -0.295  -3.562
  263   1HD   PRO  39          2HD       PRO  39  11.686  -3.276  -3.893
  264   2HD   PRO  39          1HD       PRO  39  11.890  -2.312  -2.412
  265    H    LEU  40           H        LEU  40   6.793  -1.890  -4.650
  266    HA   LEU  40           HA       LEU  40   6.952  -4.345  -6.222
  267   1HB   LEU  40          2HB       LEU  40   4.306  -3.158  -5.829
  268   2HB   LEU  40          1HB       LEU  40   4.859  -4.792  -5.523
  269    HG   LEU  40           HG       LEU  40   5.665  -2.628  -3.625
  270   1HD1  LEU  40          1HD1      LEU  40   3.543  -3.285  -2.336
  271   2HD1  LEU  40          2HD1      LEU  40   3.390  -2.130  -3.661
  272   3HD1  LEU  40          3HD1      LEU  40   2.927  -3.814  -3.903
  273   1HD2  LEU  40          1HD2      LEU  40   5.194  -4.659  -2.072
  274   2HD2  LEU  40          2HD2      LEU  40   5.262  -5.587  -3.570
  275   3HD2  LEU  40          3HD2      LEU  40   6.655  -4.637  -3.060
  276    HA   PRO  41           HA       PRO  41   6.551  -2.124  -9.989
  277   1HB   PRO  41          2HB       PRO  41   5.949  -4.144 -11.665
  278   2HB   PRO  41          1HB       PRO  41   7.535  -3.996 -10.899
  279   1HG   PRO  41          2HG       PRO  41   5.227  -5.747 -10.159
  280   2HG   PRO  41          1HG       PRO  41   6.958  -6.130 -10.196
  281   1HD   PRO  41          2HD       PRO  41   5.581  -5.513  -7.911
  282   2HD   PRO  41          1HD       PRO  41   7.321  -5.239  -8.118
  283    H    GLU  42           H        GLU  42   3.842  -4.036  -8.865
  284    HA   GLU  42           HA       GLU  42   2.034  -2.243 -10.329
  285   1HB   GLU  42          2HB       GLU  42   2.217  -5.152 -10.547
  286   2HB   GLU  42          1HB       GLU  42   0.603  -4.601 -10.123
  287   1HG   GLU  42          2HG       GLU  42   2.118  -3.405 -12.410
  288   2HG   GLU  42          1HG       GLU  42   1.178  -4.883 -12.593
  289    H    ILE  43           H        ILE  43  -0.142  -2.170  -9.362
  290    HA   ILE  43           HA       ILE  43   0.085  -2.119  -6.466
  291    HB   ILE  43           HB       ILE  43  -2.186  -1.048  -6.558
  292   1HG1  ILE  43          2HG1      ILE  43  -1.939  -0.331  -9.380
  293   1HG2  ILE  43          1HG2      ILE  43   0.336   0.028  -7.561
  294   2HG2  ILE  43          2HG2      ILE  43  -1.083   0.961  -8.037
  295   3HG2  ILE  43          3HG2      ILE  43  -0.761   0.656  -6.330
  296   1HD1  ILE  43          1HD1      ILE  43  -4.208  -1.457  -7.763
  297   2HD1  ILE  43          2HD1      ILE  43  -3.922   0.241  -8.139
  298   3HD1  ILE  43          3HD1      ILE  43  -4.325  -0.891  -9.429
  299    HA   PRO  44           HA       PRO  44  -2.017  -6.064  -6.309
  300   1HB   PRO  44          2HB       PRO  44  -1.722  -5.907  -3.426
  301   2HB   PRO  44          1HB       PRO  44  -0.906  -6.984  -4.562
  302   1HG   PRO  44          2HG       PRO  44   0.370  -4.993  -3.203
  303   2HG   PRO  44          1HG       PRO  44   0.894  -5.576  -4.793
  304   1HD   PRO  44          2HD       PRO  44  -0.692  -3.132  -4.102
  305   2HD   PRO  44          1HD       PRO  44   0.618  -3.330  -5.287
  306    H    ASN  45           H        ASN  45  -3.857  -4.367  -6.850
  307    HA   ASN  45           HA       ASN  45  -5.549  -3.418  -4.816
  308   1HB   ASN  45          2HB       ASN  45  -5.503  -2.909  -7.388
  309   2HB   ASN  45          1HB       ASN  45  -6.641  -4.249  -7.482
  310   1HD2  ASN  45          1HD2      ASN  45  -7.239  -1.614  -8.215
  311   2HD2  ASN  45          2HD2      ASN  45  -8.445  -1.002  -7.130
  312    H    GLY  46           H        GLY  46  -6.803  -4.449  -3.458
  313   1HA   GLY  46          1HA       GLY  46  -8.712  -6.230  -3.588
  314   2HA   GLY  46          2HA       GLY  46  -7.351  -7.291  -3.933
  315    H    GLU  47           H        GLU  47  -5.711  -7.541  -2.329
  316    HA   GLU  47           HA       GLU  47  -6.416  -6.590   0.341
  317   1HB   GLU  47          2HB       GLU  47  -5.808  -8.864   1.250
  318   2HB   GLU  47          1HB       GLU  47  -7.328  -8.778   0.373
  319   1HG   GLU  47          2HG       GLU  47  -5.462  -9.450  -1.563
  320   2HG   GLU  47          1HG       GLU  47  -4.981 -10.376  -0.142
  321    H    TRP  48           H        TRP  48  -4.670  -5.098  -0.001
  322    HA   TRP  48           HA       TRP  48  -2.035  -6.395   0.174
  323   1HB   TRP  48          2HB       TRP  48  -1.952  -4.967  -1.738
  324   2HB   TRP  48          1HB       TRP  48  -2.803  -3.672  -0.900
  325    HD1  TRP  48           HD       TRP  48   0.685  -5.166  -1.333
  326    HE1  TRP  48           1HE      TRP  48   2.396  -3.606  -0.196
  327    HE3  TRP  48           3HE      TRP  48  -2.552  -1.971   0.940
  328    HZ2  TRP  48           2HZ      TRP  48   2.354  -1.320   1.484
  329    HZ3  TRP  48           3HZ      TRP  48  -1.669  -0.143   2.285
  330    HH2  TRP  48           HH       TRP  48   0.738   0.198   2.555
  331    H    LEU  49           H        LEU  49  -0.640  -5.629   1.830
  332    HA   LEU  49           HA       LEU  49  -1.920  -4.024   3.928
  333   1HB   LEU  49          2HB       LEU  49  -0.253  -6.421   4.623
  334   2HB   LEU  49          1HB       LEU  49  -1.443  -5.587   5.602
  335    HG   LEU  49           HG       LEU  49  -2.310  -7.089   3.154
  336   1HD1  LEU  49          1HD1      LEU  49  -0.862  -8.403   4.989
  337   2HD1  LEU  49          2HD1      LEU  49  -2.457  -8.493   5.737
  338   3HD1  LEU  49          3HD1      LEU  49  -2.208  -9.124   4.108
  339   1HD2  LEU  49          1HD2      LEU  49  -4.211  -6.180   3.878
  340   2HD2  LEU  49          2HD2      LEU  49  -4.159  -7.427   5.125
  341   3HD2  LEU  49          3HD2      LEU  49  -3.540  -5.811   5.468
  342    H    CYS  50           H        CYS  50  -0.422  -2.832   5.233
  343    HA   CYS  50           HA       CYS  50   1.759  -1.756   3.962
  344   1HB   CYS  50          2HB       CYS  50   1.996  -1.900   6.924
  345   2HB   CYS  50          1HB       CYS  50   2.159  -0.518   5.853
  346    HA   PRO  51           HA       PRO  51   5.178  -4.466   4.122
  347   1HB   PRO  51          2HB       PRO  51   7.262  -2.932   4.998
  348   2HB   PRO  51          1HB       PRO  51   6.566  -2.816   3.378
  349   1HG   PRO  51          2HG       PRO  51   6.045  -1.117   5.789
  350   2HG   PRO  51          1HG       PRO  51   6.301  -0.622   4.104
  351   1HD   PRO  51          2HD       PRO  51   3.846  -0.744   5.170
  352   2HD   PRO  51          1HD       PRO  51   4.144  -1.196   3.478
  353    H    ARG  52           H        ARG  52   3.604  -4.545   6.548
  354    HA   ARG  52           HA       ARG  52   5.591  -5.842   8.238
  355   1HB   ARG  52          2HB       ARG  52   3.881  -3.537   9.126
  356   2HB   ARG  52          1HB       ARG  52   4.325  -4.789  10.276
  357   1HG   ARG  52          2HG       ARG  52   6.267  -3.794  10.613
  358   2HG   ARG  52          1HG       ARG  52   6.670  -4.012   8.909
  359   1HD   ARG  52          2HD       ARG  52   6.781  -1.643   9.691
  360   2HD   ARG  52          1HD       ARG  52   5.690  -1.908   8.332
  361    HE   ARG  52           HE       ARG  52   3.927  -1.289   9.654
  362   1HH1  ARG  52          2HH1      ARG  52   6.724  -1.889  11.701
  363   2HH1  ARG  52          1HH1      ARG  52   5.943  -1.294  13.137
  364   1HH2  ARG  52          2HH2      ARG  52   2.939  -0.463  11.523
  365   2HH2  ARG  52          1HH2      ARG  52   3.796  -0.452  13.035
  366    H    CYS  53           H        CYS  53   2.238  -4.958   7.788
  367    HA   CYS  53           HA       CYS  53   1.081  -7.187   9.136
  368   1HB   CYS  53          2HB       CYS  53  -0.627  -5.939   7.187
  369   2HB   CYS  53          1HB       CYS  53  -0.648  -5.751   8.948
  370    H    THR  54           H        THR  54   2.738  -6.928   6.317
  371    HA   THR  54           HA       THR  54   1.236  -8.278   4.405
  372    HB   THR  54           HB       THR  54   3.970  -8.757   3.890
  373    HG1  THR  54           1HG      THR  54   3.625  -6.064   4.690
  374   1HG2  THR  54          1HG2      THR  54   2.620  -6.280   2.964
  375   2HG2  THR  54          2HG2      THR  54   1.894  -7.830   2.533
  376   3HG2  THR  54          3HG2      THR  54   3.551  -7.465   2.048
  377    H    CYS  55           H        CYS  55   0.417 -10.010   5.818
  378    HA   CYS  55           HA       CYS  55   1.539 -12.499   5.132
  379   1HB   CYS  55          2HB       CYS  55   2.720 -11.343   7.406
  380   2HB   CYS  55          1HB       CYS  55   1.589 -12.543   8.031
  381    HG   CYS  55           HG       CYS  55   4.537 -13.176   7.355
  382    HA   PRO  56           HA       PRO  56  -2.795 -13.233   5.742
  383   1HB   PRO  56          2HB       PRO  56  -2.008 -16.092   5.850
  384   2HB   PRO  56          1HB       PRO  56  -3.142 -15.275   4.769
  385   1HG   PRO  56          2HG       PRO  56  -0.761 -16.075   3.888
  386   2HG   PRO  56          1HG       PRO  56  -1.466 -14.537   3.349
  387   1HD   PRO  56          2HD       PRO  56   0.683 -15.027   5.381
  388   2HD   PRO  56          1HD       PRO  56   0.569 -13.760   4.141
  389    H    ALA  57           H        ALA  57  -0.365 -14.803   7.687
  390    HA   ALA  57           HA       ALA  57  -1.964 -14.290  10.049
  391   1HB   ALA  57          1HB       ALA  57  -0.896 -17.013   9.337
  392   2HB   ALA  57          2HB       ALA  57  -1.259 -16.540  10.996
  393   3HB   ALA  57          3HB       ALA  57  -2.542 -16.564   9.787
  394    H    LEU  58           H        LEU  58  -0.625 -14.054  11.947
  395    HA   LEU  58           HA       LEU  58   1.941 -12.957  11.361
  396   1HB   LEU  58          2HB       LEU  58   0.611 -13.622  13.990
  397   2HB   LEU  58          1HB       LEU  58   2.142 -12.778  13.853
  398    HG   LEU  58           HG       LEU  58  -0.544 -11.796  12.884
  399   1HD1  LEU  58          1HD1      LEU  58   0.054  -9.938  14.528
  400   2HD1  LEU  58          2HD1      LEU  58  -0.457 -11.485  15.201
  401   3HD1  LEU  58          3HD1      LEU  58   1.255 -11.059  15.169
  402   1HD2  LEU  58          1HD2      LEU  58   2.086 -11.137  11.976
  403   2HD2  LEU  58          2HD2      LEU  58   0.534 -10.476  11.462
  404   3HD2  LEU  58          3HD2      LEU  58   1.394  -9.751  12.820
  405    H    LYS  59           H        LYS  59   0.764 -15.996  12.598
  406    HA   LYS  59           HA       LYS  59   3.515 -17.044  12.468
  407   1HB   LYS  59          2HB       LYS  59   2.257 -16.899  14.776
  408   2HB   LYS  59          1HB       LYS  59   1.431 -18.333  14.186
  409   1HG   LYS  59          2HG       LYS  59   3.609 -19.443  13.901
  410   2HG   LYS  59          1HG       LYS  59   4.398 -18.012  14.568
  411   1HD   LYS  59          2HD       LYS  59   4.203 -19.526  16.366
  412   2HD   LYS  59          1HD       LYS  59   2.931 -18.326  16.610
  413   1HE   LYS  59          2HE       LYS  59   1.633 -20.173  15.104
  414   2HE   LYS  59          1HE       LYS  59   2.738 -21.198  16.021
  415   1HZ   LYS  59          1HZ       LYS  59   0.805 -19.242  17.157
  416   2HZ   LYS  59          2HZ       LYS  59   1.891 -20.178  18.063
  417   3HZ   LYS  59          3HZ       LYS  59   0.651 -20.933  17.184
  418    H    GLY  60           H        GLY  60   2.358 -17.089  10.134
  419   1HA   GLY  60          1HA       GLY  60   2.391 -19.488   9.061
  420   2HA   GLY  60          2HA       GLY  60   0.818 -19.568   9.842
  421    H    LYS  61           H        LYS  61  -0.162 -19.844   7.787
  422    HA   LYS  61           HA       LYS  61  -0.613 -17.304   6.410
  423   1HB   LYS  61          2HB       LYS  61   0.497 -19.801   5.206
  424   2HB   LYS  61          1HB       LYS  61  -0.638 -18.853   4.253
  425   1HG   LYS  61          2HG       LYS  61   0.987 -17.473   3.669
  426   2HG   LYS  61          1HG       LYS  61   1.281 -17.079   5.363
  427   1HD   LYS  61          2HD       LYS  61   3.014 -18.568   5.550
  428   2HD   LYS  61          1HD       LYS  61   2.370 -19.636   4.301
  429   1HE   LYS  61          2HE       LYS  61   3.879 -18.752   2.928
  430   2HE   LYS  61          1HE       LYS  61   2.902 -17.286   2.952
  431   1HZ   LYS  61          1HZ       LYS  61   4.568 -16.235   3.915
  432   2HZ   LYS  61          2HZ       LYS  61   5.503 -17.650   3.906
  433   3HZ   LYS  61          3HZ       LYS  61   4.516 -17.296   5.237
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -10.832   1.271  -1.750
    2   2H    GLY   1          2H        GLY   1  -9.775   2.519  -2.198
    3   3H    GLY   1          3H        GLY   1 -11.190   2.877  -1.337
    4   1HA   GLY   1          2HA       GLY   1  -9.760   0.986   0.138
    5   2HA   GLY   1          1HA       GLY   1  -8.641   2.254  -0.342
    6    HA   PRO   2           HA       PRO   2 -10.240   4.724   2.959
    7   1HB   PRO   2          2HB       PRO   2  -9.865   7.184   1.453
    8   2HB   PRO   2          1HB       PRO   2  -8.929   6.563   2.815
    9   1HG   PRO   2          2HG       PRO   2  -7.940   6.716   0.285
   10   2HG   PRO   2          1HG       PRO   2  -7.417   5.498   1.463
   11   1HD   PRO   2          2HD       PRO   2  -9.352   5.230  -0.807
   12   2HD   PRO   2          1HD       PRO   2  -8.099   4.099  -0.254
   13    H    LEU   3           H        LEU   3 -12.396   4.398   3.143
   14    HA   LEU   3           HA       LEU   3 -14.279   5.255   1.199
   15   1HB   LEU   3          2HB       LEU   3 -14.682   4.404   4.067
   16   2HB   LEU   3          1HB       LEU   3 -15.967   4.624   2.895
   17    HG   LEU   3           HG       LEU   3 -13.766   2.561   2.752
   18   1HD1  LEU   3          1HD1      LEU   3 -15.105   1.351   4.039
   19   2HD1  LEU   3          2HD1      LEU   3 -16.358   2.592   3.997
   20   3HD1  LEU   3          3HD1      LEU   3 -16.287   1.365   2.730
   21   1HD2  LEU   3          1HD2      LEU   3 -15.727   1.882   0.939
   22   2HD2  LEU   3          2HD2      LEU   3 -15.562   3.626   0.732
   23   3HD2  LEU   3          3HD2      LEU   3 -14.152   2.579   0.559
   24    H    GLY   4           H        GLY   4 -15.183   7.162   0.917
   25   1HA   GLY   4          1HA       GLY   4 -15.849   9.327   1.259
   26   2HA   GLY   4          2HA       GLY   4 -15.941   8.942   2.971
   27    H    SER   5           H        SER   5 -14.917  10.493   4.011
   28    HA   SER   5           HA       SER   5 -12.282  11.346   3.015
   29   1HB   SER   5          2HB       SER   5 -13.457  13.082   5.030
   30   2HB   SER   5          1HB       SER   5 -12.865  13.479   3.415
   31    HG   SER   5           HG       SER   5 -14.863  12.823   2.567
   32    H    ASP   6           H        ASP   6 -13.196   9.082   4.831
   33    HA   ASP   6           HA       ASP   6 -11.434   9.729   7.104
   34   1HB   ASP   6          2HB       ASP   6 -13.986   9.106   7.451
   35   2HB   ASP   6          1HB       ASP   6 -13.382   7.464   7.246
   36    H    HIS   7           H        HIS   7 -11.501   6.820   7.821
   37    HA   HIS   7           HA       HIS   7 -10.269   4.944   7.463
   38   1HB   HIS   7          2HB       HIS   7 -11.602   5.520   5.018
   39   2HB   HIS   7          1HB       HIS   7  -9.989   4.944   4.620
   40    HD2  HIS   7           2HD      HIS   7  -9.792   2.641   6.970
   41    HE1  HIS   7           1HE      HIS   7 -13.231   1.129   5.023
   42    HE2  HIS   7           2HE      HIS   7 -11.468   0.668   6.786
   43    H    HIS   8           H        HIS   8  -8.655   4.822   4.836
   44    HA   HIS   8           HA       HIS   8  -6.171   5.410   6.001
   45   1HB   HIS   8          2HB       HIS   8  -6.839   4.967   3.084
   46   2HB   HIS   8          1HB       HIS   8  -5.232   4.872   3.796
   47    HD2  HIS   8           2HD      HIS   8  -4.562   2.463   4.839
   48    HE1  HIS   8           1HE      HIS   8  -8.407   0.725   4.576
   49    HE2  HIS   8           2HE      HIS   8  -5.954   0.280   5.028
   50    H    MET   9           H        MET   9  -4.756   7.021   5.713
   51    HA   MET   9           HA       MET   9  -5.567   9.616   5.521
   52   1HB   MET   9          2HB       MET   9  -3.060   8.245   5.651
   53   2HB   MET   9          1HB       MET   9  -2.923   9.572   4.505
   54   1HG   MET   9          2HG       MET   9  -2.900  11.093   6.119
   55   2HG   MET   9          1HG       MET   9  -4.291  10.374   6.927
   56   1HE   MET   9          1HE       MET   9  -0.748  10.920   9.049
   57   2HE   MET   9          2HE       MET   9  -1.580  11.832   7.790
   58   3HE   MET   9          3HE       MET   9  -2.428  11.406   9.277
   59    H    GLU  10           H        GLU  10  -5.770  11.161   4.014
   60    HA   GLU  10           HA       GLU  10  -6.577  10.487   1.442
   61   1HB   GLU  10          2HB       GLU  10  -6.523  12.938   1.016
   62   2HB   GLU  10          1HB       GLU  10  -7.347  12.499   2.505
   63   1HG   GLU  10          2HG       GLU  10  -4.463  13.195   2.647
   64   2HG   GLU  10          1HG       GLU  10  -5.629  14.493   2.400
   65    H    PHE  11           H        PHE  11  -3.421  10.966   2.631
   66    HA   PHE  11           HA       PHE  11  -2.372  10.781  -0.097
   67   1HB   PHE  11          2HB       PHE  11  -0.552  12.263   0.380
   68   2HB   PHE  11          1HB       PHE  11  -2.014  13.101   0.872
   69    HD1  PHE  11           1HD      PHE  11  -2.667  12.784   3.414
   70    HD2  PHE  11           2HD      PHE  11   1.233  12.211   1.813
   71    HE1  PHE  11           1HE      PHE  11  -1.701  13.112   5.654
   72    HE2  PHE  11           2HE      PHE  11   2.203  12.538   4.048
   73    HZ   PHE  11           HZ       PHE  11   0.738  12.986   5.973
   74    H    CYS  12           H        CYS  12  -0.307   9.656  -0.201
   75    HA   CYS  12           HA       CYS  12  -0.112   7.596   1.815
   76   1HB   CYS  12          2HB       CYS  12   0.636   6.458   0.046
   77   2HB   CYS  12          1HB       CYS  12   0.731   7.927  -0.912
   78    HG   CYS  12           HG       CYS  12   3.238   8.054  -1.041
   79    H    ARG  13           H        ARG  13   0.918   7.882   3.596
   80    HA   ARG  13           HA       ARG  13   2.264  10.276   4.174
   81   1HB   ARG  13          2HB       ARG  13   2.636   8.055   6.075
   82   2HB   ARG  13          1HB       ARG  13   2.002   9.671   6.337
   83   1HG   ARG  13          2HG       ARG  13  -0.025   8.791   6.487
   84   2HG   ARG  13          1HG       ARG  13   0.084   8.362   4.780
   85   1HD   ARG  13          2HD       ARG  13  -0.471   6.484   6.397
   86   2HD   ARG  13          1HD       ARG  13   0.845   6.192   5.259
   87    HE   ARG  13           HE       ARG  13   2.372   6.260   7.007
   88   1HH1  ARG  13          2HH1      ARG  13  -0.887   6.904   8.135
   89   2HH1  ARG  13          1HH1      ARG  13  -0.456   6.844   9.821
   90   1HH2  ARG  13          2HH2      ARG  13   2.941   6.166   9.216
   91   2HH2  ARG  13          1HH2      ARG  13   1.731   6.439  10.435
   92    H    VAL  14           H        VAL  14   3.773   9.391   2.181
   93    HA   VAL  14           HA       VAL  14   6.365   9.009   3.456
   94    HB   VAL  14           HB       VAL  14   5.901   7.470   0.939
   95   1HG1  VAL  14          1HG1      VAL  14   7.732   7.129   3.307
   96   2HG1  VAL  14          2HG1      VAL  14   7.671   6.042   1.917
   97   3HG1  VAL  14          3HG1      VAL  14   8.164   7.723   1.702
   98   1HG2  VAL  14          1HG2      VAL  14   5.238   6.409   3.681
   99   2HG2  VAL  14          2HG2      VAL  14   4.107   6.669   2.353
  100   3HG2  VAL  14          3HG2      VAL  14   5.365   5.440   2.213
  101    H    CYS  15           H        CYS  15   4.655   9.431   0.368
  102    HA   CYS  15           HA       CYS  15   6.844  11.135  -0.553
  103   1HB   CYS  15          2HB       CYS  15   6.083  10.710  -2.785
  104   2HB   CYS  15          1HB       CYS  15   6.129   9.171  -1.939
  105    H    LYS  16           H        LYS  16   3.790  11.330   0.762
  106    HA   LYS  16           HA       LYS  16   2.445  13.074   1.277
  107   1HB   LYS  16          2HB       LYS  16   4.640  14.558  -0.092
  108   2HB   LYS  16          1HB       LYS  16   3.111  15.382   0.184
  109   1HG   LYS  16          2HG       LYS  16   4.289  13.959   2.489
  110   2HG   LYS  16          1HG       LYS  16   5.123  15.412   1.931
  111   1HD   LYS  16          2HD       LYS  16   2.382  16.036   1.957
  112   2HD   LYS  16          1HD       LYS  16   2.709  15.184   3.468
  113   1HE   LYS  16          2HE       LYS  16   4.712  17.196   2.714
  114   2HE   LYS  16          1HE       LYS  16   3.110  17.840   3.073
  115   1HZ   LYS  16          1HZ       LYS  16   3.300  17.347   5.238
  116   2HZ   LYS  16          2HZ       LYS  16   4.966  17.340   4.923
  117   3HZ   LYS  16          3HZ       LYS  16   4.106  15.878   4.963
  118    H    ASP  17           H        ASP  17   2.888  11.730  -1.662
  119    HA   ASP  17           HA       ASP  17   0.793  13.295  -2.971
  120   1HB   ASP  17          2HB       ASP  17   2.414  12.912  -4.577
  121   2HB   ASP  17          1HB       ASP  17   2.827  11.328  -3.933
  122    H    GLY  18           H        GLY  18  -1.200  12.544  -3.346
  123   1HA   GLY  18          1HA       GLY  18  -1.802   9.792  -2.473
  124   2HA   GLY  18          2HA       GLY  18  -2.773  11.161  -1.929
  125    H    GLY  19           H        GLY  19  -1.437  10.906  -5.170
  126   1HA   GLY  19          1HA       GLY  19  -3.851  11.411  -6.483
  127   2HA   GLY  19          2HA       GLY  19  -2.446  10.667  -7.230
  128    H    GLU  20           H        GLU  20  -2.125   8.346  -6.589
  129    HA   GLU  20           HA       GLU  20  -4.705   6.953  -6.292
  130   1HB   GLU  20          2HB       GLU  20  -2.440   6.368  -8.000
  131   2HB   GLU  20          1HB       GLU  20  -2.706   5.051  -6.867
  132   1HG   GLU  20          2HG       GLU  20  -4.699   6.189  -8.812
  133   2HG   GLU  20          1HG       GLU  20  -3.895   4.625  -8.911
  134    H    LEU  21           H        LEU  21  -4.286   4.869  -4.877
  135    HA   LEU  21           HA       LEU  21  -2.162   5.191  -2.965
  136   1HB   LEU  21          2HB       LEU  21  -4.905   6.126  -2.390
  137   2HB   LEU  21          1HB       LEU  21  -4.106   5.208  -1.121
  138    HG   LEU  21           HG       LEU  21  -2.678   7.475  -2.435
  139   1HD1  LEU  21          1HD1      LEU  21  -4.693   8.543  -1.823
  140   2HD1  LEU  21          2HD1      LEU  21  -4.751   7.696  -0.276
  141   3HD1  LEU  21          3HD1      LEU  21  -3.508   8.915  -0.567
  142   1HD2  LEU  21          1HD2      LEU  21  -1.146   6.927  -0.946
  143   2HD2  LEU  21          2HD2      LEU  21  -2.285   7.278   0.355
  144   3HD2  LEU  21          3HD2      LEU  21  -2.191   5.651  -0.321
  145    H    LEU  22           H        LEU  22  -1.592   3.414  -2.071
  146    HA   LEU  22           HA       LEU  22  -3.216   0.996  -2.366
  147   1HB   LEU  22          2HB       LEU  22  -0.457   1.516  -2.415
  148   2HB   LEU  22          1HB       LEU  22  -0.737   0.684  -0.899
  149    HG   LEU  22           HG       LEU  22  -1.522  -1.259  -1.980
  150   1HD1  LEU  22          1HD1      LEU  22  -2.199   0.601  -4.112
  151   2HD1  LEU  22          2HD1      LEU  22  -1.453  -0.884  -4.705
  152   3HD1  LEU  22          3HD1      LEU  22  -2.905  -0.964  -3.705
  153   1HD2  LEU  22          1HD2      LEU  22   0.486  -1.905  -2.684
  154   2HD2  LEU  22          2HD2      LEU  22   0.448  -0.790  -4.051
  155   3HD2  LEU  22          3HD2      LEU  22   0.995  -0.230  -2.470
  156    H    CYS  23           H        CYS  23  -4.463   0.333  -0.726
  157    HA   CYS  23           HA       CYS  23  -4.019   1.575   1.905
  158   1HB   CYS  23          2HB       CYS  23  -6.688   0.510   1.113
  159   2HB   CYS  23          1HB       CYS  23  -6.286   1.877   2.150
  160    HG   CYS  23           HG       CYS  23  -5.230   2.574  -0.861
  161    H    CYS  24           H        CYS  24  -3.816   0.314   3.655
  162    HA   CYS  24           HA       CYS  24  -3.479  -2.489   3.348
  163   1HB   CYS  24          2HB       CYS  24  -2.177  -1.165   4.958
  164   2HB   CYS  24          1HB       CYS  24  -3.645  -0.799   5.854
  165    H    ASP  25           H        ASP  25  -4.631  -4.144   4.403
  166    HA   ASP  25           HA       ASP  25  -7.498  -3.586   4.696
  167   1HB   ASP  25          2HB       ASP  25  -6.644  -5.426   3.155
  168   2HB   ASP  25          1HB       ASP  25  -6.166  -6.297   4.607
  169    H    THR  26           H        THR  26  -4.897  -3.534   6.596
  170    HA   THR  26           HA       THR  26  -6.374  -4.612   8.913
  171    HB   THR  26           HB       THR  26  -3.609  -4.558   9.539
  172    HG1  THR  26           1HG      THR  26  -3.429  -4.687   7.146
  173   1HG2  THR  26          1HG2      THR  26  -5.248  -6.996   8.903
  174   2HG2  THR  26          2HG2      THR  26  -5.496  -6.048  10.371
  175   3HG2  THR  26          3HG2      THR  26  -3.942  -6.831  10.074
  176    H    CYS  27           H        CYS  27  -3.777  -2.351   7.989
  177    HA   CYS  27           HA       CYS  27  -4.466  -0.704  10.318
  178   1HB   CYS  27          2HB       CYS  27  -2.127   0.008   8.638
  179   2HB   CYS  27          1HB       CYS  27  -2.298   0.014  10.389
  180    HA   PRO  28           HA       PRO  28  -6.147   2.369   7.588
  181   1HB   PRO  28          2HB       PRO  28  -6.079   4.545   9.145
  182   2HB   PRO  28          1HB       PRO  28  -7.100   3.158   9.547
  183   1HG   PRO  28          2HG       PRO  28  -4.482   3.992  10.709
  184   2HG   PRO  28          1HG       PRO  28  -5.888   3.272  11.509
  185   1HD   PRO  28          2HD       PRO  28  -3.595   1.898  10.712
  186   2HD   PRO  28          1HD       PRO  28  -5.158   1.159  11.105
  187    H    SER  29           H        SER  29  -3.207   1.863   7.406
  188    HA   SER  29           HA       SER  29  -2.168   4.539   6.850
  189   1HB   SER  29          2HB       SER  29  -0.524   2.045   6.620
  190   2HB   SER  29          1HB       SER  29  -0.039   3.666   7.125
  191    HG   SER  29           HG       SER  29  -1.599   3.173   8.967
  192    H    SER  30           H        SER  30  -1.848   5.278   4.853
  193    HA   SER  30           HA       SER  30  -2.377   3.436   2.635
  194   1HB   SER  30          2HB       SER  30  -2.507   6.054   1.669
  195   2HB   SER  30          1HB       SER  30  -3.874   5.012   2.062
  196    HG   SER  30           HG       SER  30  -3.835   7.106   3.142
  197    H    TYR  31           H        TYR  31  -0.798   2.983   1.242
  198    HA   TYR  31           HA       TYR  31   1.578   4.727   1.205
  199   1HB   TYR  31          2HB       TYR  31   1.420   1.707   1.161
  200   2HB   TYR  31          1HB       TYR  31   2.895   2.607   0.823
  201    HD1  TYR  31           1HD      TYR  31   1.232   0.848   3.279
  202    HD2  TYR  31           2HD      TYR  31   3.370   4.485   2.740
  203    HE1  TYR  31           1HE      TYR  31   1.723   0.909   5.684
  204    HE2  TYR  31           2HE      TYR  31   3.870   4.554   5.146
  205    HH   TYR  31           HH       TYR  31   2.574   2.089   7.361
  206    H    HIS  32           H        HIS  32   2.927   3.249  -0.775
  207    HA   HIS  32           HA       HIS  32   1.158   3.245  -3.100
  208   1HB   HIS  32          2HB       HIS  32   3.559   4.975  -2.713
  209   2HB   HIS  32          1HB       HIS  32   3.350   4.236  -4.295
  210    HD2  HIS  32           2HD      HIS  32   0.399   4.721  -5.084
  211    HE1  HIS  32           1HE      HIS  32   0.867   8.688  -3.674
  212    HE2  HIS  32           2HE      HIS  32  -0.664   7.083  -4.894
  213    H    ILE  33           H        ILE  33   3.678   2.852  -4.760
  214    HA   ILE  33           HA       ILE  33   4.270   0.128  -3.811
  215    HB   ILE  33           HB       ILE  33   4.844  -0.460  -6.132
  216   1HG1  ILE  33          2HG1      ILE  33   3.561   2.142  -6.972
  217   1HG2  ILE  33          1HG2      ILE  33   2.588  -0.835  -5.153
  218   2HG2  ILE  33          2HG2      ILE  33   2.058   0.663  -5.917
  219   3HG2  ILE  33          3HG2      ILE  33   2.593  -0.690  -6.911
  220   1HD1  ILE  33          1HD1      ILE  33   3.524   0.429  -8.670
  221   2HD1  ILE  33          2HD1      ILE  33   4.688   1.684  -9.104
  222   3HD1  ILE  33          3HD1      ILE  33   5.253   0.140  -8.456
  223    H    HIS  34           H        HIS  34   5.587   3.191  -4.619
  224    HA   HIS  34           HA       HIS  34   8.306   2.109  -4.297
  225   1HB   HIS  34          2HB       HIS  34   8.904   4.368  -5.523
  226   2HB   HIS  34          1HB       HIS  34   8.435   2.943  -6.439
  227    HD2  HIS  34           2HD      HIS  34   6.086   5.692  -4.822
  228    HE1  HIS  34           1HE      HIS  34   5.276   5.287  -8.956
  229    HE2  HIS  34           2HE      HIS  34   4.474   6.288  -6.772
  230    H    CYS  35           H        CYS  35   6.293   3.155  -2.333
  231    HA   CYS  35           HA       CYS  35   7.949   5.292  -1.175
  232   1HB   CYS  35          2HB       CYS  35   4.990   4.886  -0.710
  233   2HB   CYS  35          1HB       CYS  35   5.969   6.261  -0.216
  234    H    LEU  36           H        LEU  36   8.067   2.329  -0.882
  235    HA   LEU  36           HA       LEU  36   7.990   2.297   2.039
  236   1HB   LEU  36          2HB       LEU  36   7.376  -0.316   1.414
  237   2HB   LEU  36          1HB       LEU  36   6.265   0.876   2.054
  238    HG   LEU  36           HG       LEU  36   6.612   0.663  -0.912
  239   1HD1  LEU  36          1HD1      LEU  36   5.957  -1.552   0.613
  240   2HD1  LEU  36          2HD1      LEU  36   4.398  -0.890   0.111
  241   3HD1  LEU  36          3HD1      LEU  36   5.612  -1.316  -1.102
  242   1HD2  LEU  36          1HD2      LEU  36   4.679   1.815  -1.010
  243   2HD2  LEU  36          2HD2      LEU  36   3.995   0.996   0.399
  244   3HD2  LEU  36          3HD2      LEU  36   5.148   2.317   0.618
  245    H    ASN  37           H        ASN  37   8.946  -0.275   2.436
  246    HA   ASN  37           HA       ASN  37  11.672   0.079   1.612
  247   1HB   ASN  37          2HB       ASN  37  11.408  -0.758   3.813
  248   2HB   ASN  37          1HB       ASN  37  10.296  -2.016   3.286
  249   1HD2  ASN  37          1HD2      ASN  37  11.180  -3.943   3.427
  250   2HD2  ASN  37          2HD2      ASN  37  12.830  -4.335   3.063
  251    HA   PRO  38           HA       PRO  38  10.923  -3.693  -1.149
  252   1HB   PRO  38          2HB       PRO  38   8.593  -5.012  -1.178
  253   2HB   PRO  38          1HB       PRO  38   9.803  -5.311   0.075
  254   1HG   PRO  38          2HG       PRO  38   7.264  -3.771   0.222
  255   2HG   PRO  38          1HG       PRO  38   8.057  -4.753   1.465
  256   1HD   PRO  38          2HD       PRO  38   8.156  -1.961   1.226
  257   2HD   PRO  38          1HD       PRO  38   9.194  -2.966   2.252
  258    HA   PRO  39           HA       PRO  39   8.849  -0.734  -3.888
  259   1HB   PRO  39          2HB       PRO  39  10.437  -1.193  -6.045
  260   2HB   PRO  39          1HB       PRO  39  10.918  -0.148  -4.702
  261   1HG   PRO  39          2HG       PRO  39  11.670  -2.988  -5.260
  262   2HG   PRO  39          1HG       PRO  39  12.681  -1.655  -4.672
  263   1HD   PRO  39          2HD       PRO  39  11.673  -3.573  -3.037
  264   2HD   PRO  39          1HD       PRO  39  11.974  -1.910  -2.501
  265    H    LEU  40           H        LEU  40   6.893  -1.690  -4.231
  266    HA   LEU  40           HA       LEU  40   6.574  -4.206  -5.536
  267   1HB   LEU  40          2HB       LEU  40   4.526  -2.019  -5.164
  268   2HB   LEU  40          1HB       LEU  40   4.198  -3.704  -5.516
  269    HG   LEU  40           HG       LEU  40   5.620  -2.888  -3.000
  270   1HD1  LEU  40          1HD1      LEU  40   3.751  -1.779  -2.434
  271   2HD1  LEU  40          2HD1      LEU  40   2.790  -2.544  -3.701
  272   3HD1  LEU  40          3HD1      LEU  40   3.086  -3.394  -2.184
  273   1HD2  LEU  40          1HD2      LEU  40   4.198  -5.327  -3.998
  274   2HD2  LEU  40          2HD2      LEU  40   5.824  -5.178  -3.328
  275   3HD2  LEU  40          3HD2      LEU  40   4.419  -5.039  -2.271
  276    HA   PRO  41           HA       PRO  41   7.075  -2.604  -9.636
  277   1HB   PRO  41          2HB       PRO  41   6.569  -4.907 -10.988
  278   2HB   PRO  41          1HB       PRO  41   8.087  -4.607 -10.135
  279   1HG   PRO  41          2HG       PRO  41   5.730  -6.236  -9.300
  280   2HG   PRO  41          1HG       PRO  41   7.458  -6.555  -9.068
  281   1HD   PRO  41          2HD       PRO  41   5.810  -5.562  -7.115
  282   2HD   PRO  41          1HD       PRO  41   7.561  -5.283  -7.171
  283    H    GLU  42           H        GLU  42   4.210  -4.126  -8.450
  284    HA   GLU  42           HA       GLU  42   2.623  -2.512 -10.284
  285   1HB   GLU  42          2HB       GLU  42   2.759  -5.398 -10.386
  286   2HB   GLU  42          1HB       GLU  42   1.138  -4.875  -9.956
  287   1HG   GLU  42          2HG       GLU  42   2.700  -4.254 -12.437
  288   2HG   GLU  42          1HG       GLU  42   1.139  -5.058 -12.288
  289    H    ILE  43           H        ILE  43   0.333  -2.348  -9.486
  290    HA   ILE  43           HA       ILE  43   0.448  -2.040  -6.597
  291    HB   ILE  43           HB       ILE  43  -1.655  -0.773  -6.823
  292   1HG1  ILE  43          2HG1      ILE  43  -1.605  -0.437  -9.696
  293   1HG2  ILE  43          1HG2      ILE  43  -0.652   1.034  -8.386
  294   2HG2  ILE  43          2HG2      ILE  43   0.194   0.604  -6.900
  295   3HG2  ILE  43          3HG2      ILE  43   0.744  -0.043  -8.446
  296   1HD1  ILE  43          1HD1      ILE  43  -3.945  -1.711  -8.486
  297   2HD1  ILE  43          2HD1      ILE  43  -3.471  -0.180  -7.751
  298   3HD1  ILE  43          3HD1      ILE  43  -3.820  -0.258  -9.477
  299    HA   PRO  44           HA       PRO  44  -1.818  -5.882  -6.078
  300   1HB   PRO  44          2HB       PRO  44  -1.652  -5.124  -3.235
  301   2HB   PRO  44          1HB       PRO  44  -1.048  -6.574  -4.043
  302   1HG   PRO  44          2HG       PRO  44   0.613  -4.674  -3.138
  303   2HG   PRO  44          1HG       PRO  44   0.951  -5.569  -4.633
  304   1HD   PRO  44          2HD       PRO  44  -0.177  -2.815  -4.285
  305   2HD   PRO  44          1HD       PRO  44   1.041  -3.397  -5.441
  306    H    ASN  45           H        ASN  45  -3.776  -5.149  -6.922
  307    HA   ASN  45           HA       ASN  45  -5.384  -3.267  -5.456
  308   1HB   ASN  45          2HB       ASN  45  -5.192  -3.799  -8.088
  309   2HB   ASN  45          1HB       ASN  45  -6.594  -4.791  -7.695
  310   1HD2  ASN  45          1HD2      ASN  45  -6.955  -2.771  -9.415
  311   2HD2  ASN  45          2HD2      ASN  45  -7.823  -1.464  -8.669
  312    H    GLY  46           H        GLY  46  -6.382  -3.899  -3.680
  313   1HA   GLY  46          1HA       GLY  46  -8.560  -5.261  -3.271
  314   2HA   GLY  46          2HA       GLY  46  -7.474  -6.618  -3.544
  315    H    GLU  47           H        GLU  47  -7.210  -7.543  -1.620
  316    HA   GLU  47           HA       GLU  47  -6.964  -5.933   0.783
  317   1HB   GLU  47          2HB       GLU  47  -6.935  -8.912   0.304
  318   2HB   GLU  47          1HB       GLU  47  -6.713  -8.187   1.890
  319   1HG   GLU  47          2HG       GLU  47  -8.885  -7.802   2.146
  320   2HG   GLU  47          1HG       GLU  47  -9.072  -7.210   0.496
  321    H    TRP  48           H        TRP  48  -4.967  -4.881  -0.055
  322    HA   TRP  48           HA       TRP  48  -2.586  -6.549   0.325
  323   1HB   TRP  48          2HB       TRP  48  -2.278  -5.274  -1.647
  324   2HB   TRP  48          1HB       TRP  48  -3.026  -3.846  -0.946
  325    HD1  TRP  48           HD       TRP  48   0.325  -5.662  -1.167
  326    HE1  TRP  48           1HE      TRP  48   2.162  -4.136  -0.191
  327    HE3  TRP  48           3HE      TRP  48  -2.638  -1.980   0.738
  328    HZ2  TRP  48           2HZ      TRP  48   2.318  -1.685   1.231
  329    HZ3  TRP  48           3HZ      TRP  48  -1.597  -0.092   1.885
  330    HH2  TRP  48           HH       TRP  48   0.837   0.070   2.122
  331    H    LEU  49           H        LEU  49  -1.087  -5.957   1.937
  332    HA   LEU  49           HA       LEU  49  -2.115  -4.071   3.951
  333   1HB   LEU  49          2HB       LEU  49  -0.469  -6.308   4.940
  334   2HB   LEU  49          1HB       LEU  49  -1.889  -5.563   5.647
  335    HG   LEU  49           HG       LEU  49  -2.243  -7.307   3.250
  336   1HD1  LEU  49          1HD1      LEU  49  -2.296  -9.301   4.546
  337   2HD1  LEU  49          2HD1      LEU  49  -0.739  -8.522   4.836
  338   3HD1  LEU  49          3HD1      LEU  49  -2.022  -8.406   6.043
  339   1HD2  LEU  49          1HD2      LEU  49  -4.219  -6.281   3.948
  340   2HD2  LEU  49          2HD2      LEU  49  -4.301  -7.905   4.634
  341   3HD2  LEU  49          3HD2      LEU  49  -3.855  -6.537   5.655
  342    H    CYS  50           H        CYS  50  -0.386  -3.074   5.248
  343    HA   CYS  50           HA       CYS  50   1.794  -2.163   3.766
  344   1HB   CYS  50          2HB       CYS  50   2.142  -2.318   6.722
  345   2HB   CYS  50          1HB       CYS  50   2.409  -0.964   5.636
  346    HA   PRO  51           HA       PRO  51   4.710  -5.453   3.931
  347   1HB   PRO  51          2HB       PRO  51   6.916  -3.587   4.440
  348   2HB   PRO  51          1HB       PRO  51   6.583  -4.559   3.005
  349   1HG   PRO  51          2HG       PRO  51   6.300  -1.879   3.013
  350   2HG   PRO  51          1HG       PRO  51   5.250  -2.936   2.052
  351   1HD   PRO  51          2HD       PRO  51   4.709  -1.609   4.681
  352   2HD   PRO  51          1HD       PRO  51   3.640  -1.798   3.273
  353    H    ARG  52           H        ARG  52   3.493  -4.701   6.479
  354    HA   ARG  52           HA       ARG  52   5.592  -5.687   8.283
  355   1HB   ARG  52          2HB       ARG  52   4.704  -3.036   8.264
  356   2HB   ARG  52          1HB       ARG  52   3.889  -3.786   9.633
  357   1HG   ARG  52          2HG       ARG  52   5.950  -2.841  10.377
  358   2HG   ARG  52          1HG       ARG  52   6.072  -4.602  10.434
  359   1HD   ARG  52          2HD       ARG  52   6.894  -3.548   7.872
  360   2HD   ARG  52          1HD       ARG  52   7.820  -2.851   9.192
  361    HE   ARG  52           HE       ARG  52   7.534  -5.771   8.891
  362   1HH1  ARG  52          2HH1      ARG  52   9.532  -2.916   9.286
  363   2HH1  ARG  52          1HH1      ARG  52  11.023  -3.814   9.324
  364   1HH2  ARG  52          2HH2      ARG  52   9.459  -6.948   9.008
  365   2HH2  ARG  52          1HH2      ARG  52  10.976  -6.127   9.252
  366    H    CYS  53           H        CYS  53   2.161  -4.864   8.003
  367    HA   CYS  53           HA       CYS  53   1.243  -6.352  10.193
  368   1HB   CYS  53          2HB       CYS  53  -0.857  -6.260   8.406
  369   2HB   CYS  53          1HB       CYS  53  -0.426  -4.980   9.552
  370    H    THR  54           H        THR  54   2.413  -7.354   7.195
  371    HA   THR  54           HA       THR  54   0.952  -9.772   6.828
  372    HB   THR  54           HB       THR  54   3.103 -10.305   5.427
  373    HG1  THR  54           1HG      THR  54   3.971  -8.071   4.825
  374   1HG2  THR  54          1HG2      THR  54   2.092  -9.335   3.600
  375   2HG2  THR  54          2HG2      THR  54   1.687  -7.858   4.477
  376   3HG2  THR  54          3HG2      THR  54   0.753  -9.332   4.745
  377    H    CYS  55           H        CYS  55   3.762  -8.801   8.628
  378    HA   CYS  55           HA       CYS  55   3.699 -11.164  10.227
  379   1HB   CYS  55          2HB       CYS  55   5.846 -10.807   8.184
  380   2HB   CYS  55          1HB       CYS  55   6.305 -11.428   9.768
  381    HG   CYS  55           HG       CYS  55   3.928 -12.850   7.764
  382    HA   PRO  56           HA       PRO  56   4.656  -7.154  12.320
  383   1HB   PRO  56          2HB       PRO  56   3.945  -8.999  14.566
  384   2HB   PRO  56          1HB       PRO  56   3.480  -7.313  14.310
  385   1HG   PRO  56          2HG       PRO  56   1.762  -9.283  13.811
  386   2HG   PRO  56          1HG       PRO  56   1.845  -7.857  12.759
  387   1HD   PRO  56          2HD       PRO  56   2.814 -10.628  12.278
  388   2HD   PRO  56          1HD       PRO  56   2.217  -9.421  11.123
  389    H    ALA  57           H        ALA  57   6.676  -6.621  12.825
  390    HA   ALA  57           HA       ALA  57   8.603  -8.717  13.352
  391   1HB   ALA  57          1HB       ALA  57   9.840  -7.380  12.083
  392   2HB   ALA  57          2HB       ALA  57   8.647  -6.086  12.198
  393   3HB   ALA  57          3HB       ALA  57   9.902  -6.240  13.428
  394    H    LEU  58           H        LEU  58   7.933  -9.316  15.468
  395    HA   LEU  58           HA       LEU  58   8.705  -7.356  17.530
  396   1HB   LEU  58          2HB       LEU  58   6.888  -9.544  18.307
  397   2HB   LEU  58          1HB       LEU  58   6.903  -7.863  18.802
  398    HG   LEU  58           HG       LEU  58   6.123  -8.234  16.010
  399   1HD1  LEU  58          1HD1      LEU  58   3.895  -8.968  17.735
  400   2HD1  LEU  58          2HD1      LEU  58   4.397  -9.634  16.181
  401   3HD1  LEU  58          3HD1      LEU  58   5.164 -10.191  17.669
  402   1HD2  LEU  58          1HD2      LEU  58   5.231  -6.697  18.405
  403   2HD2  LEU  58          2HD2      LEU  58   5.727  -6.119  16.813
  404   3HD2  LEU  58          3HD2      LEU  58   4.145  -6.867  17.025
  405    H    LYS  59           H        LYS  59   8.399 -10.850  16.901
  406    HA   LYS  59           HA       LYS  59  10.971 -11.257  18.216
  407   1HB   LYS  59          2HB       LYS  59   8.546 -11.755  19.560
  408   2HB   LYS  59          1HB       LYS  59   9.150 -13.332  19.071
  409   1HG   LYS  59          2HG       LYS  59  10.596 -13.322  20.742
  410   2HG   LYS  59          1HG       LYS  59  11.315 -11.826  20.141
  411   1HD   LYS  59          2HD       LYS  59   8.763 -11.404  21.482
  412   2HD   LYS  59          1HD       LYS  59   9.978 -12.139  22.531
  413   1HE   LYS  59          2HE       LYS  59  11.505 -10.352  22.142
  414   2HE   LYS  59          1HE       LYS  59  10.495  -9.693  20.855
  415   1HZ   LYS  59          1HZ       LYS  59  10.085  -9.598  23.768
  416   2HZ   LYS  59          2HZ       LYS  59   8.746  -9.502  22.729
  417   3HZ   LYS  59          3HZ       LYS  59   9.983  -8.348  22.626
  418    H    GLY  60           H        GLY  60  10.798 -11.389  15.612
  419   1HA   GLY  60          1HA       GLY  60  10.433 -14.244  14.954
  420   2HA   GLY  60          2HA       GLY  60  10.239 -12.934  13.797
  421    H    LYS  61           H        LYS  61  12.384 -11.424  14.000
  422    HA   LYS  61           HA       LYS  61  14.749 -13.150  13.955
  423   1HB   LYS  61          2HB       LYS  61  13.828 -11.380  11.688
  424   2HB   LYS  61          1HB       LYS  61  15.487 -11.939  11.842
  425   1HG   LYS  61          2HG       LYS  61  13.152 -13.823  11.740
  426   2HG   LYS  61          1HG       LYS  61  13.980 -13.248  10.292
  427   1HD   LYS  61          2HD       LYS  61  16.120 -14.099  11.336
  428   2HD   LYS  61          1HD       LYS  61  15.111 -14.888  12.551
  429   1HE   LYS  61          2HE       LYS  61  14.508 -15.328   9.664
  430   2HE   LYS  61          1HE       LYS  61  15.883 -16.166  10.382
  431   1HZ   LYS  61          1HZ       LYS  61  13.967 -17.552  10.538
  432   2HZ   LYS  61          2HZ       LYS  61  13.050 -16.322  11.249
  433   3HZ   LYS  61          3HZ       LYS  61  14.346 -17.014  12.103
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -13.518  -0.074  14.487
    2   2H    GLY   1          2H        GLY   1 -14.558  -0.240  13.159
    3   3H    GLY   1          3H        GLY   1 -13.000  -0.912  13.104
    4   1HA   GLY   1          2HA       GLY   1 -13.926  -2.126  15.275
    5   2HA   GLY   1          1HA       GLY   1 -15.421  -1.912  14.372
    6    HA   PRO   2           HA       PRO   2 -13.754  -5.779  12.630
    7   1HB   PRO   2          2HB       PRO   2 -16.136  -6.820  11.930
    8   2HB   PRO   2          1HB       PRO   2 -15.549  -6.870  13.598
    9   1HG   PRO   2          2HG       PRO   2 -17.514  -4.997  12.335
   10   2HG   PRO   2          1HG       PRO   2 -17.587  -5.797  13.916
   11   1HD   PRO   2          2HD       PRO   2 -16.796  -3.207  13.578
   12   2HD   PRO   2          1HD       PRO   2 -16.230  -4.237  14.908
   13    H    LEU   3           H        LEU   3 -13.358  -6.330  10.525
   14    HA   LEU   3           HA       LEU   3 -13.062  -6.005   8.291
   15   1HB   LEU   3          2HB       LEU   3 -15.762  -6.426   8.714
   16   2HB   LEU   3          1HB       LEU   3 -15.737  -4.978   7.726
   17    HG   LEU   3           HG       LEU   3 -13.969  -6.657   6.421
   18   1HD1  LEU   3          1HD1      LEU   3 -15.616  -8.672   6.136
   19   2HD1  LEU   3          2HD1      LEU   3 -14.435  -8.658   7.446
   20   3HD1  LEU   3          3HD1      LEU   3 -16.115  -8.226   7.770
   21   1HD2  LEU   3          1HD2      LEU   3 -16.896  -6.545   5.776
   22   2HD2  LEU   3          2HD2      LEU   3 -15.860  -5.128   5.608
   23   3HD2  LEU   3          3HD2      LEU   3 -15.517  -6.585   4.674
   24    H    GLY   4           H        GLY   4 -12.185  -3.921   9.800
   25   1HA   GLY   4          1HA       GLY   4 -13.193  -1.494   8.485
   26   2HA   GLY   4          2HA       GLY   4 -12.299  -1.547   9.997
   27    H    SER   5           H        SER   5 -12.108  -1.529   6.545
   28    HA   SER   5           HA       SER   5  -9.179  -1.253   6.730
   29   1HB   SER   5          2HB       SER   5 -10.459  -1.747   4.096
   30   2HB   SER   5          1HB       SER   5  -8.936  -2.354   4.742
   31    HG   SER   5           HG       SER   5 -10.187  -4.101   4.762
   32    H    ASP   6           H        ASP   6 -12.026   0.410   6.320
   33    HA   ASP   6           HA       ASP   6 -10.981   2.377   4.449
   34   1HB   ASP   6          2HB       ASP   6 -13.386   1.677   4.391
   35   2HB   ASP   6          1HB       ASP   6 -13.595   2.440   5.966
   36    H    HIS   7           H        HIS   7  -9.203   2.919   5.825
   37    HA   HIS   7           HA       HIS   7  -9.866   5.034   7.730
   38   1HB   HIS   7          2HB       HIS   7  -8.095   4.021   9.298
   39   2HB   HIS   7          1HB       HIS   7  -9.670   3.237   9.256
   40    HD2  HIS   7           2HD      HIS   7  -6.979   2.449   6.533
   41    HE1  HIS   7           1HE      HIS   7  -7.519  -0.947   8.986
   42    HE2  HIS   7           2HE      HIS   7  -6.528  -0.088   6.818
   43    H    HIS   8           H        HIS   8  -8.443   4.393   5.034
   44    HA   HIS   8           HA       HIS   8  -5.777   5.342   5.609
   45   1HB   HIS   8          2HB       HIS   8  -7.172   4.224   3.244
   46   2HB   HIS   8          1HB       HIS   8  -5.825   5.320   2.933
   47    HD2  HIS   8           2HD      HIS   8  -6.376   2.047   5.082
   48    HE1  HIS   8           1HE      HIS   8  -2.394   2.251   3.708
   49    HE2  HIS   8           2HE      HIS   8  -4.015   1.019   5.219
   50    H    MET   9           H        MET   9  -4.886   7.219   4.865
   51    HA   MET   9           HA       MET   9  -6.610   9.477   4.969
   52   1HB   MET   9          2HB       MET   9  -3.665   9.060   4.671
   53   2HB   MET   9          1HB       MET   9  -4.338  10.643   4.314
   54   1HG   MET   9          2HG       MET   9  -4.100  11.077   6.474
   55   2HG   MET   9          1HG       MET   9  -5.484  10.015   6.730
   56   1HE   MET   9          1HE       MET   9  -4.324   6.920   8.176
   57   2HE   MET   9          2HE       MET   9  -4.877   8.318   9.099
   58   3HE   MET   9          3HE       MET   9  -5.590   7.960   7.525
   59    H    GLU  10           H        GLU  10  -6.126  11.328   3.316
   60    HA   GLU  10           HA       GLU  10  -6.983  10.313   0.739
   61   1HB   GLU  10          2HB       GLU  10  -7.282  12.719   0.188
   62   2HB   GLU  10          1HB       GLU  10  -8.151  12.225   1.633
   63   1HG   GLU  10          2HG       GLU  10  -5.432  13.428   1.884
   64   2HG   GLU  10          1HG       GLU  10  -6.827  14.463   1.590
   65    H    PHE  11           H        PHE  11  -4.072  10.678   2.113
   66    HA   PHE  11           HA       PHE  11  -2.735  10.909  -0.461
   67   1HB   PHE  11          2HB       PHE  11  -1.153  12.564   0.304
   68   2HB   PHE  11          1HB       PHE  11  -2.775  13.203   0.543
   69    HD1  PHE  11           1HD      PHE  11   0.361  12.474   2.070
   70    HD2  PHE  11           2HD      PHE  11  -3.774  13.026   2.891
   71    HE1  PHE  11           1HE      PHE  11   0.888  12.874   4.440
   72    HE2  PHE  11           2HE      PHE  11  -3.256  13.439   5.258
   73    HZ   PHE  11           HZ       PHE  11  -0.923  13.359   6.038
   74    H    CYS  12           H        CYS  12  -0.600   9.998  -0.449
   75    HA   CYS  12           HA       CYS  12  -0.239   7.972   1.600
   76   1HB   CYS  12          2HB       CYS  12   0.588   6.910  -0.208
   77   2HB   CYS  12          1HB       CYS  12   0.734   8.409  -1.118
   78    HG   CYS  12           HG       CYS  12   3.243   8.647  -0.961
   79    H    ARG  13           H        ARG  13   0.933   8.274   3.339
   80    HA   ARG  13           HA       ARG  13   1.632  10.789   4.151
   81   1HB   ARG  13          2HB       ARG  13   3.155   8.658   5.493
   82   2HB   ARG  13          1HB       ARG  13   2.054   9.854   6.161
   83   1HG   ARG  13          2HG       ARG  13   0.179   8.456   5.163
   84   2HG   ARG  13          1HG       ARG  13   1.399   7.201   4.927
   85   1HD   ARG  13          2HD       ARG  13   1.101   8.498   7.596
   86   2HD   ARG  13          1HD       ARG  13  -0.044   7.253   7.102
   87    HE   ARG  13           HE       ARG  13   2.660   6.418   6.726
   88   1HH1  ARG  13          2HH1      ARG  13   0.204   6.895   9.177
   89   2HH1  ARG  13          1HH1      ARG  13   0.824   5.646  10.223
   90   1HH2  ARG  13          2HH2      ARG  13   3.465   4.762   8.073
   91   2HH2  ARG  13          1HH2      ARG  13   2.711   4.470   9.617
   92    H    VAL  14           H        VAL  14   3.736   8.444   2.596
   93    HA   VAL  14           HA       VAL  14   6.149   9.819   3.295
   94    HB   VAL  14           HB       VAL  14   6.136   7.978   0.958
   95   1HG1  VAL  14          1HG1      VAL  14   8.131   9.068   2.256
   96   2HG1  VAL  14          2HG1      VAL  14   7.869   7.726   3.369
   97   3HG1  VAL  14          3HG1      VAL  14   8.238   7.406   1.674
   98   1HG2  VAL  14          1HG2      VAL  14   6.212   6.109   2.829
   99   2HG2  VAL  14          2HG2      VAL  14   5.146   7.249   3.657
  100   3HG2  VAL  14          3HG2      VAL  14   4.700   6.619   2.071
  101    H    CYS  15           H        CYS  15   4.020   9.772   0.529
  102    HA   CYS  15           HA       CYS  15   5.746  11.436  -1.086
  103   1HB   CYS  15          2HB       CYS  15   2.959  10.338  -1.408
  104   2HB   CYS  15          1HB       CYS  15   3.607  11.528  -2.519
  105    H    LYS  16           H        LYS  16   3.025  11.714   1.024
  106    HA   LYS  16           HA       LYS  16   1.780  13.434   1.840
  107   1HB   LYS  16          2HB       LYS  16   4.168  14.862   0.955
  108   2HB   LYS  16          1HB       LYS  16   2.705  15.811   0.729
  109   1HG   LYS  16          2HG       LYS  16   3.541  16.361   2.865
  110   2HG   LYS  16          1HG       LYS  16   2.145  15.318   3.132
  111   1HD   LYS  16          2HD       LYS  16   3.419  13.570   3.874
  112   2HD   LYS  16          1HD       LYS  16   4.832  14.062   2.939
  113   1HE   LYS  16          2HE       LYS  16   4.406  16.148   4.729
  114   2HE   LYS  16          1HE       LYS  16   4.109  14.686   5.667
  115   1HZ   LYS  16          1HZ       LYS  16   6.517  14.931   3.976
  116   2HZ   LYS  16          2HZ       LYS  16   6.249  13.912   5.300
  117   3HZ   LYS  16          3HZ       LYS  16   6.489  15.574   5.546
  118    H    ASP  17           H        ASP  17   1.874  12.077  -0.816
  119    HA   ASP  17           HA       ASP  17  -0.210  13.619  -2.144
  120   1HB   ASP  17          2HB       ASP  17   1.531  14.248  -3.537
  121   2HB   ASP  17          1HB       ASP  17   2.421  12.754  -3.264
  122    H    GLY  18           H        GLY  18  -1.780  12.378  -3.132
  123   1HA   GLY  18          1HA       GLY  18  -1.739   9.571  -2.292
  124   2HA   GLY  18          2HA       GLY  18  -3.165  10.504  -2.733
  125    H    GLY  19           H        GLY  19  -4.092   9.623  -4.449
  126   1HA   GLY  19          1HA       GLY  19  -4.119   9.323  -6.815
  127   2HA   GLY  19          2HA       GLY  19  -2.393   9.015  -6.770
  128    H    GLU  20           H        GLU  20  -1.757   6.994  -6.909
  129    HA   GLU  20           HA       GLU  20  -3.660   4.815  -6.850
  130   1HB   GLU  20          2HB       GLU  20  -1.180   5.314  -8.064
  131   2HB   GLU  20          1HB       GLU  20  -0.879   4.018  -6.914
  132   1HG   GLU  20          2HG       GLU  20  -2.013   2.517  -8.120
  133   2HG   GLU  20          1HG       GLU  20  -3.298   3.659  -8.518
  134    H    LEU  21           H        LEU  21  -4.026   5.567  -4.462
  135    HA   LEU  21           HA       LEU  21  -1.951   4.967  -2.631
  136   1HB   LEU  21          2HB       LEU  21  -4.720   5.959  -2.452
  137   2HB   LEU  21          1HB       LEU  21  -4.097   5.148  -1.024
  138    HG   LEU  21           HG       LEU  21  -2.507   7.318  -2.349
  139   1HD1  LEU  21          1HD1      LEU  21  -4.655   8.333  -1.957
  140   2HD1  LEU  21          2HD1      LEU  21  -4.698   7.682  -0.317
  141   3HD1  LEU  21          3HD1      LEU  21  -3.498   8.901  -0.752
  142   1HD2  LEU  21          1HD2      LEU  21  -1.176   7.090  -0.585
  143   2HD2  LEU  21          2HD2      LEU  21  -2.533   7.054   0.542
  144   3HD2  LEU  21          3HD2      LEU  21  -2.027   5.577  -0.280
  145    H    LEU  22           H        LEU  22  -1.329   3.177  -1.901
  146    HA   LEU  22           HA       LEU  22  -2.954   0.771  -2.075
  147   1HB   LEU  22          2HB       LEU  22  -0.142   1.407  -1.868
  148   2HB   LEU  22          1HB       LEU  22  -0.598   0.249  -0.633
  149    HG   LEU  22           HG       LEU  22  -1.385  -1.310  -2.278
  150   1HD1  LEU  22          1HD1      LEU  22  -2.416  -0.079  -3.949
  151   2HD1  LEU  22          2HD1      LEU  22  -1.023   0.981  -4.166
  152   3HD1  LEU  22          3HD1      LEU  22  -0.963  -0.682  -4.748
  153   1HD2  LEU  22          1HD2      LEU  22   1.329  -0.207  -2.414
  154   2HD2  LEU  22          2HD2      LEU  22   0.783  -1.869  -2.187
  155   3HD2  LEU  22          3HD2      LEU  22   0.856  -1.180  -3.809
  156    H    CYS  23           H        CYS  23  -3.951  -0.189  -0.380
  157    HA   CYS  23           HA       CYS  23  -3.742   1.209   2.206
  158   1HB   CYS  23          2HB       CYS  23  -6.246   0.147   0.888
  159   2HB   CYS  23          1HB       CYS  23  -6.165   0.998   2.428
  160    HG   CYS  23           HG       CYS  23  -4.949   3.283   0.983
  161    H    CYS  24           H        CYS  24  -3.053  -0.097   3.784
  162    HA   CYS  24           HA       CYS  24  -3.139  -2.920   3.668
  163   1HB   CYS  24          2HB       CYS  24  -1.549  -1.718   5.171
  164   2HB   CYS  24          1HB       CYS  24  -2.907  -1.202   6.157
  165    H    ASP  25           H        ASP  25  -4.639  -4.329   4.369
  166    HA   ASP  25           HA       ASP  25  -7.307  -3.360   4.817
  167   1HB   ASP  25          2HB       ASP  25  -6.540  -5.539   3.596
  168   2HB   ASP  25          1HB       ASP  25  -6.474  -6.221   5.217
  169    H    THR  26           H        THR  26  -4.743  -3.401   6.745
  170    HA   THR  26           HA       THR  26  -6.348  -3.899   9.156
  171    HB   THR  26           HB       THR  26  -3.532  -4.240   9.660
  172    HG1  THR  26           1HG      THR  26  -3.554  -4.913   7.419
  173   1HG2  THR  26          1HG2      THR  26  -6.074  -5.472  10.295
  174   2HG2  THR  26          2HG2      THR  26  -4.570  -5.462  11.215
  175   3HG2  THR  26          3HG2      THR  26  -4.836  -6.685   9.972
  176    H    CYS  27           H        CYS  27  -3.469  -2.233   7.862
  177    HA   CYS  27           HA       CYS  27  -3.671  -0.267  10.030
  178   1HB   CYS  27          2HB       CYS  27  -1.448  -0.485   8.018
  179   2HB   CYS  27          1HB       CYS  27  -1.414   0.281   9.604
  180    HA   PRO  28           HA       PRO  28  -4.859   2.889   7.110
  181   1HB   PRO  28          2HB       PRO  28  -4.663   5.012   8.714
  182   2HB   PRO  28          1HB       PRO  28  -5.853   3.747   9.029
  183   1HG   PRO  28          2HG       PRO  28  -3.306   4.333  10.427
  184   2HG   PRO  28          1HG       PRO  28  -4.799   3.619  11.058
  185   1HD   PRO  28          2HD       PRO  28  -2.440   2.256  10.223
  186   2HD   PRO  28          1HD       PRO  28  -3.980   1.536  10.731
  187    H    SER  29           H        SER  29  -1.995   2.021   7.083
  188    HA   SER  29           HA       SER  29  -0.484   4.491   6.978
  189   1HB   SER  29          2HB       SER  29   0.763   1.996   6.020
  190   2HB   SER  29          1HB       SER  29   1.346   3.166   7.204
  191    HG   SER  29           HG       SER  29   0.112   2.209   8.771
  192    H    SER  30           H        SER  30  -1.551   5.533   5.237
  193    HA   SER  30           HA       SER  30  -1.993   4.423   2.724
  194   1HB   SER  30          2HB       SER  30  -1.588   7.182   2.355
  195   2HB   SER  30          1HB       SER  30  -3.122   6.354   2.640
  196    HG   SER  30           HG       SER  30  -2.191   8.130   4.165
  197    H    TYR  31           H        TYR  31  -0.490   3.571   1.448
  198    HA   TYR  31           HA       TYR  31   2.027   5.059   1.046
  199   1HB   TYR  31          2HB       TYR  31   1.620   2.086   1.405
  200   2HB   TYR  31          1HB       TYR  31   3.100   2.781   0.760
  201    HD1  TYR  31           1HD      TYR  31   2.553   1.086   3.353
  202    HD2  TYR  31           2HD      TYR  31   3.124   5.234   2.606
  203    HE1  TYR  31           1HE      TYR  31   3.390   1.380   5.648
  204    HE2  TYR  31           2HE      TYR  31   3.957   5.538   4.895
  205    HH   TYR  31           HH       TYR  31   4.850   2.979   6.897
  206    H    HIS  32           H        HIS  32   3.224   3.703  -0.878
  207    HA   HIS  32           HA       HIS  32   1.282   3.249  -3.031
  208   1HB   HIS  32          2HB       HIS  32   3.768   4.936  -3.136
  209   2HB   HIS  32          1HB       HIS  32   3.201   4.109  -4.579
  210    HD2  HIS  32           2HD      HIS  32   0.462   4.864  -5.266
  211    HE1  HIS  32           1HE      HIS  32   0.951   8.657  -3.497
  212    HE2  HIS  32           2HE      HIS  32  -0.282   7.345  -5.265
  213    H    ILE  33           H        ILE  33   4.066   2.844  -4.575
  214    HA   ILE  33           HA       ILE  33   4.438   0.123  -3.499
  215    HB   ILE  33           HB       ILE  33   5.235  -0.482  -5.820
  216   1HG1  ILE  33          2HG1      ILE  33   3.742   2.021  -6.631
  217   1HG2  ILE  33          1HG2      ILE  33   2.929  -0.767  -6.672
  218   2HG2  ILE  33          2HG2      ILE  33   3.108  -1.225  -4.976
  219   3HG2  ILE  33          3HG2      ILE  33   2.361   0.315  -5.399
  220   1HD1  ILE  33          1HD1      ILE  33   3.644   0.389  -8.362
  221   2HD1  ILE  33          2HD1      ILE  33   4.838   1.606  -8.817
  222   3HD1  ILE  33          3HD1      ILE  33   5.368   0.039  -8.204
  223    H    HIS  34           H        HIS  34   5.941   3.031  -3.584
  224    HA   HIS  34           HA       HIS  34   8.536   1.726  -3.270
  225   1HB   HIS  34          2HB       HIS  34   9.714   3.076  -4.760
  226   2HB   HIS  34          1HB       HIS  34   8.228   2.746  -5.632
  227    HD2  HIS  34           2HD      HIS  34   6.403   5.169  -4.355
  228    HE1  HIS  34           1HE      HIS  34   9.507   7.608  -5.883
  229    HE2  HIS  34           2HE      HIS  34   7.063   7.533  -5.211
  230    H    CYS  35           H        CYS  35   6.272   3.400  -1.847
  231    HA   CYS  35           HA       CYS  35   7.952   5.333  -0.447
  232   1HB   CYS  35          2HB       CYS  35   5.056   4.892   0.167
  233   2HB   CYS  35          1HB       CYS  35   5.971   6.404   0.099
  234    H    LEU  36           H        LEU  36   7.695   2.247  -0.306
  235    HA   LEU  36           HA       LEU  36   7.852   2.097   2.620
  236   1HB   LEU  36          2HB       LEU  36   7.272  -0.457   2.010
  237   2HB   LEU  36          1HB       LEU  36   6.062   0.728   2.466
  238    HG   LEU  36           HG       LEU  36   6.581   0.719  -0.403
  239   1HD1  LEU  36          1HD1      LEU  36   4.996  -1.539  -0.186
  240   2HD1  LEU  36          2HD1      LEU  36   6.666  -1.473  -0.748
  241   3HD1  LEU  36          3HD1      LEU  36   6.319  -1.827   0.946
  242   1HD2  LEU  36          1HD2      LEU  36   4.435   1.113   1.468
  243   2HD2  LEU  36          2HD2      LEU  36   4.566   1.621  -0.218
  244   3HD2  LEU  36          3HD2      LEU  36   3.941   0.018   0.174
  245    H    ASN  37           H        ASN  37   8.945  -0.371   2.922
  246    HA   ASN  37           HA       ASN  37  11.608   0.120   2.002
  247   1HB   ASN  37          2HB       ASN  37  10.764  -0.928   4.263
  248   2HB   ASN  37          1HB       ASN  37  10.881  -2.436   3.360
  249   1HD2  ASN  37          1HD2      ASN  37  12.645  -3.408   4.061
  250   2HD2  ASN  37          2HD2      ASN  37  14.217  -2.683   4.197
  251    HA   PRO  38           HA       PRO  38  11.146  -3.768  -0.642
  252   1HB   PRO  38          2HB       PRO  38   8.942  -5.295  -0.592
  253   2HB   PRO  38          1HB       PRO  38  10.201  -5.443   0.637
  254   1HG   PRO  38          2HG       PRO  38   7.528  -4.155   0.808
  255   2HG   PRO  38          1HG       PRO  38   8.449  -5.008   2.056
  256   1HD   PRO  38          2HD       PRO  38   8.258  -2.231   1.737
  257   2HD   PRO  38          1HD       PRO  38   9.426  -3.091   2.755
  258    HA   PRO  39           HA       PRO  39   8.814  -1.160  -3.529
  259   1HB   PRO  39          2HB       PRO  39  10.382  -1.658  -5.689
  260   2HB   PRO  39          1HB       PRO  39  10.823  -0.505  -4.424
  261   1HG   PRO  39          2HG       PRO  39  11.724  -3.334  -4.807
  262   2HG   PRO  39          1HG       PRO  39  12.679  -1.907  -4.364
  263   1HD   PRO  39          2HD       PRO  39  11.852  -3.727  -2.541
  264   2HD   PRO  39          1HD       PRO  39  12.029  -2.003  -2.154
  265    H    LEU  40           H        LEU  40   6.937  -1.914  -4.256
  266    HA   LEU  40           HA       LEU  40   6.784  -4.611  -5.375
  267   1HB   LEU  40          2HB       LEU  40   4.451  -2.757  -4.973
  268   2HB   LEU  40          1HB       LEU  40   4.453  -4.509  -5.043
  269    HG   LEU  40           HG       LEU  40   6.031  -3.466  -2.818
  270   1HD1  LEU  40          1HD1      LEU  40   3.703  -2.045  -3.350
  271   2HD1  LEU  40          2HD1      LEU  40   3.241  -3.206  -2.106
  272   3HD1  LEU  40          3HD1      LEU  40   4.585  -2.098  -1.824
  273   1HD2  LEU  40          1HD2      LEU  40   3.875  -5.498  -3.268
  274   2HD2  LEU  40          2HD2      LEU  40   5.554  -5.746  -2.788
  275   3HD2  LEU  40          3HD2      LEU  40   4.400  -5.068  -1.639
  276    HA   PRO  41           HA       PRO  41   6.791  -2.903  -9.444
  277   1HB   PRO  41          2HB       PRO  41   5.941  -5.497 -10.447
  278   2HB   PRO  41          1HB       PRO  41   7.519  -4.719 -10.584
  279   1HG   PRO  41          2HG       PRO  41   7.077  -6.925  -9.058
  280   2HG   PRO  41          1HG       PRO  41   8.322  -5.717  -8.685
  281   1HD   PRO  41          2HD       PRO  41   5.595  -6.064  -7.490
  282   2HD   PRO  41          1HD       PRO  41   7.132  -5.664  -6.692
  283    H    GLU  42           H        GLU  42   4.015  -4.641  -8.193
  284    HA   GLU  42           HA       GLU  42   2.327  -3.271 -10.185
  285   1HB   GLU  42          2HB       GLU  42   1.001  -5.531  -8.982
  286   2HB   GLU  42          1HB       GLU  42   1.317  -5.206 -10.681
  287   1HG   GLU  42          2HG       GLU  42   2.490  -7.115 -10.515
  288   2HG   GLU  42          1HG       GLU  42   3.752  -6.023  -9.943
  289    H    ILE  43           H        ILE  43   0.363  -2.421  -9.499
  290    HA   ILE  43           HA       ILE  43   0.267  -1.801  -6.636
  291    HB   ILE  43           HB       ILE  43  -1.636  -0.224  -7.426
  292   1HG1  ILE  43          2HG1      ILE  43  -0.369   0.178  -9.997
  293   1HG2  ILE  43          1HG2      ILE  43   1.085   0.529  -8.430
  294   2HG2  ILE  43          2HG2      ILE  43  -0.119   1.535  -7.622
  295   3HG2  ILE  43          3HG2      ILE  43   0.767   0.314  -6.708
  296   1HD1  ILE  43          1HD1      ILE  43  -3.211  -0.629  -9.507
  297   2HD1  ILE  43          2HD1      ILE  43  -2.628   1.010  -9.225
  298   3HD1  ILE  43          3HD1      ILE  43  -2.550   0.312 -10.843
  299    HA   PRO  44           HA       PRO  44  -2.986  -4.947  -6.493
  300   1HB   PRO  44          2HB       PRO  44  -2.796  -4.565  -3.603
  301   2HB   PRO  44          1HB       PRO  44  -2.467  -6.013  -4.557
  302   1HG   PRO  44          2HG       PRO  44  -0.516  -4.596  -3.322
  303   2HG   PRO  44          1HG       PRO  44  -0.252  -5.491  -4.829
  304   1HD   PRO  44          2HD       PRO  44  -0.680  -2.559  -4.414
  305   2HD   PRO  44          1HD       PRO  44   0.430  -3.396  -5.521
  306    H    ASN  45           H        ASN  45  -4.980  -4.234  -6.909
  307    HA   ASN  45           HA       ASN  45  -5.961  -1.809  -5.642
  308   1HB   ASN  45          2HB       ASN  45  -6.232  -2.456  -8.136
  309   2HB   ASN  45          1HB       ASN  45  -7.536  -3.495  -7.569
  310   1HD2  ASN  45          1HD2      ASN  45  -8.804  -2.094  -8.995
  311   2HD2  ASN  45          2HD2      ASN  45  -9.428  -0.608  -8.359
  312    H    GLY  46           H        GLY  46  -6.216  -5.192  -5.234
  313   1HA   GLY  46          1HA       GLY  46  -8.779  -5.069  -3.863
  314   2HA   GLY  46          2HA       GLY  46  -7.779  -6.498  -4.081
  315    H    GLU  47           H        GLU  47  -7.815  -7.183  -1.983
  316    HA   GLU  47           HA       GLU  47  -7.174  -5.405   0.194
  317   1HB   GLU  47          2HB       GLU  47  -7.786  -8.327  -0.055
  318   2HB   GLU  47          1HB       GLU  47  -7.003  -7.740   1.405
  319   1HG   GLU  47          2HG       GLU  47  -9.317  -7.802   1.839
  320   2HG   GLU  47          1HG       GLU  47  -8.878  -6.104   1.647
  321    H    TRP  48           H        TRP  48  -5.149  -4.639   0.190
  322    HA   TRP  48           HA       TRP  48  -2.979  -6.603  -0.072
  323   1HB   TRP  48          2HB       TRP  48  -2.664  -5.143  -1.886
  324   2HB   TRP  48          1HB       TRP  48  -3.189  -3.740  -0.970
  325    HD1  TRP  48           HD       TRP  48  -0.098  -5.869  -1.673
  326    HE1  TRP  48           1HE      TRP  48   1.973  -4.614  -0.798
  327    HE3  TRP  48           3HE      TRP  48  -2.443  -2.091   0.826
  328    HZ2  TRP  48           2HZ      TRP  48   2.535  -2.308   0.749
  329    HZ3  TRP  48           3HZ      TRP  48  -1.085  -0.408   1.960
  330    HH2  TRP  48           HH       TRP  48   1.353  -0.507   1.936
  331    H    LEU  49           H        LEU  49  -1.726  -6.827   1.670
  332    HA   LEU  49           HA       LEU  49  -2.321  -5.150   3.966
  333   1HB   LEU  49          2HB       LEU  49  -1.132  -7.865   3.563
  334   2HB   LEU  49          1HB       LEU  49  -0.758  -6.987   5.036
  335    HG   LEU  49           HG       LEU  49  -3.251  -6.760   5.392
  336   1HD1  LEU  49          1HD1      LEU  49  -3.692  -7.412   2.935
  337   2HD1  LEU  49          2HD1      LEU  49  -3.557  -9.067   3.527
  338   3HD1  LEU  49          3HD1      LEU  49  -4.785  -7.990   4.193
  339   1HD2  LEU  49          1HD2      LEU  49  -1.756  -8.401   6.549
  340   2HD2  LEU  49          2HD2      LEU  49  -3.446  -8.891   6.431
  341   3HD2  LEU  49          3HD2      LEU  49  -2.247  -9.595   5.346
  342    H    CYS  50           H        CYS  50  -0.843  -3.846   4.924
  343    HA   CYS  50           HA       CYS  50   1.081  -2.662   3.384
  344   1HB   CYS  50          2HB       CYS  50   1.719  -1.421   5.314
  345   2HB   CYS  50          1HB       CYS  50   0.003  -1.771   5.492
  346    HA   PRO  51           HA       PRO  51   4.840  -4.909   3.267
  347   1HB   PRO  51          2HB       PRO  51   6.659  -3.113   4.403
  348   2HB   PRO  51          1HB       PRO  51   6.192  -3.185   2.703
  349   1HG   PRO  51          2HG       PRO  51   5.202  -1.392   4.870
  350   2HG   PRO  51          1HG       PRO  51   5.475  -1.041   3.154
  351   1HD   PRO  51          2HD       PRO  51   3.011  -1.404   4.121
  352   2HD   PRO  51          1HD       PRO  51   3.463  -2.001   2.509
  353    H    ARG  52           H        ARG  52   3.693  -3.785   6.289
  354    HA   ARG  52           HA       ARG  52   5.652  -5.331   7.800
  355   1HB   ARG  52          2HB       ARG  52   3.288  -3.719   8.779
  356   2HB   ARG  52          1HB       ARG  52   4.543  -4.428   9.786
  357   1HG   ARG  52          2HG       ARG  52   5.399  -2.348   9.672
  358   2HG   ARG  52          1HG       ARG  52   6.069  -2.952   8.154
  359   1HD   ARG  52          2HD       ARG  52   4.935  -1.427   7.010
  360   2HD   ARG  52          1HD       ARG  52   3.417  -2.013   7.687
  361    HE   ARG  52           HE       ARG  52   5.100  -0.044   9.106
  362   1HH1  ARG  52          2HH1      ARG  52   1.995  -1.112   7.852
  363   2HH1  ARG  52          1HH1      ARG  52   1.130   0.257   8.491
  364   1HH2  ARG  52          2HH2      ARG  52   3.957   1.723   9.991
  365   2HH2  ARG  52          1HH2      ARG  52   2.234   1.839   9.756
  366    H    CYS  53           H        CYS  53   2.121  -5.191   7.358
  367    HA   CYS  53           HA       CYS  53   1.592  -7.624   8.720
  368   1HB   CYS  53          2HB       CYS  53   0.007  -6.084   6.667
  369   2HB   CYS  53          1HB       CYS  53  -0.611  -7.484   7.534
  370    H    THR  54           H        THR  54   2.308  -6.790   5.421
  371    HA   THR  54           HA       THR  54   1.631  -9.284   4.262
  372    HB   THR  54           HB       THR  54   2.820  -6.753   3.406
  373    HG1  THR  54           1HG      THR  54   1.063  -6.943   2.281
  374   1HG2  THR  54          1HG2      THR  54   3.749  -9.296   2.092
  375   2HG2  THR  54          2HG2      THR  54   4.744  -8.028   2.808
  376   3HG2  THR  54          3HG2      THR  54   3.829  -7.704   1.335
  377    H    CYS  55           H        CYS  55   4.637  -7.886   5.488
  378    HA   CYS  55           HA       CYS  55   6.617  -8.772   6.123
  379   1HB   CYS  55          2HB       CYS  55   5.168 -11.423   6.018
  380   2HB   CYS  55          1HB       CYS  55   6.714 -11.124   6.803
  381    HG   CYS  55           HG       CYS  55   4.484  -9.011   7.973
  382    HA   PRO  56           HA       PRO  56   7.875  -9.474   1.848
  383   1HB   PRO  56          2HB       PRO  56  10.456  -8.496   2.892
  384   2HB   PRO  56          1HB       PRO  56   9.478  -7.879   1.557
  385   1HG   PRO  56          2HG       PRO  56   9.662  -6.551   3.873
  386   2HG   PRO  56          1HG       PRO  56   8.150  -6.595   2.947
  387   1HD   PRO  56          2HD       PRO  56   8.925  -8.155   5.385
  388   2HD   PRO  56          1HD       PRO  56   7.377  -7.381   4.987
  389    H    ALA  57           H        ALA  57  10.699  -9.840   3.961
  390    HA   ALA  57           HA       ALA  57  11.164 -12.484   2.812
  391   1HB   ALA  57          1HB       ALA  57  12.835 -10.367   3.904
  392   2HB   ALA  57          2HB       ALA  57  13.270 -11.964   4.510
  393   3HB   ALA  57          3HB       ALA  57  13.239 -11.658   2.774
  394    H    LEU  58           H        LEU  58  10.379 -10.919   5.820
  395    HA   LEU  58           HA       LEU  58  10.664 -13.343   7.379
  396   1HB   LEU  58          2HB       LEU  58  10.221 -12.057   9.253
  397   2HB   LEU  58          1HB       LEU  58  11.018 -10.913   8.192
  398    HG   LEU  58           HG       LEU  58   8.139 -10.854   7.829
  399   1HD1  LEU  58          1HD1      LEU  58   7.569 -11.224   9.976
  400   2HD1  LEU  58          2HD1      LEU  58   9.194 -10.893  10.577
  401   3HD1  LEU  58          3HD1      LEU  58   8.107  -9.558  10.196
  402   1HD2  LEU  58          1HD2      LEU  58   9.258  -8.471   8.938
  403   2HD2  LEU  58          2HD2      LEU  58  10.363  -9.128   7.732
  404   3HD2  LEU  58          3HD2      LEU  58   8.691  -8.775   7.296
  405    H    LYS  59           H        LYS  59   8.693 -13.902   8.816
  406    HA   LYS  59           HA       LYS  59   6.182 -13.715   7.299
  407   1HB   LYS  59          2HB       LYS  59   7.788 -16.080   7.593
  408   2HB   LYS  59          1HB       LYS  59   6.258 -16.304   8.430
  409   1HG   LYS  59          2HG       LYS  59   5.143 -16.533   6.519
  410   2HG   LYS  59          1HG       LYS  59   5.911 -15.110   5.809
  411   1HD   LYS  59          2HD       LYS  59   7.961 -16.563   5.463
  412   2HD   LYS  59          1HD       LYS  59   6.930 -17.939   5.865
  413   1HE   LYS  59          2HE       LYS  59   6.497 -17.990   3.670
  414   2HE   LYS  59          1HE       LYS  59   5.413 -16.645   4.018
  415   1HZ   LYS  59          1HZ       LYS  59   7.028 -15.097   3.330
  416   2HZ   LYS  59          2HZ       LYS  59   7.011 -16.304   2.137
  417   3HZ   LYS  59          3HZ       LYS  59   8.260 -16.265   3.283
  418    H    GLY  60           H        GLY  60   6.039 -12.097   9.121
  419   1HA   GLY  60          1HA       GLY  60   5.822 -13.009  11.808
  420   2HA   GLY  60          2HA       GLY  60   5.285 -11.451  11.196
  421    H    LYS  61           H        LYS  61   3.537 -12.580   9.196
  422    HA   LYS  61           HA       LYS  61   1.641 -14.261  10.540
  423   1HB   LYS  61          2HB       LYS  61   1.296 -11.666  11.151
  424   2HB   LYS  61          1HB       LYS  61   0.421 -11.704   9.628
  425   1HG   LYS  61          2HG       LYS  61  -1.297 -12.841  10.504
  426   2HG   LYS  61          1HG       LYS  61  -0.244 -13.896  11.448
  427   1HD   LYS  61          2HD       LYS  61  -0.601 -11.034  12.237
  428   2HD   LYS  61          1HD       LYS  61  -1.826 -12.230  12.664
  429   1HE   LYS  61          2HE       LYS  61   0.894 -13.105  13.242
  430   2HE   LYS  61          1HE       LYS  61   0.432 -11.646  14.116
  431   1HZ   LYS  61          1HZ       LYS  61  -1.587 -13.705  14.120
  432   2HZ   LYS  61          2HZ       LYS  61  -0.982 -12.774  15.401
  433   3HZ   LYS  61          3HZ       LYS  61  -0.148 -14.156  14.890
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -8.359   4.857  -0.681
    2   2H    GLY   1          2H        GLY   1  -8.670   4.419  -2.287
    3   3H    GLY   1          3H        GLY   1  -9.666   5.547  -1.510
    4   1HA   GLY   1          2HA       GLY   1  -6.808   5.931  -2.200
    5   2HA   GLY   1          1HA       GLY   1  -8.175   6.663  -3.029
    6    HA   PRO   2           HA       PRO   2  -7.063   9.876  -0.061
    7   1HB   PRO   2          2HB       PRO   2  -8.624  11.659  -1.746
    8   2HB   PRO   2          1HB       PRO   2  -6.886  11.662  -1.443
    9   1HG   PRO   2          2HG       PRO   2  -7.978  10.999  -3.844
   10   2HG   PRO   2          1HG       PRO   2  -6.436  10.345  -3.262
   11   1HD   PRO   2          2HD       PRO   2  -9.154   9.083  -3.257
   12   2HD   PRO   2          1HD       PRO   2  -7.574   8.362  -3.635
   13    H    LEU   3           H        LEU   3  -8.510   8.849   1.477
   14    HA   LEU   3           HA       LEU   3 -11.291   9.727   1.423
   15   1HB   LEU   3          2HB       LEU   3  -9.769   7.844   3.220
   16   2HB   LEU   3          1HB       LEU   3 -11.441   8.292   3.497
   17    HG   LEU   3           HG       LEU   3 -10.629   7.101   0.869
   18   1HD1  LEU   3          1HD1      LEU   3 -10.303   5.058   1.681
   19   2HD1  LEU   3          2HD1      LEU   3 -10.152   5.808   3.271
   20   3HD1  LEU   3          3HD1      LEU   3 -11.711   5.177   2.738
   21   1HD2  LEU   3          1HD2      LEU   3 -13.170   6.446   2.200
   22   2HD2  LEU   3          2HD2      LEU   3 -12.966   8.137   1.744
   23   3HD2  LEU   3          3HD2      LEU   3 -12.842   6.873   0.519
   24    H    GLY   4           H        GLY   4 -11.135  11.904   1.843
   25   1HA   GLY   4          1HA       GLY   4  -9.490  13.115   3.747
   26   2HA   GLY   4          2HA       GLY   4 -10.967  13.810   3.099
   27    H    SER   5           H        SER   5  -9.447  12.383   5.781
   28    HA   SER   5           HA       SER   5 -10.074  11.927   7.908
   29   1HB   SER   5          2HB       SER   5 -12.352  13.858   7.476
   30   2HB   SER   5          1HB       SER   5 -11.462  13.536   8.967
   31    HG   SER   5           HG       SER   5  -9.570  14.298   7.539
   32    H    ASP   6           H        ASP   6 -10.863   9.971   6.323
   33    HA   ASP   6           HA       ASP   6 -13.623   9.345   7.158
   34   1HB   ASP   6          2HB       ASP   6 -13.354   9.485   4.708
   35   2HB   ASP   6          1HB       ASP   6 -12.080   8.272   4.784
   36    H    HIS   7           H        HIS   7 -10.607   7.725   6.240
   37    HA   HIS   7           HA       HIS   7 -10.350   6.315   8.684
   38   1HB   HIS   7          2HB       HIS   7 -12.178   4.959   7.811
   39   2HB   HIS   7          1HB       HIS   7 -11.342   4.769   6.275
   40    HD2  HIS   7           2HD      HIS   7  -9.714   2.634   6.098
   41    HE1  HIS   7           1HE      HIS   7  -9.853   1.544  10.185
   42    HE2  HIS   7           2HE      HIS   7  -8.903   0.952   7.905
   43    H    HIS   8           H        HIS   8  -9.663   5.974   5.227
   44    HA   HIS   8           HA       HIS   8  -6.875   5.442   5.878
   45   1HB   HIS   8          2HB       HIS   8  -8.563   5.139   3.423
   46   2HB   HIS   8          1HB       HIS   8  -6.815   5.273   3.252
   47    HD2  HIS   8           2HD      HIS   8  -5.505   3.318   5.136
   48    HE1  HIS   8           1HE      HIS   8  -8.567   0.538   4.276
   49    HE2  HIS   8           2HE      HIS   8  -6.170   0.813   5.030
   50    H    MET   9           H        MET   9  -5.225   6.736   5.225
   51    HA   MET   9           HA       MET   9  -5.546   9.481   5.315
   52   1HB   MET   9          2HB       MET   9  -3.319   7.695   4.471
   53   2HB   MET   9          1HB       MET   9  -3.190   9.412   4.115
   54   1HG   MET   9          2HG       MET   9  -2.564   9.842   6.178
   55   2HG   MET   9          1HG       MET   9  -4.011   9.069   6.826
   56   1HE   MET   9          1HE       MET   9  -1.845   7.302   9.156
   57   2HE   MET   9          2HE       MET   9  -3.036   8.552   8.797
   58   3HE   MET   9          3HE       MET   9  -3.471   6.850   8.649
   59    H    GLU  10           H        GLU  10  -5.452  11.130   3.840
   60    HA   GLU  10           HA       GLU  10  -6.518  10.537   1.210
   61   1HB   GLU  10          2HB       GLU  10  -5.675  13.293   1.917
   62   2HB   GLU  10          1HB       GLU  10  -7.146  12.736   1.131
   63   1HG   GLU  10          2HG       GLU  10  -8.037  13.393   3.095
   64   2HG   GLU  10          1HG       GLU  10  -7.607  11.747   3.547
   65    H    PHE  11           H        PHE  11  -3.526  10.826   2.641
   66    HA   PHE  11           HA       PHE  11  -2.211  10.930   0.047
   67   1HB   PHE  11          2HB       PHE  11  -0.459  12.465   0.980
   68   2HB   PHE  11          1HB       PHE  11  -2.031  13.228   0.771
   69    HD1  PHE  11           1HD      PHE  11  -3.380  13.856   2.697
   70    HD2  PHE  11           2HD      PHE  11   0.462  12.082   3.185
   71    HE1  PHE  11           1HE      PHE  11  -3.354  14.556   5.056
   72    HE2  PHE  11           2HE      PHE  11   0.484  12.776   5.544
   73    HZ   PHE  11           HZ       PHE  11  -1.423  14.019   6.481
   74    H    CYS  12           H        CYS  12  -0.224   9.837   0.015
   75    HA   CYS  12           HA       CYS  12   0.071   7.875   2.114
   76   1HB   CYS  12          2HB       CYS  12   0.755   6.712   0.326
   77   2HB   CYS  12          1HB       CYS  12   0.940   8.171  -0.640
   78    HG   CYS  12           HG       CYS  12   3.450   8.138  -0.722
   79    H    ARG  13           H        ARG  13   1.037   8.374   3.895
   80    HA   ARG  13           HA       ARG  13   2.173  10.760   4.482
   81   1HB   ARG  13          2HB       ARG  13   1.919   9.944   6.531
   82   2HB   ARG  13          1HB       ARG  13   1.557   8.386   5.819
   83   1HG   ARG  13          2HG       ARG  13   4.411   8.840   5.981
   84   2HG   ARG  13          1HG       ARG  13   3.622   8.965   7.554
   85   1HD   ARG  13          2HD       ARG  13   3.332   6.660   5.629
   86   2HD   ARG  13          1HD       ARG  13   4.359   6.673   7.065
   87    HE   ARG  13           HE       ARG  13   1.440   7.031   7.245
   88   1HH1  ARG  13          2HH1      ARG  13   4.385   5.371   8.164
   89   2HH1  ARG  13          1HH1      ARG  13   3.637   4.509   9.480
   90   1HH2  ARG  13          2HH2      ARG  13   0.459   5.915   8.966
   91   2HH2  ARG  13          1HH2      ARG  13   1.383   4.783   9.904
   92    H    VAL  14           H        VAL  14   3.817   8.240   2.865
   93    HA   VAL  14           HA       VAL  14   6.436   8.900   3.813
   94    HB   VAL  14           HB       VAL  14   5.891   7.343   1.307
   95   1HG1  VAL  14          1HG1      VAL  14   8.226   8.046   2.087
   96   2HG1  VAL  14          2HG1      VAL  14   8.009   6.865   3.378
   97   3HG1  VAL  14          3HG1      VAL  14   7.973   6.344   1.693
   98   1HG2  VAL  14          1HG2      VAL  14   6.176   5.539   3.438
   99   2HG2  VAL  14          2HG2      VAL  14   4.970   6.718   3.952
  100   3HG2  VAL  14          3HG2      VAL  14   4.744   5.823   2.451
  101    H    CYS  15           H        CYS  15   4.542   9.722   0.935
  102    HA   CYS  15           HA       CYS  15   6.749  11.495   0.110
  103   1HB   CYS  15          2HB       CYS  15   6.237  11.076  -2.178
  104   2HB   CYS  15          1HB       CYS  15   6.298   9.506  -1.383
  105    H    LYS  16           H        LYS  16   3.637  11.347   1.217
  106    HA   LYS  16           HA       LYS  16   2.064  12.887   1.659
  107   1HB   LYS  16          2HB       LYS  16   4.329  14.513   1.006
  108   2HB   LYS  16          1HB       LYS  16   2.872  15.257   0.360
  109   1HG   LYS  16          2HG       LYS  16   2.253  14.392   2.968
  110   2HG   LYS  16          1HG       LYS  16   3.822  15.199   3.047
  111   1HD   LYS  16          2HD       LYS  16   2.610  17.085   3.168
  112   2HD   LYS  16          1HD       LYS  16   2.420  16.880   1.425
  113   1HE   LYS  16          2HE       LYS  16   0.227  16.718   1.701
  114   2HE   LYS  16          1HE       LYS  16   0.466  15.266   2.670
  115   1HZ   LYS  16          1HZ       LYS  16  -0.806  17.113   3.759
  116   2HZ   LYS  16          2HZ       LYS  16   0.638  18.000   3.807
  117   3HZ   LYS  16          3HZ       LYS  16   0.523  16.528   4.643
  118    H    ASP  17           H        ASP  17   2.661  11.626  -1.248
  119    HA   ASP  17           HA       ASP  17   0.653  13.201  -2.668
  120   1HB   ASP  17          2HB       ASP  17   2.504  12.595  -4.058
  121   2HB   ASP  17          1HB       ASP  17   2.393  10.908  -3.563
  122    H    GLY  18           H        GLY  18  -1.373  12.480  -3.163
  123   1HA   GLY  18          1HA       GLY  18  -2.119   9.858  -2.023
  124   2HA   GLY  18          2HA       GLY  18  -3.119  11.294  -1.827
  125    H    GLY  19           H        GLY  19  -1.414  10.100  -4.706
  126   1HA   GLY  19          1HA       GLY  19  -3.853  10.394  -6.248
  127   2HA   GLY  19          2HA       GLY  19  -2.268   9.954  -6.869
  128    H    GLU  20           H        GLU  20  -1.613   7.803  -6.827
  129    HA   GLU  20           HA       GLU  20  -3.799   5.876  -6.816
  130   1HB   GLU  20          2HB       GLU  20  -1.414   6.179  -8.272
  131   2HB   GLU  20          1HB       GLU  20  -1.177   4.751  -7.274
  132   1HG   GLU  20          2HG       GLU  20  -2.136   4.359  -9.574
  133   2HG   GLU  20          1HG       GLU  20  -3.030   3.646  -8.231
  134    H    LEU  21           H        LEU  21  -4.031   6.197  -4.464
  135    HA   LEU  21           HA       LEU  21  -1.875   5.499  -2.761
  136   1HB   LEU  21          2HB       LEU  21  -4.689   6.351  -2.413
  137   2HB   LEU  21          1HB       LEU  21  -3.942   5.505  -1.067
  138    HG   LEU  21           HG       LEU  21  -2.855   8.005  -2.365
  139   1HD1  LEU  21          1HD1      LEU  21  -4.627   8.822  -1.162
  140   2HD1  LEU  21          2HD1      LEU  21  -4.543   7.536   0.043
  141   3HD1  LEU  21          3HD1      LEU  21  -3.346   8.833   0.053
  142   1HD2  LEU  21          1HD2      LEU  21  -0.989   7.727  -1.199
  143   2HD2  LEU  21          2HD2      LEU  21  -1.878   7.287   0.263
  144   3HD2  LEU  21          3HD2      LEU  21  -1.508   6.060  -0.954
  145    H    LEU  22           H        LEU  22  -1.264   3.664  -1.987
  146    HA   LEU  22           HA       LEU  22  -3.032   1.318  -2.212
  147   1HB   LEU  22          2HB       LEU  22  -0.596   1.511  -3.244
  148   2HB   LEU  22          1HB       LEU  22  -0.114   1.113  -1.607
  149    HG   LEU  22           HG       LEU  22  -1.449  -0.965  -1.738
  150   1HD1  LEU  22          1HD1      LEU  22  -1.957   0.018  -4.532
  151   2HD1  LEU  22          2HD1      LEU  22  -2.130  -1.673  -4.067
  152   3HD1  LEU  22          3HD1      LEU  22  -3.137  -0.441  -3.306
  153   1HD2  LEU  22          1HD2      LEU  22   0.220  -2.132  -2.766
  154   2HD2  LEU  22          2HD2      LEU  22   0.313  -1.013  -4.126
  155   3HD2  LEU  22          3HD2      LEU  22   1.024  -0.573  -2.573
  156    H    CYS  23           H        CYS  23  -4.150   1.296  -0.345
  157    HA   CYS  23           HA       CYS  23  -2.719   1.871   2.146
  158   1HB   CYS  23          2HB       CYS  23  -5.669   1.658   2.140
  159   2HB   CYS  23          1HB       CYS  23  -4.624   2.841   2.920
  160    HG   CYS  23           HG       CYS  23  -6.514   3.740   0.782
  161    H    CYS  24           H        CYS  24  -2.946   0.570   3.974
  162    HA   CYS  24           HA       CYS  24  -3.093  -2.223   3.448
  163   1HB   CYS  24          2HB       CYS  24  -1.601  -1.131   5.165
  164   2HB   CYS  24          1HB       CYS  24  -3.033  -0.853   6.149
  165    H    ASP  25           H        ASP  25  -4.460  -3.707   4.742
  166    HA   ASP  25           HA       ASP  25  -7.229  -2.746   4.776
  167   1HB   ASP  25          2HB       ASP  25  -6.715  -4.866   3.562
  168   2HB   ASP  25          1HB       ASP  25  -6.209  -5.579   5.093
  169    H    THR  26           H        THR  26  -4.738  -4.141   6.809
  170    HA   THR  26           HA       THR  26  -6.417  -4.195   9.160
  171    HB   THR  26           HB       THR  26  -3.584  -4.319   9.725
  172    HG1  THR  26           1HG      THR  26  -2.903  -5.560   8.148
  173   1HG2  THR  26          1HG2      THR  26  -4.187  -6.176  10.956
  174   2HG2  THR  26          2HG2      THR  26  -5.437  -6.660   9.810
  175   3HG2  THR  26          3HG2      THR  26  -5.714  -5.296  10.895
  176    H    CYS  27           H        CYS  27  -4.000  -2.146   7.699
  177    HA   CYS  27           HA       CYS  27  -4.098  -0.305   9.975
  178   1HB   CYS  27          2HB       CYS  27  -2.287  -0.298   7.554
  179   2HB   CYS  27          1HB       CYS  27  -2.135   0.734   8.975
  180    HA   PRO  28           HA       PRO  28  -6.494   2.510   7.453
  181   1HB   PRO  28          2HB       PRO  28  -6.611   4.532   9.236
  182   2HB   PRO  28          1HB       PRO  28  -7.530   3.041   9.441
  183   1HG   PRO  28          2HG       PRO  28  -5.182   4.010  10.915
  184   2HG   PRO  28          1HG       PRO  28  -6.383   2.802  11.390
  185   1HD   PRO  28          2HD       PRO  28  -3.744   2.379  10.310
  186   2HD   PRO  28          1HD       PRO  28  -4.919   1.163  10.849
  187    H    SER  29           H        SER  29  -3.565   2.368   7.140
  188    HA   SER  29           HA       SER  29  -2.944   5.203   6.670
  189   1HB   SER  29          2HB       SER  29  -0.759   3.186   6.732
  190   2HB   SER  29          1HB       SER  29  -0.783   4.843   7.339
  191    HG   SER  29           HG       SER  29  -1.871   4.167   9.153
  192    H    SER  30           H        SER  30  -2.167   5.827   4.699
  193    HA   SER  30           HA       SER  30  -2.419   3.813   2.576
  194   1HB   SER  30          2HB       SER  30  -2.506   6.754   2.026
  195   2HB   SER  30          1HB       SER  30  -3.324   5.432   1.191
  196    HG   SER  30           HG       SER  30  -4.768   6.691   2.459
  197    H    TYR  31           H        TYR  31  -0.763   3.411   1.253
  198    HA   TYR  31           HA       TYR  31   1.627   5.124   1.456
  199   1HB   TYR  31          2HB       TYR  31   1.598   2.101   1.252
  200   2HB   TYR  31          1HB       TYR  31   3.028   3.122   1.343
  201    HD1  TYR  31           1HD      TYR  31   3.202   4.628   3.477
  202    HD2  TYR  31           2HD      TYR  31   0.755   1.163   3.190
  203    HE1  TYR  31           1HE      TYR  31   3.187   4.446   5.926
  204    HE2  TYR  31           2HE      TYR  31   0.723   0.974   5.640
  205    HH   TYR  31           HH       TYR  31   1.522   1.753   7.561
  206    H    HIS  32           H        HIS  32   3.059   3.375  -0.395
  207    HA   HIS  32           HA       HIS  32   1.517   3.446  -2.862
  208   1HB   HIS  32          2HB       HIS  32   3.860   5.192  -2.288
  209   2HB   HIS  32          1HB       HIS  32   3.792   4.439  -3.875
  210    HD2  HIS  32           2HD      HIS  32   0.900   4.891  -4.886
  211    HE1  HIS  32           1HE      HIS  32   1.293   8.878  -3.556
  212    HE2  HIS  32           2HE      HIS  32   0.185   7.360  -5.248
  213    H    ILE  33           H        ILE  33   3.031   2.474  -4.681
  214    HA   ILE  33           HA       ILE  33   3.979  -0.024  -3.624
  215    HB   ILE  33           HB       ILE  33   4.590  -0.524  -6.009
  216   1HG1  ILE  33          2HG1      ILE  33   3.146   2.051  -6.644
  217   1HG2  ILE  33          1HG2      ILE  33   1.937   0.029  -6.606
  218   2HG2  ILE  33          2HG2      ILE  33   2.566  -1.434  -5.848
  219   3HG2  ILE  33          3HG2      ILE  33   1.975  -0.106  -4.848
  220   1HD1  ILE  33          1HD1      ILE  33   3.363   1.563  -8.803
  221   2HD1  ILE  33          2HD1      ILE  33   4.987   0.910  -8.595
  222   3HD1  ILE  33          3HD1      ILE  33   3.580  -0.097  -8.252
  223    H    HIS  34           H        HIS  34   5.435   2.984  -4.174
  224    HA   HIS  34           HA       HIS  34   8.097   1.725  -4.115
  225   1HB   HIS  34          2HB       HIS  34   8.871   3.881  -5.268
  226   2HB   HIS  34          1HB       HIS  34   7.988   2.715  -6.242
  227    HD2  HIS  34           2HD      HIS  34   6.111   5.286  -3.970
  228    HE1  HIS  34           1HE      HIS  34   5.413   6.219  -8.034
  229    HE2  HIS  34           2HE      HIS  34   4.967   6.911  -5.632
  230    H    CYS  35           H        CYS  35   5.999   3.339  -2.234
  231    HA   CYS  35           HA       CYS  35   8.010   5.060  -0.986
  232   1HB   CYS  35          2HB       CYS  35   5.014   4.944  -0.546
  233   2HB   CYS  35          1HB       CYS  35   6.116   6.071   0.234
  234    H    LEU  36           H        LEU  36   7.367   1.978  -0.761
  235    HA   LEU  36           HA       LEU  36   7.527   1.901   2.176
  236   1HB   LEU  36          2HB       LEU  36   7.320  -0.704   0.925
  237   2HB   LEU  36          1HB       LEU  36   6.344   0.003   2.195
  238    HG   LEU  36           HG       LEU  36   5.679   1.122  -0.397
  239   1HD1  LEU  36          1HD1      LEU  36   5.833  -0.730  -1.637
  240   2HD1  LEU  36          2HD1      LEU  36   6.105  -1.756  -0.229
  241   3HD1  LEU  36          3HD1      LEU  36   4.461  -1.326  -0.703
  242   1HD2  LEU  36          1HD2      LEU  36   3.432   0.527   0.327
  243   2HD2  LEU  36          2HD2      LEU  36   4.096  -0.440   1.643
  244   3HD2  LEU  36          3HD2      LEU  36   4.319   1.310   1.633
  245    H    ASN  37           H        ASN  37   8.735  -0.590   2.413
  246    HA   ASN  37           HA       ASN  37  11.464   0.079   1.799
  247   1HB   ASN  37          2HB       ASN  37  11.060  -0.960   3.928
  248   2HB   ASN  37          1HB       ASN  37  10.214  -2.307   3.175
  249   1HD2  ASN  37          1HD2      ASN  37  13.364  -0.719   3.357
  250   2HD2  ASN  37          2HD2      ASN  37  14.296  -2.171   3.157
  251    HA   PRO  38           HA       PRO  38  11.126  -3.443  -1.339
  252   1HB   PRO  38          2HB       PRO  38   8.974  -5.038  -1.477
  253   2HB   PRO  38          1HB       PRO  38  10.246  -5.306  -0.283
  254   1HG   PRO  38          2HG       PRO  38   7.527  -4.185   0.072
  255   2HG   PRO  38          1HG       PRO  38   8.523  -5.098   1.215
  256   1HD   PRO  38          2HD       PRO  38   8.159  -2.290   1.106
  257   2HD   PRO  38          1HD       PRO  38   9.303  -3.183   2.124
  258    HA   PRO  39           HA       PRO  39   8.505  -0.771  -3.853
  259   1HB   PRO  39          2HB       PRO  39  10.415  -0.676  -5.910
  260   2HB   PRO  39          1HB       PRO  39  10.212   0.491  -4.604
  261   1HG   PRO  39          2HG       PRO  39  12.397  -1.258  -5.002
  262   2HG   PRO  39          1HG       PRO  39  12.097  -0.228  -3.595
  263   1HD   PRO  39          2HD       PRO  39  11.627  -3.132  -3.948
  264   2HD   PRO  39          1HD       PRO  39  11.941  -2.206  -2.465
  265    H    LEU  40           H        LEU  40   6.927  -2.270  -4.392
  266    HA   LEU  40           HA       LEU  40   7.454  -4.323  -6.358
  267   1HB   LEU  40          2HB       LEU  40   4.728  -4.261  -6.061
  268   2HB   LEU  40          1HB       LEU  40   5.830  -5.266  -5.145
  269    HG   LEU  40           HG       LEU  40   5.441  -2.579  -4.021
  270   1HD1  LEU  40          1HD1      LEU  40   3.187  -3.047  -4.910
  271   2HD1  LEU  40          2HD1      LEU  40   3.161  -4.546  -3.980
  272   3HD1  LEU  40          3HD1      LEU  40   3.237  -2.994  -3.148
  273   1HD2  LEU  40          1HD2      LEU  40   5.931  -5.330  -3.162
  274   2HD2  LEU  40          2HD2      LEU  40   6.450  -3.806  -2.444
  275   3HD2  LEU  40          3HD2      LEU  40   4.834  -4.433  -2.114
  276    HA   PRO  41           HA       PRO  41   6.330  -1.714  -9.739
  277   1HB   PRO  41          2HB       PRO  41   6.446  -3.520 -11.716
  278   2HB   PRO  41          1HB       PRO  41   7.894  -2.990 -10.855
  279   1HG   PRO  41          2HG       PRO  41   6.314  -5.506 -10.534
  280   2HG   PRO  41          1HG       PRO  41   8.069  -5.271 -10.502
  281   1HD   PRO  41          2HD       PRO  41   6.478  -5.515  -8.259
  282   2HD   PRO  41          1HD       PRO  41   8.071  -4.734  -8.286
  283    H    GLU  42           H        GLU  42   4.440  -4.461  -8.826
  284    HA   GLU  42           HA       GLU  42   2.246  -3.643 -10.604
  285   1HB   GLU  42          2HB       GLU  42   2.085  -6.113  -8.941
  286   2HB   GLU  42          1HB       GLU  42   1.438  -5.802 -10.545
  287   1HG   GLU  42          2HG       GLU  42   4.391  -5.988 -10.137
  288   2HG   GLU  42          1HG       GLU  42   3.411  -7.451 -10.241
  289    H    ILE  43           H        ILE  43   0.141  -3.341  -9.738
  290    HA   ILE  43           HA       ILE  43   0.190  -2.550  -6.910
  291    HB   ILE  43           HB       ILE  43  -2.086  -1.474  -7.555
  292   1HG1  ILE  43          2HG1      ILE  43  -0.887  -1.130 -10.249
  293   1HG2  ILE  43          1HG2      ILE  43  -0.825   0.550  -8.444
  294   2HG2  ILE  43          2HG2      ILE  43  -0.330  -0.084  -6.874
  295   3HG2  ILE  43          3HG2      ILE  43   0.626  -0.443  -8.312
  296   1HD1  ILE  43          1HD1      ILE  43  -3.011  -0.006  -9.368
  297   2HD1  ILE  43          2HD1      ILE  43  -3.056  -0.738 -10.972
  298   3HD1  ILE  43          3HD1      ILE  43  -3.768  -1.583  -9.597
  299    HA   PRO  44           HA       PRO  44  -2.125  -6.332  -6.328
  300   1HB   PRO  44          2HB       PRO  44  -2.015  -5.569  -3.500
  301   2HB   PRO  44          1HB       PRO  44  -1.345  -6.994  -4.298
  302   1HG   PRO  44          2HG       PRO  44   0.224  -5.021  -3.346
  303   2HG   PRO  44          1HG       PRO  44   0.645  -5.947  -4.799
  304   1HD   PRO  44          2HD       PRO  44  -0.543  -3.205  -4.578
  305   2HD   PRO  44          1HD       PRO  44   0.713  -3.805  -5.682
  306    H    ASN  45           H        ASN  45  -4.219  -6.157  -6.846
  307    HA   ASN  45           HA       ASN  45  -5.861  -4.063  -5.733
  308   1HB   ASN  45          2HB       ASN  45  -7.561  -4.766  -7.240
  309   2HB   ASN  45          1HB       ASN  45  -6.041  -4.884  -8.117
  310   1HD2  ASN  45          1HD2      ASN  45  -8.871  -6.466  -7.306
  311   2HD2  ASN  45          2HD2      ASN  45  -8.405  -8.073  -7.775
  312    H    GLY  46           H        GLY  46  -7.265  -4.210  -4.112
  313   1HA   GLY  46          1HA       GLY  46  -8.831  -5.304  -2.716
  314   2HA   GLY  46          2HA       GLY  46  -8.108  -6.842  -3.156
  315    H    GLU  47           H        GLU  47  -7.471  -7.723  -1.336
  316    HA   GLU  47           HA       GLU  47  -6.452  -6.218   0.889
  317   1HB   GLU  47          2HB       GLU  47  -7.824  -8.334   1.027
  318   2HB   GLU  47          1HB       GLU  47  -6.407  -9.209   0.463
  319   1HG   GLU  47          2HG       GLU  47  -5.215  -8.131   2.471
  320   2HG   GLU  47          1HG       GLU  47  -6.844  -7.812   3.066
  321    H    TRP  48           H        TRP  48  -4.574  -5.197   0.229
  322    HA   TRP  48           HA       TRP  48  -2.439  -6.820  -0.886
  323   1HB   TRP  48          2HB       TRP  48  -2.411  -4.867  -2.071
  324   2HB   TRP  48          1HB       TRP  48  -3.055  -3.926  -0.732
  325    HD1  TRP  48           HD       TRP  48   0.313  -5.520  -1.819
  326    HE1  TRP  48           1HE      TRP  48   2.207  -4.030  -0.919
  327    HE3  TRP  48           3HE      TRP  48  -2.487  -2.160   0.804
  328    HZ2  TRP  48           2HZ      TRP  48   2.476  -1.729   0.688
  329    HZ3  TRP  48           3HZ      TRP  48  -1.343  -0.352   1.999
  330    HH2  TRP  48           HH       TRP  48   1.089  -0.136   1.947
  331    H    LEU  49           H        LEU  49  -3.122  -4.800   1.838
  332    HA   LEU  49           HA       LEU  49  -2.384  -4.720   3.982
  333   1HB   LEU  49          2HB       LEU  49  -0.882  -7.269   3.362
  334   2HB   LEU  49          1HB       LEU  49  -1.095  -6.568   4.950
  335    HG   LEU  49           HG       LEU  49  -3.215  -7.813   3.206
  336   1HD1  LEU  49          1HD1      LEU  49  -1.592  -9.156   4.714
  337   2HD1  LEU  49          2HD1      LEU  49  -2.564  -8.515   6.037
  338   3HD1  LEU  49          3HD1      LEU  49  -3.320  -9.498   4.785
  339   1HD2  LEU  49          1HD2      LEU  49  -4.224  -7.151   5.759
  340   2HD2  LEU  49          2HD2      LEU  49  -3.500  -5.691   5.079
  341   3HD2  LEU  49          3HD2      LEU  49  -4.750  -6.556   4.183
  342    H    CYS  50           H        CYS  50  -0.896  -3.416   4.813
  343    HA   CYS  50           HA       CYS  50   1.206  -2.408   3.276
  344   1HB   CYS  50          2HB       CYS  50   1.791  -1.124   5.171
  345   2HB   CYS  50          1HB       CYS  50   0.053  -1.364   5.309
  346    HA   PRO  51           HA       PRO  51   4.575  -5.201   3.621
  347   1HB   PRO  51          2HB       PRO  51   6.663  -3.522   4.281
  348   2HB   PRO  51          1HB       PRO  51   6.021  -3.737   2.649
  349   1HG   PRO  51          2HG       PRO  51   5.442  -1.586   4.647
  350   2HG   PRO  51          1HG       PRO  51   5.699  -1.450   2.896
  351   1HD   PRO  51          2HD       PRO  51   3.244  -1.365   3.950
  352   2HD   PRO  51          1HD       PRO  51   3.552  -2.180   2.401
  353    H    ARG  52           H        ARG  52   3.607  -3.352   6.316
  354    HA   ARG  52           HA       ARG  52   5.434  -4.669   8.157
  355   1HB   ARG  52          2HB       ARG  52   3.091  -2.875   8.794
  356   2HB   ARG  52          1HB       ARG  52   4.399  -3.336   9.877
  357   1HG   ARG  52          2HG       ARG  52   5.661  -1.655   9.173
  358   2HG   ARG  52          1HG       ARG  52   5.453  -2.142   7.488
  359   1HD   ARG  52          2HD       ARG  52   3.487  -0.853   7.258
  360   2HD   ARG  52          1HD       ARG  52   3.354  -0.606   8.999
  361    HE   ARG  52           HE       ARG  52   5.179   0.757   7.160
  362   1HH1  ARG  52          2HH1      ARG  52   4.063   0.249  10.449
  363   2HH1  ARG  52          1HH1      ARG  52   4.751   1.732  11.043
  364   1HH2  ARG  52          2HH2      ARG  52   6.115   2.684   7.952
  365   2HH2  ARG  52          1HH2      ARG  52   5.934   3.113   9.625
  366    H    CYS  53           H        CYS  53   2.178  -4.934   6.968
  367    HA   CYS  53           HA       CYS  53   1.468  -6.940   8.947
  368   1HB   CYS  53          2HB       CYS  53  -0.015  -5.712   6.632
  369   2HB   CYS  53          1HB       CYS  53  -0.649  -7.090   7.525
  370    H    THR  54           H        THR  54   2.105  -6.746   5.452
  371    HA   THR  54           HA       THR  54   2.004  -9.643   5.246
  372    HB   THR  54           HB       THR  54   1.149  -8.461   3.335
  373    HG1  THR  54           1HG      THR  54   3.617  -9.373   2.342
  374   1HG2  THR  54          1HG2      THR  54   3.804  -7.352   2.570
  375   2HG2  THR  54          2HG2      THR  54   2.835  -6.476   3.756
  376   3HG2  THR  54          3HG2      THR  54   2.184  -6.798   2.150
  377    H    CYS  55           H        CYS  55   3.598 -10.522   6.391
  378    HA   CYS  55           HA       CYS  55   6.336 -10.069   5.485
  379   1HB   CYS  55          2HB       CYS  55   5.252  -9.336   8.152
  380   2HB   CYS  55          1HB       CYS  55   6.815 -10.145   8.136
  381    HG   CYS  55           HG       CYS  55   6.058  -7.201   6.555
  382    HA   PRO  56           HA       PRO  56   6.226 -14.480   6.068
  383   1HB   PRO  56          2HB       PRO  56   8.754 -15.007   5.284
  384   2HB   PRO  56          1HB       PRO  56   7.486 -14.559   4.140
  385   1HG   PRO  56          2HG       PRO  56   9.683 -12.898   5.285
  386   2HG   PRO  56          1HG       PRO  56   9.021 -12.903   3.642
  387   1HD   PRO  56          2HD       PRO  56   8.386 -11.048   5.575
  388   2HD   PRO  56          1HD       PRO  56   7.350 -11.447   4.191
  389    H    ALA  57           H        ALA  57   6.020 -14.414   8.352
  390    HA   ALA  57           HA       ALA  57   6.605 -14.800  10.510
  391   1HB   ALA  57          1HB       ALA  57   7.426 -16.881  10.029
  392   2HB   ALA  57          2HB       ALA  57   8.691 -16.261   8.968
  393   3HB   ALA  57          3HB       ALA  57   8.865 -16.127  10.719
  394    H    LEU  58           H        LEU  58   6.898 -12.326  10.366
  395    HA   LEU  58           HA       LEU  58   9.683 -11.617  11.021
  396   1HB   LEU  58          2HB       LEU  58   8.542 -10.485   9.068
  397   2HB   LEU  58          1HB       LEU  58   7.464  -9.734  10.229
  398    HG   LEU  58           HG       LEU  58  10.172  -9.274  11.040
  399   1HD1  LEU  58          1HD1      LEU  58   9.764  -7.931   8.447
  400   2HD1  LEU  58          2HD1      LEU  58  11.250  -8.472   9.230
  401   3HD1  LEU  58          3HD1      LEU  58  10.222  -9.632   8.387
  402   1HD2  LEU  58          1HD2      LEU  58   9.429  -7.123  11.318
  403   2HD2  LEU  58          2HD2      LEU  58   8.416  -7.167   9.874
  404   3HD2  LEU  58          3HD2      LEU  58   7.895  -7.995  11.343
  405    H    LYS  59           H        LYS  59  10.163 -10.937  13.006
  406    HA   LYS  59           HA       LYS  59   7.966 -10.592  14.918
  407   1HB   LYS  59          2HB       LYS  59  10.370 -11.944  15.104
  408   2HB   LYS  59          1HB       LYS  59  10.686 -10.451  15.977
  409   1HG   LYS  59          2HG       LYS  59   8.137 -11.746  16.631
  410   2HG   LYS  59          1HG       LYS  59   9.581 -12.666  17.062
  411   1HD   LYS  59          2HD       LYS  59  10.013  -9.955  17.795
  412   2HD   LYS  59          1HD       LYS  59   8.428 -10.441  18.402
  413   1HE   LYS  59          2HE       LYS  59   9.437 -12.392  19.471
  414   2HE   LYS  59          1HE       LYS  59  11.019 -11.913  18.856
  415   1HZ   LYS  59          1HZ       LYS  59  10.926  -9.917  20.170
  416   2HZ   LYS  59          2HZ       LYS  59  10.664 -11.262  21.177
  417   3HZ   LYS  59          3HZ       LYS  59   9.357 -10.285  20.704
  418    H    GLY  60           H        GLY  60   7.773  -8.741  16.179
  419   1HA   GLY  60          1HA       GLY  60   8.723  -6.588  16.894
  420   2HA   GLY  60          2HA       GLY  60   9.391  -6.434  15.273
  421    H    LYS  61           H        LYS  61   6.163  -7.544  16.146
  422    HA   LYS  61           HA       LYS  61   5.021  -5.563  14.361
  423   1HB   LYS  61          2HB       LYS  61   4.270  -7.940  14.348
  424   2HB   LYS  61          1HB       LYS  61   3.641  -7.718  15.974
  425   1HG   LYS  61          2HG       LYS  61   2.126  -5.965  15.099
  426   2HG   LYS  61          1HG       LYS  61   2.704  -6.331  13.472
  427   1HD   LYS  61          2HD       LYS  61   1.879  -8.594  13.641
  428   2HD   LYS  61          1HD       LYS  61   1.416  -8.332  15.324
  429   1HE   LYS  61          2HE       LYS  61  -0.569  -7.589  14.669
  430   2HE   LYS  61          1HE       LYS  61   0.211  -6.296  13.756
  431   1HZ   LYS  61          1HZ       LYS  61  -1.306  -8.135  12.619
  432   2HZ   LYS  61          2HZ       LYS  61   0.181  -8.942  12.528
  433   3HZ   LYS  61          3HZ       LYS  61   0.003  -7.412  11.820
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -16.665  16.580  13.283
    2   2H    GLY   1          2H        GLY   1 -16.284  16.997  11.683
    3   3H    GLY   1          3H        GLY   1 -15.641  15.583  12.370
    4   1HA   GLY   1          2HA       GLY   1 -18.076  14.885  12.674
    5   2HA   GLY   1          1HA       GLY   1 -18.397  16.136  11.482
    6    HA   PRO   2           HA       PRO   2 -15.948  12.526   9.420
    7   1HB   PRO   2          2HB       PRO   2 -16.370  10.087  10.478
    8   2HB   PRO   2          1HB       PRO   2 -15.116  11.171  11.092
    9   1HG   PRO   2          2HG       PRO   2 -17.838  10.606  12.191
   10   2HG   PRO   2          1HG       PRO   2 -16.301  10.803  13.053
   11   1HD   PRO   2          2HD       PRO   2 -18.198  12.774  12.824
   12   2HD   PRO   2          1HD       PRO   2 -16.470  13.082  13.074
   13    H    LEU   3           H        LEU   3 -18.137  13.510   8.473
   14    HA   LEU   3           HA       LEU   3 -20.284  11.617   8.199
   15   1HB   LEU   3          2HB       LEU   3 -19.793  14.084   6.536
   16   2HB   LEU   3          1HB       LEU   3 -21.311  13.236   6.761
   17    HG   LEU   3           HG       LEU   3 -20.044  14.299   9.214
   18   1HD1  LEU   3          1HD1      LEU   3 -21.069  16.037   6.999
   19   2HD1  LEU   3          2HD1      LEU   3 -21.148  16.543   8.686
   20   3HD1  LEU   3          3HD1      LEU   3 -19.586  16.197   7.940
   21   1HD2  LEU   3          1HD2      LEU   3 -22.871  14.455   8.183
   22   2HD2  LEU   3          2HD2      LEU   3 -22.236  13.112   9.132
   23   3HD2  LEU   3          3HD2      LEU   3 -22.314  14.727   9.834
   24    H    GLY   4           H        GLY   4 -17.705  12.873   6.118
   25   1HA   GLY   4          1HA       GLY   4 -18.078  10.480   4.417
   26   2HA   GLY   4          2HA       GLY   4 -17.781  12.070   3.723
   27    H    SER   5           H        SER   5 -16.200  11.321   6.663
   28    HA   SER   5           HA       SER   5 -13.643  11.375   5.292
   29   1HB   SER   5          2HB       SER   5 -13.822  11.135   8.254
   30   2HB   SER   5          1HB       SER   5 -12.740  12.114   7.266
   31    HG   SER   5           HG       SER   5 -14.629  13.421   6.767
   32    H    ASP   6           H        ASP   6 -12.123   9.780   5.365
   33    HA   ASP   6           HA       ASP   6 -13.103   7.123   6.129
   34   1HB   ASP   6          2HB       ASP   6 -11.988   7.843   3.816
   35   2HB   ASP   6          1HB       ASP   6 -10.507   7.505   4.708
   36    H    HIS   7           H        HIS   7 -11.009   5.678   6.734
   37    HA   HIS   7           HA       HIS   7  -9.756   7.079   8.996
   38   1HB   HIS   7          2HB       HIS   7  -9.918   5.192  10.254
   39   2HB   HIS   7          1HB       HIS   7 -11.197   4.795   9.122
   40    HD2  HIS   7           2HD      HIS   7  -9.528   3.447   6.712
   41    HE1  HIS   7           1HE      HIS   7  -7.865   1.033   9.766
   42    HE2  HIS   7           2HE      HIS   7  -8.358   1.199   7.285
   43    H    HIS   8           H        HIS   8  -9.254   5.945   5.939
   44    HA   HIS   8           HA       HIS   8  -6.393   5.501   6.252
   45   1HB   HIS   8          2HB       HIS   8  -8.384   5.148   4.061
   46   2HB   HIS   8          1HB       HIS   8  -6.717   5.483   3.599
   47    HD2  HIS   8           2HD      HIS   8  -5.127   3.637   5.672
   48    HE1  HIS   8           1HE      HIS   8  -7.619   0.541   4.243
   49    HE2  HIS   8           2HE      HIS   8  -5.533   1.077   5.574
   50    H    MET   9           H        MET   9  -4.858   6.854   5.335
   51    HA   MET   9           HA       MET   9  -5.439   9.632   5.408
   52   1HB   MET   9          2HB       MET   9  -2.990   8.283   4.258
   53   2HB   MET   9          1HB       MET   9  -3.122   9.964   4.753
   54   1HG   MET   9          2HG       MET   9  -2.784   9.489   6.910
   55   2HG   MET   9          1HG       MET   9  -3.778   8.033   6.850
   56   1HE   MET   9          1HE       MET   9  -1.165   8.571   8.469
   57   2HE   MET   9          2HE       MET   9  -1.748   6.914   8.610
   58   3HE   MET   9          3HE       MET   9  -0.059   7.223   8.201
   59    H    GLU  10           H        GLU  10  -5.811  11.068   3.809
   60    HA   GLU  10           HA       GLU  10  -6.783  10.088   1.312
   61   1HB   GLU  10          2HB       GLU  10  -6.187  12.985   1.712
   62   2HB   GLU  10          1HB       GLU  10  -7.568  12.228   0.934
   63   1HG   GLU  10          2HG       GLU  10  -8.532  13.047   2.830
   64   2HG   GLU  10          1HG       GLU  10  -8.117  11.417   3.353
   65    H    PHE  11           H        PHE  11  -3.732  10.826   2.421
   66    HA   PHE  11           HA       PHE  11  -2.680  10.856  -0.307
   67   1HB   PHE  11          2HB       PHE  11  -0.931  12.456   0.359
   68   2HB   PHE  11          1HB       PHE  11  -2.531  13.168   0.537
   69    HD1  PHE  11           1HD      PHE  11   0.510  12.182   2.211
   70    HD2  PHE  11           2HD      PHE  11  -3.512  13.426   2.810
   71    HE1  PHE  11           1HE      PHE  11   1.035  12.736   4.548
   72    HE2  PHE  11           2HE      PHE  11  -2.997  13.985   5.148
   73    HZ   PHE  11           HZ       PHE  11  -0.721  13.643   6.018
   74    H    CYS  12           H        CYS  12  -0.556   9.878  -0.463
   75    HA   CYS  12           HA       CYS  12  -0.192   7.781   1.469
   76   1HB   CYS  12          2HB       CYS  12   0.733   6.798  -0.315
   77   2HB   CYS  12          1HB       CYS  12   0.690   8.311  -1.213
   78    HG   CYS  12           HG       CYS  12   3.149   8.885  -1.102
   79    H    ARG  13           H        ARG  13   1.101   7.776   3.144
   80    HA   ARG  13           HA       ARG  13   1.894  10.021   4.414
   81   1HB   ARG  13          2HB       ARG  13   2.012   7.315   4.923
   82   2HB   ARG  13          1HB       ARG  13   3.702   7.797   4.996
   83   1HG   ARG  13          2HG       ARG  13   2.648   9.736   6.495
   84   2HG   ARG  13          1HG       ARG  13   1.452   8.471   6.785
   85   1HD   ARG  13          2HD       ARG  13   4.422   8.074   7.083
   86   2HD   ARG  13          1HD       ARG  13   3.359   8.529   8.414
   87    HE   ARG  13           HE       ARG  13   3.339   5.959   6.979
   88   1HH1  ARG  13          2HH1      ARG  13   2.244   7.962   9.633
   89   2HH1  ARG  13          1HH1      ARG  13   1.662   6.620  10.577
   90   1HH2  ARG  13          2HH2      ARG  13   2.585   4.188   8.217
   91   2HH2  ARG  13          1HH2      ARG  13   1.869   4.473   9.782
   92    H    VAL  14           H        VAL  14   3.974   8.074   2.315
   93    HA   VAL  14           HA       VAL  14   6.310   9.572   2.931
   94    HB   VAL  14           HB       VAL  14   5.978   7.694   0.605
   95   1HG1  VAL  14          1HG1      VAL  14   8.117   9.244   1.370
   96   2HG1  VAL  14          2HG1      VAL  14   8.463   7.693   2.136
   97   3HG1  VAL  14          3HG1      VAL  14   8.210   7.777   0.393
   98   1HG2  VAL  14          1HG2      VAL  14   7.154   6.365   2.788
   99   2HG2  VAL  14          2HG2      VAL  14   5.706   7.160   3.406
  100   3HG2  VAL  14          3HG2      VAL  14   5.587   6.046   2.044
  101    H    CYS  15           H        CYS  15   3.995   9.677   0.299
  102    HA   CYS  15           HA       CYS  15   5.593  11.436  -1.341
  103   1HB   CYS  15          2HB       CYS  15   2.758  10.432  -1.478
  104   2HB   CYS  15          1HB       CYS  15   3.289  11.744  -2.518
  105    H    LYS  16           H        LYS  16   3.008  11.656   0.962
  106    HA   LYS  16           HA       LYS  16   1.891  13.373   1.959
  107   1HB   LYS  16          2HB       LYS  16   4.086  15.002   0.701
  108   2HB   LYS  16          1HB       LYS  16   2.673  15.789   1.395
  109   1HG   LYS  16          2HG       LYS  16   3.595  13.920   3.295
  110   2HG   LYS  16          1HG       LYS  16   5.004  14.803   2.700
  111   1HD   LYS  16          2HD       LYS  16   4.340  16.208   4.377
  112   2HD   LYS  16          1HD       LYS  16   3.407  16.877   3.036
  113   1HE   LYS  16          2HE       LYS  16   1.708  14.972   3.945
  114   2HE   LYS  16          1HE       LYS  16   2.511  15.440   5.443
  115   1HZ   LYS  16          1HZ       LYS  16   1.261  17.245   5.516
  116   2HZ   LYS  16          2HZ       LYS  16   0.472  16.783   4.085
  117   3HZ   LYS  16          3HZ       LYS  16   1.855  17.762   4.012
  118    H    ASP  17           H        ASP  17   1.835  12.218  -0.827
  119    HA   ASP  17           HA       ASP  17  -0.284  13.924  -1.891
  120   1HB   ASP  17          2HB       ASP  17   1.565  14.416  -3.331
  121   2HB   ASP  17          1HB       ASP  17   2.030  12.720  -3.411
  122    H    GLY  18           H        GLY  18  -1.997  12.801  -2.837
  123   1HA   GLY  18          1HA       GLY  18  -1.825   9.861  -2.662
  124   2HA   GLY  18          2HA       GLY  18  -3.144  10.729  -1.890
  125    H    GLY  19           H        GLY  19  -1.570  10.941  -5.091
  126   1HA   GLY  19          1HA       GLY  19  -3.983  11.417  -6.484
  127   2HA   GLY  19          2HA       GLY  19  -2.477  10.879  -7.208
  128    H    GLU  20           H        GLU  20  -1.940   8.581  -6.390
  129    HA   GLU  20           HA       GLU  20  -4.334   6.868  -6.532
  130   1HB   GLU  20          2HB       GLU  20  -1.465   6.267  -7.300
  131   2HB   GLU  20          1HB       GLU  20  -2.694   5.025  -7.105
  132   1HG   GLU  20          2HG       GLU  20  -3.456   7.209  -8.894
  133   2HG   GLU  20          1HG       GLU  20  -2.072   6.263  -9.440
  134    H    LEU  21           H        LEU  21  -4.064   4.927  -4.988
  135    HA   LEU  21           HA       LEU  21  -2.096   5.311  -2.928
  136   1HB   LEU  21          2HB       LEU  21  -4.911   6.106  -2.546
  137   2HB   LEU  21          1HB       LEU  21  -4.165   5.208  -1.231
  138    HG   LEU  21           HG       LEU  21  -2.933   7.668  -2.451
  139   1HD1  LEU  21          1HD1      LEU  21  -4.755   7.424  -0.074
  140   2HD1  LEU  21          2HD1      LEU  21  -3.673   8.793  -0.342
  141   3HD1  LEU  21          3HD1      LEU  21  -4.958   8.443  -1.501
  142   1HD2  LEU  21          1HD2      LEU  21  -1.781   5.754  -0.946
  143   2HD2  LEU  21          2HD2      LEU  21  -1.287   7.448  -0.948
  144   3HD2  LEU  21          3HD2      LEU  21  -2.368   6.847   0.310
  145    H    LEU  22           H        LEU  22  -1.576   3.602  -1.848
  146    HA   LEU  22           HA       LEU  22  -3.207   1.166  -2.118
  147   1HB   LEU  22          2HB       LEU  22  -0.740   1.420  -3.156
  148   2HB   LEU  22          1HB       LEU  22  -0.295   0.994  -1.516
  149    HG   LEU  22           HG       LEU  22  -1.752  -1.053  -1.761
  150   1HD1  LEU  22          1HD1      LEU  22  -1.639  -0.339  -4.687
  151   2HD1  LEU  22          2HD1      LEU  22  -2.366  -1.777  -3.969
  152   3HD1  LEU  22          3HD1      LEU  22  -3.074  -0.189  -3.673
  153   1HD2  LEU  22          1HD2      LEU  22   0.099  -1.708  -3.777
  154   2HD2  LEU  22          2HD2      LEU  22   0.864  -0.484  -2.764
  155   3HD2  LEU  22          3HD2      LEU  22   0.248  -1.969  -2.039
  156    H    CYS  23           H        CYS  23  -4.231   0.978  -0.220
  157    HA   CYS  23           HA       CYS  23  -2.813   1.849   2.207
  158   1HB   CYS  23          2HB       CYS  23  -5.785   1.557   2.050
  159   2HB   CYS  23          1HB       CYS  23  -4.825   2.667   3.023
  160    HG   CYS  23           HG       CYS  23  -5.963   3.001  -0.130
  161    H    CYS  24           H        CYS  24  -2.717   0.587   3.998
  162    HA   CYS  24           HA       CYS  24  -2.909  -2.215   3.696
  163   1HB   CYS  24          2HB       CYS  24  -1.329  -0.989   5.215
  164   2HB   CYS  24          1HB       CYS  24  -2.689  -0.642   6.269
  165    H    ASP  25           H        ASP  25  -4.418  -3.661   4.380
  166    HA   ASP  25           HA       ASP  25  -7.052  -2.649   5.029
  167   1HB   ASP  25          2HB       ASP  25  -6.605  -4.689   3.562
  168   2HB   ASP  25          1HB       ASP  25  -6.197  -5.543   5.049
  169    H    THR  26           H        THR  26  -4.250  -3.541   6.655
  170    HA   THR  26           HA       THR  26  -5.657  -4.148   9.148
  171    HB   THR  26           HB       THR  26  -2.785  -4.088   9.406
  172    HG1  THR  26           1HG      THR  26  -2.652  -4.609   7.235
  173   1HG2  THR  26          1HG2      THR  26  -4.773  -5.387  10.604
  174   2HG2  THR  26          2HG2      THR  26  -3.131  -6.029  10.556
  175   3HG2  THR  26          3HG2      THR  26  -4.340  -6.617   9.415
  176    H    CYS  27           H        CYS  27  -3.291  -1.878   7.778
  177    HA   CYS  27           HA       CYS  27  -3.451  -0.235  10.191
  178   1HB   CYS  27          2HB       CYS  27  -1.723   0.103   7.730
  179   2HB   CYS  27          1HB       CYS  27  -1.584   1.009   9.230
  180    HA   PRO  28           HA       PRO  28  -5.919   2.864   8.081
  181   1HB   PRO  28          2HB       PRO  28  -5.203   4.894   9.915
  182   2HB   PRO  28          1HB       PRO  28  -6.606   3.831  10.018
  183   1HG   PRO  28          2HG       PRO  28  -4.430   3.859  11.777
  184   2HG   PRO  28          1HG       PRO  28  -5.656   2.586  11.651
  185   1HD   PRO  28          2HD       PRO  28  -2.901   2.691  10.514
  186   2HD   PRO  28          1HD       PRO  28  -3.822   1.301  11.129
  187    H    SER  29           H        SER  29  -2.929   2.441   7.542
  188    HA   SER  29           HA       SER  29  -2.169   5.188   6.851
  189   1HB   SER  29          2HB       SER  29  -0.178   3.015   6.589
  190   2HB   SER  29          1HB       SER  29  -0.004   4.628   7.278
  191    HG   SER  29           HG       SER  29  -1.109   3.867   9.143
  192    H    SER  30           H        SER  30  -1.684   5.773   4.804
  193    HA   SER  30           HA       SER  30  -2.175   3.770   2.710
  194   1HB   SER  30          2HB       SER  30  -2.375   6.652   2.047
  195   2HB   SER  30          1HB       SER  30  -3.385   5.303   1.528
  196    HG   SER  30           HG       SER  30  -4.411   6.834   2.978
  197    H    TYR  31           H        TYR  31  -0.612   3.386   1.271
  198    HA   TYR  31           HA       TYR  31   1.698   5.220   1.176
  199   1HB   TYR  31          2HB       TYR  31   1.789   2.194   1.150
  200   2HB   TYR  31          1HB       TYR  31   3.175   3.262   0.980
  201    HD1  TYR  31           1HD      TYR  31   3.629   4.880   2.960
  202    HD2  TYR  31           2HD      TYR  31   1.194   1.404   3.242
  203    HE1  TYR  31           1HE      TYR  31   3.967   4.846   5.397
  204    HE2  TYR  31           2HE      TYR  31   1.521   1.361   5.676
  205    HH   TYR  31           HH       TYR  31   3.096   2.149   7.327
  206    H    HIS  32           H        HIS  32   3.064   3.497  -0.663
  207    HA   HIS  32           HA       HIS  32   1.312   3.191  -2.962
  208   1HB   HIS  32          2HB       HIS  32   3.708   4.996  -2.863
  209   2HB   HIS  32          1HB       HIS  32   3.378   4.102  -4.342
  210    HD2  HIS  32           2HD      HIS  32   0.447   4.563  -5.060
  211    HE1  HIS  32           1HE      HIS  32   0.934   8.618  -3.946
  212    HE2  HIS  32           2HE      HIS  32  -0.623   6.921  -4.988
  213    H    ILE  33           H        ILE  33   2.903   2.076  -4.763
  214    HA   ILE  33           HA       ILE  33   3.869  -0.265  -3.407
  215    HB   ILE  33           HB       ILE  33   4.621  -0.942  -5.760
  216   1HG1  ILE  33          2HG1      ILE  33   2.763   1.260  -6.624
  217   1HG2  ILE  33          1HG2      ILE  33   1.710  -0.475  -5.827
  218   2HG2  ILE  33          2HG2      ILE  33   2.631  -1.965  -6.027
  219   3HG2  ILE  33          3HG2      ILE  33   2.343  -1.317  -4.413
  220   1HD1  ILE  33          1HD1      ILE  33   4.377  -0.782  -7.979
  221   2HD1  ILE  33          2HD1      ILE  33   2.893   0.027  -8.488
  222   3HD1  ILE  33          3HD1      ILE  33   4.448   0.839  -8.677
  223    H    HIS  34           H        HIS  34   5.298   2.678  -4.268
  224    HA   HIS  34           HA       HIS  34   7.946   1.492  -3.826
  225   1HB   HIS  34          2HB       HIS  34   8.937   3.257  -5.251
  226   2HB   HIS  34          1HB       HIS  34   7.875   2.172  -6.139
  227    HD2  HIS  34           2HD      HIS  34   5.537   4.565  -4.530
  228    HE1  HIS  34           1HE      HIS  34   6.725   6.408  -8.147
  229    HE2  HIS  34           2HE      HIS  34   5.187   6.573  -6.137
  230    H    CYS  35           H        CYS  35   5.809   2.896  -2.135
  231    HA   CYS  35           HA       CYS  35   7.652   4.840  -0.932
  232   1HB   CYS  35          2HB       CYS  35   4.643   4.894  -0.612
  233   2HB   CYS  35          1HB       CYS  35   5.800   6.119  -0.101
  234    H    LEU  36           H        LEU  36   7.765   2.097  -0.562
  235    HA   LEU  36           HA       LEU  36   7.321   1.987   2.340
  236   1HB   LEU  36          2HB       LEU  36   7.513  -0.630   1.039
  237   2HB   LEU  36          1HB       LEU  36   6.420  -0.082   2.297
  238    HG   LEU  36           HG       LEU  36   5.750   1.086  -0.268
  239   1HD1  LEU  36          1HD1      LEU  36   6.071  -0.661  -1.605
  240   2HD1  LEU  36          2HD1      LEU  36   6.500  -1.707  -0.253
  241   3HD1  LEU  36          3HD1      LEU  36   4.808  -1.487  -0.693
  242   1HD2  LEU  36          1HD2      LEU  36   3.573  -0.159   0.375
  243   2HD2  LEU  36          2HD2      LEU  36   4.400  -0.472   1.902
  244   3HD2  LEU  36          3HD2      LEU  36   4.118   1.187   1.374
  245    H    ASN  37           H        ASN  37   8.842  -0.225   2.928
  246    HA   ASN  37           HA       ASN  37  11.499   0.710   2.281
  247   1HB   ASN  37          2HB       ASN  37  11.039  -0.098   4.555
  248   2HB   ASN  37          1HB       ASN  37  10.659  -1.692   3.911
  249   1HD2  ASN  37          1HD2      ASN  37  13.105   0.437   4.944
  250   2HD2  ASN  37          2HD2      ASN  37  14.461  -0.598   4.621
  251    HA   PRO  38           HA       PRO  38  11.669  -3.211  -0.331
  252   1HB   PRO  38          2HB       PRO  38   9.642  -5.096   0.026
  253   2HB   PRO  38          1HB       PRO  38  11.213  -5.114   0.828
  254   1HG   PRO  38          2HG       PRO  38   8.691  -4.724   2.047
  255   2HG   PRO  38          1HG       PRO  38  10.277  -4.549   2.806
  256   1HD   PRO  38          2HD       PRO  38   8.467  -2.475   1.673
  257   2HD   PRO  38          1HD       PRO  38   9.595  -2.371   3.045
  258    HA   PRO  39           HA       PRO  39   8.686  -1.104  -3.020
  259   1HB   PRO  39          2HB       PRO  39  10.637  -1.966  -5.076
  260   2HB   PRO  39          1HB       PRO  39   9.991  -0.357  -4.738
  261   1HG   PRO  39          2HG       PRO  39  12.492  -0.989  -4.069
  262   2HG   PRO  39          1HG       PRO  39  11.493   0.031  -3.017
  263   1HD   PRO  39          2HD       PRO  39  12.175  -2.871  -2.752
  264   2HD   PRO  39          1HD       PRO  39  12.077  -1.615  -1.499
  265    H    LEU  40           H        LEU  40   6.948  -1.936  -3.932
  266    HA   LEU  40           HA       LEU  40   7.027  -4.699  -4.931
  267   1HB   LEU  40          2HB       LEU  40   4.671  -2.971  -4.159
  268   2HB   LEU  40          1HB       LEU  40   4.559  -4.609  -4.774
  269    HG   LEU  40           HG       LEU  40   6.021  -3.928  -2.228
  270   1HD1  LEU  40          1HD1      LEU  40   3.789  -3.237  -1.833
  271   2HD1  LEU  40          2HD1      LEU  40   3.135  -4.660  -2.646
  272   3HD1  LEU  40          3HD1      LEU  40   3.971  -4.832  -1.103
  273   1HD2  LEU  40          1HD2      LEU  40   6.397  -6.108  -3.546
  274   2HD2  LEU  40          2HD2      LEU  40   6.067  -6.212  -1.816
  275   3HD2  LEU  40          3HD2      LEU  40   4.785  -6.547  -2.981
  276    HA   PRO  41           HA       PRO  41   7.062  -2.753  -8.901
  277   1HB   PRO  41          2HB       PRO  41   6.684  -5.457  -9.991
  278   2HB   PRO  41          1HB       PRO  41   8.052  -4.355 -10.170
  279   1HG   PRO  41          2HG       PRO  41   8.223  -6.574  -8.669
  280   2HG   PRO  41          1HG       PRO  41   9.063  -5.075  -8.223
  281   1HD   PRO  41          2HD       PRO  41   6.499  -6.203  -7.150
  282   2HD   PRO  41          1HD       PRO  41   7.854  -5.458  -6.271
  283    H    GLU  42           H        GLU  42   4.541  -4.973  -7.930
  284    HA   GLU  42           HA       GLU  42   2.791  -3.839 -10.010
  285   1HB   GLU  42          2HB       GLU  42   1.856  -6.315  -8.766
  286   2HB   GLU  42          1HB       GLU  42   1.956  -5.877 -10.464
  287   1HG   GLU  42          2HG       GLU  42   4.481  -6.304 -10.200
  288   2HG   GLU  42          1HG       GLU  42   4.022  -7.158  -8.726
  289    H    ILE  43           H        ILE  43   0.795  -3.110  -9.474
  290    HA   ILE  43           HA       ILE  43   0.332  -2.515  -6.665
  291    HB   ILE  43           HB       ILE  43  -1.824  -1.443  -7.762
  292   1HG1  ILE  43          2HG1      ILE  43  -0.056  -0.982 -10.096
  293   1HG2  ILE  43          1HG2      ILE  43  -0.555   0.145  -6.805
  294   2HG2  ILE  43          2HG2      ILE  43   0.946  -0.497  -7.474
  295   3HG2  ILE  43          3HG2      ILE  43  -0.108   0.504  -8.473
  296   1HD1  ILE  43          1HD1      ILE  43  -1.969  -0.581 -11.265
  297   2HD1  ILE  43          2HD1      ILE  43  -2.938  -1.672 -10.274
  298   3HD1  ILE  43          3HD1      ILE  43  -2.469  -0.092  -9.646
  299    HA   PRO  44           HA       PRO  44  -2.102  -6.282  -6.449
  300   1HB   PRO  44          2HB       PRO  44  -2.585  -5.382  -3.682
  301   2HB   PRO  44          1HB       PRO  44  -1.849  -6.881  -4.262
  302   1HG   PRO  44          2HG       PRO  44  -0.376  -4.970  -3.102
  303   2HG   PRO  44          1HG       PRO  44   0.254  -5.934  -4.452
  304   1HD   PRO  44          2HD       PRO  44  -0.851  -3.146  -4.465
  305   2HD   PRO  44          1HD       PRO  44   0.570  -3.798  -5.312
  306    H    ASN  45           H        ASN  45  -4.101  -6.360  -7.218
  307    HA   ASN  45           HA       ASN  45  -5.962  -4.189  -6.848
  308   1HB   ASN  45          2HB       ASN  45  -5.931  -5.281  -8.994
  309   2HB   ASN  45          1HB       ASN  45  -6.187  -6.858  -8.254
  310   1HD2  ASN  45          1HD2      ASN  45  -8.183  -7.588  -8.149
  311   2HD2  ASN  45          2HD2      ASN  45  -9.623  -6.643  -8.367
  312    H    GLY  46           H        GLY  46  -7.566  -4.049  -5.419
  313   1HA   GLY  46          1HA       GLY  46  -9.321  -4.962  -4.092
  314   2HA   GLY  46          2HA       GLY  46  -8.423  -6.470  -3.991
  315    H    GLU  47           H        GLU  47  -7.944  -6.807  -1.932
  316    HA   GLU  47           HA       GLU  47  -7.263  -4.547  -0.216
  317   1HB   GLU  47          2HB       GLU  47  -7.304  -6.371   1.582
  318   2HB   GLU  47          1HB       GLU  47  -8.835  -5.952   0.827
  319   1HG   GLU  47          2HG       GLU  47  -8.776  -7.914  -0.533
  320   2HG   GLU  47          1HG       GLU  47  -7.133  -8.285  -0.010
  321    H    TRP  48           H        TRP  48  -5.268  -4.144   0.528
  322    HA   TRP  48           HA       TRP  48  -3.213  -6.218   0.246
  323   1HB   TRP  48          2HB       TRP  48  -2.753  -4.927  -1.659
  324   2HB   TRP  48          1HB       TRP  48  -3.214  -3.424  -0.871
  325    HD1  TRP  48           HD       TRP  48  -0.256  -5.788  -1.317
  326    HE1  TRP  48           1HE      TRP  48   1.871  -4.614  -0.466
  327    HE3  TRP  48           3HE      TRP  48  -2.402  -1.677   0.793
  328    HZ2  TRP  48           2HZ      TRP  48   2.545  -2.244   0.920
  329    HZ3  TRP  48           3HZ      TRP  48  -0.966  -0.010   1.866
  330    HH2  TRP  48           HH       TRP  48   1.461  -0.281   1.931
  331    H    LEU  49           H        LEU  49  -1.456  -5.964   1.748
  332    HA   LEU  49           HA       LEU  49  -1.904  -4.004   3.887
  333   1HB   LEU  49          2HB       LEU  49  -0.776  -6.442   4.940
  334   2HB   LEU  49          1HB       LEU  49  -2.179  -5.545   5.483
  335    HG   LEU  49           HG       LEU  49  -2.655  -7.167   3.083
  336   1HD1  LEU  49          1HD1      LEU  49  -2.706  -9.284   4.249
  337   2HD1  LEU  49          2HD1      LEU  49  -1.076  -8.616   4.290
  338   3HD1  LEU  49          3HD1      LEU  49  -2.105  -8.519   5.718
  339   1HD2  LEU  49          1HD2      LEU  49  -4.374  -5.947   4.408
  340   2HD2  LEU  49          2HD2      LEU  49  -4.702  -7.670   4.216
  341   3HD2  LEU  49          3HD2      LEU  49  -4.064  -7.058   5.743
  342    H    CYS  50           H        CYS  50   0.045  -3.528   5.118
  343    HA   CYS  50           HA       CYS  50   2.225  -2.819   3.718
  344   1HB   CYS  50          2HB       CYS  50   2.396  -3.868   6.547
  345   2HB   CYS  50          1HB       CYS  50   3.499  -2.736   5.781
  346    HA   PRO  51           HA       PRO  51   4.737  -6.291   2.570
  347   1HB   PRO  51          2HB       PRO  51   7.094  -4.749   3.439
  348   2HB   PRO  51          1HB       PRO  51   6.681  -5.365   1.836
  349   1HG   PRO  51          2HG       PRO  51   6.553  -2.749   2.395
  350   2HG   PRO  51          1HG       PRO  51   5.375  -3.526   1.320
  351   1HD   PRO  51          2HD       PRO  51   5.082  -2.739   4.197
  352   2HD   PRO  51          1HD       PRO  51   3.922  -2.575   2.861
  353    H    ARG  52           H        ARG  52   4.450  -5.155   5.698
  354    HA   ARG  52           HA       ARG  52   5.843  -7.527   6.713
  355   1HB   ARG  52          2HB       ARG  52   6.381  -6.196   8.787
  356   2HB   ARG  52          1HB       ARG  52   7.261  -5.710   7.344
  357   1HG   ARG  52          2HG       ARG  52   5.199  -4.030   7.157
  358   2HG   ARG  52          1HG       ARG  52   5.216  -4.261   8.908
  359   1HD   ARG  52          2HD       ARG  52   7.886  -3.906   8.215
  360   2HD   ARG  52          1HD       ARG  52   7.013  -2.739   7.223
  361    HE   ARG  52           HE       ARG  52   6.049  -2.597   9.858
  362   1HH1  ARG  52          2HH1      ARG  52   8.948  -1.852   8.024
  363   2HH1  ARG  52          1HH1      ARG  52   9.457  -0.584   9.105
  364   1HH2  ARG  52          2HH2      ARG  52   6.671  -0.894  11.225
  365   2HH2  ARG  52          1HH2      ARG  52   8.161  -0.040  10.934
  366    H    CYS  53           H        CYS  53   2.969  -6.071   6.270
  367    HA   CYS  53           HA       CYS  53   1.739  -7.040   8.744
  368   1HB   CYS  53          2HB       CYS  53   0.830  -5.342   6.455
  369   2HB   CYS  53          1HB       CYS  53  -0.379  -6.245   7.363
  370    H    THR  54           H        THR  54   2.809  -8.171   5.909
  371    HA   THR  54           HA       THR  54   0.739 -10.002   5.157
  372    HB   THR  54           HB       THR  54   3.398 -10.727   4.269
  373    HG1  THR  54           1HG      THR  54   2.583  -7.995   4.027
  374   1HG2  THR  54          1HG2      THR  54   1.165 -11.144   3.159
  375   2HG2  THR  54          2HG2      THR  54   2.445 -10.529   2.114
  376   3HG2  THR  54          3HG2      THR  54   1.182  -9.446   2.696
  377    H    CYS  55           H        CYS  55   4.071 -10.559   6.302
  378    HA   CYS  55           HA       CYS  55   3.079 -12.867   7.848
  379   1HB   CYS  55          2HB       CYS  55   5.963 -12.609   7.091
  380   2HB   CYS  55          1HB       CYS  55   5.006 -14.061   7.368
  381    HG   CYS  55           HG       CYS  55   5.990 -13.186   4.565
  382    HA   PRO  56           HA       PRO  56   4.417  -9.762  10.862
  383   1HB   PRO  56          2HB       PRO  56   2.605 -10.336  12.767
  384   2HB   PRO  56          1HB       PRO  56   2.189  -9.423  11.312
  385   1HG   PRO  56          2HG       PRO  56   1.739 -12.316  11.928
  386   2HG   PRO  56          1HG       PRO  56   0.644 -11.153  11.158
  387   1HD   PRO  56          2HD       PRO  56   2.129 -12.973   9.766
  388   2HD   PRO  56          1HD       PRO  56   1.622 -11.408   9.101
  389    H    ALA  57           H        ALA  57   4.643 -13.122  10.968
  390    HA   ALA  57           HA       ALA  57   5.345 -13.597  13.655
  391   1HB   ALA  57          1HB       ALA  57   4.863 -15.459  12.232
  392   2HB   ALA  57          2HB       ALA  57   6.169 -15.024  11.128
  393   3HB   ALA  57          3HB       ALA  57   6.541 -15.601  12.754
  394    H    LEU  58           H        LEU  58   7.355 -12.930  10.815
  395    HA   LEU  58           HA       LEU  58   9.379 -11.768  12.591
  396   1HB   LEU  58          2HB       LEU  58   9.701 -14.035  10.754
  397   2HB   LEU  58          1HB       LEU  58  10.881 -12.762  10.517
  398    HG   LEU  58           HG       LEU  58  10.769 -13.211  13.296
  399   1HD1  LEU  58          1HD1      LEU  58   9.650 -15.349  12.748
  400   2HD1  LEU  58          2HD1      LEU  58  11.056 -15.800  11.783
  401   3HD1  LEU  58          3HD1      LEU  58  11.221 -15.560  13.522
  402   1HD2  LEU  58          1HD2      LEU  58  12.870 -12.709  12.710
  403   2HD2  LEU  58          2HD2      LEU  58  13.055 -14.437  12.425
  404   3HD2  LEU  58          3HD2      LEU  58  12.672 -13.358  11.084
  405    H    LYS  59           H        LYS  59   8.024  -9.921  11.839
  406    HA   LYS  59           HA       LYS  59   8.497  -9.143   9.063
  407   1HB   LYS  59          2HB       LYS  59   6.857  -7.352   9.517
  408   2HB   LYS  59          1HB       LYS  59   6.208  -8.952   9.838
  409   1HG   LYS  59          2HG       LYS  59   5.820  -8.475  11.980
  410   2HG   LYS  59          1HG       LYS  59   7.405  -7.727  12.190
  411   1HD   LYS  59          2HD       LYS  59   6.352  -5.765  12.298
  412   2HD   LYS  59          1HD       LYS  59   6.001  -5.949  10.579
  413   1HE   LYS  59          2HE       LYS  59   3.841  -6.572  10.947
  414   2HE   LYS  59          1HE       LYS  59   4.210  -7.329  12.495
  415   1HZ   LYS  59          1HZ       LYS  59   3.192  -4.751  12.003
  416   2HZ   LYS  59          2HZ       LYS  59   4.697  -4.597  12.767
  417   3HZ   LYS  59          3HZ       LYS  59   3.470  -5.514  13.489
  418    H    GLY  60           H        GLY  60   9.568  -8.474  12.251
  419   1HA   GLY  60          1HA       GLY  60  11.463  -7.244  12.841
  420   2HA   GLY  60          2HA       GLY  60  11.500  -6.560  11.222
  421    H    LYS  61           H        LYS  61  11.917  -4.546  12.365
  422    HA   LYS  61           HA       LYS  61   9.485  -3.055  12.692
  423   1HB   LYS  61          2HB       LYS  61  10.927  -4.003  15.030
  424   2HB   LYS  61          1HB       LYS  61  10.877  -2.247  14.977
  425   1HG   LYS  61          2HG       LYS  61   8.532  -2.199  15.016
  426   2HG   LYS  61          1HG       LYS  61   8.410  -3.914  14.621
  427   1HD   LYS  61          2HD       LYS  61   8.943  -4.582  16.758
  428   2HD   LYS  61          1HD       LYS  61   9.810  -3.088  17.121
  429   1HE   LYS  61          2HE       LYS  61   6.825  -3.454  16.910
  430   2HE   LYS  61          1HE       LYS  61   7.751  -3.142  18.378
  431   1HZ   LYS  61          1HZ       LYS  61   8.486  -1.050  16.974
  432   2HZ   LYS  61          2HZ       LYS  61   7.070  -1.045  17.909
  433   3HZ   LYS  61          3HZ       LYS  61   6.980  -1.308  16.234
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -16.562   9.190  15.252
    2   2H    GLY   1          2H        GLY   1 -15.282   8.721  14.251
    3   3H    GLY   1          3H        GLY   1 -15.991   7.598  15.304
    4   1HA   GLY   1          2HA       GLY   1 -18.054   8.604  13.749
    5   2HA   GLY   1          1HA       GLY   1 -16.721   8.246  12.657
    6    HA   PRO   2           HA       PRO   2 -18.856   4.238  13.325
    7   1HB   PRO   2          2HB       PRO   2 -18.862   3.429  10.773
    8   2HB   PRO   2          1HB       PRO   2 -20.028   4.618  11.369
    9   1HG   PRO   2          2HG       PRO   2 -17.511   5.050   9.809
   10   2HG   PRO   2          1HG       PRO   2 -19.098   5.816   9.606
   11   1HD   PRO   2          2HD       PRO   2 -16.985   6.969  10.927
   12   2HD   PRO   2          1HD       PRO   2 -18.687   7.364  11.236
   13    H    LEU   3           H        LEU   3 -16.383   4.352  14.224
   14    HA   LEU   3           HA       LEU   3 -14.556   3.086  14.664
   15   1HB   LEU   3          2HB       LEU   3 -16.305   1.281  13.349
   16   2HB   LEU   3          1HB       LEU   3 -14.696   1.009  12.709
   17    HG   LEU   3           HG       LEU   3 -15.366   0.989  15.654
   18   1HD1  LEU   3          1HD1      LEU   3 -16.225  -1.032  15.325
   19   2HD1  LEU   3          2HD1      LEU   3 -15.802  -0.990  13.613
   20   3HD1  LEU   3          3HD1      LEU   3 -14.627  -1.563  14.797
   21   1HD2  LEU   3          1HD2      LEU   3 -12.922   1.195  14.285
   22   2HD2  LEU   3          2HD2      LEU   3 -13.176   0.883  16.002
   23   3HD2  LEU   3          3HD2      LEU   3 -13.026  -0.463  14.875
   24    H    GLY   4           H        GLY   4 -14.981   2.559  11.162
   25   1HA   GLY   4          1HA       GLY   4 -12.221   3.425  10.740
   26   2HA   GLY   4          2HA       GLY   4 -13.259   2.647   9.553
   27    H    SER   5           H        SER   5 -13.211   5.614  11.504
   28    HA   SER   5           HA       SER   5 -14.647   7.038   9.437
   29   1HB   SER   5          2HB       SER   5 -13.625   8.680  11.604
   30   2HB   SER   5          1HB       SER   5 -15.295   8.356  11.135
   31    HG   SER   5           HG       SER   5 -13.649   7.005  12.979
   32    H    ASP   6           H        ASP   6 -11.385   6.563  10.392
   33    HA   ASP   6           HA       ASP   6 -10.554   8.782   8.632
   34   1HB   ASP   6          2HB       ASP   6  -9.973   9.083  11.059
   35   2HB   ASP   6          1HB       ASP   6  -8.967   7.642  10.939
   36    H    HIS   7           H        HIS   7  -8.925   5.978  10.066
   37    HA   HIS   7           HA       HIS   7  -7.596   4.365   9.193
   38   1HB   HIS   7          2HB       HIS   7  -9.964   3.924   8.169
   39   2HB   HIS   7          1HB       HIS   7  -9.205   4.425   6.662
   40    HD2  HIS   7           2HD      HIS   7  -6.480   2.603   8.299
   41    HE1  HIS   7           1HE      HIS   7  -8.773  -0.392   6.387
   42    HE2  HIS   7           2HE      HIS   7  -6.475   0.232   7.245
   43    H    HIS   8           H        HIS   8  -7.995   4.927   5.883
   44    HA   HIS   8           HA       HIS   8  -5.211   5.667   5.752
   45   1HB   HIS   8          2HB       HIS   8  -7.223   4.619   3.814
   46   2HB   HIS   8          1HB       HIS   8  -5.777   5.417   3.194
   47    HD2  HIS   8           2HD      HIS   8  -6.729   2.249   5.291
   48    HE1  HIS   8           1HE      HIS   8  -2.704   1.964   4.045
   49    HE2  HIS   8           2HE      HIS   8  -4.538   0.876   5.415
   50    H    MET   9           H        MET   9  -4.357   7.463   5.017
   51    HA   MET   9           HA       MET   9  -5.814   9.858   5.273
   52   1HB   MET   9          2HB       MET   9  -3.068   9.054   4.923
   53   2HB   MET   9          1HB       MET   9  -3.425  10.424   3.880
   54   1HG   MET   9          2HG       MET   9  -4.299  11.639   5.848
   55   2HG   MET   9          1HG       MET   9  -3.790  10.289   6.857
   56   1HE   MET   9          1HE       MET   9  -3.220  12.786   7.644
   57   2HE   MET   9          2HE       MET   9  -1.492  12.909   7.974
   58   3HE   MET   9          3HE       MET   9  -2.207  13.840   6.660
   59    H    GLU  10           H        GLU  10  -5.691  11.653   3.610
   60    HA   GLU  10           HA       GLU  10  -6.952  10.766   1.180
   61   1HB   GLU  10          2HB       GLU  10  -7.283  13.102   0.698
   62   2HB   GLU  10          1HB       GLU  10  -7.637  12.827   2.398
   63   1HG   GLU  10          2HG       GLU  10  -4.986  13.498   2.457
   64   2HG   GLU  10          1HG       GLU  10  -5.605  14.503   1.148
   65    H    PHE  11           H        PHE  11  -3.756  11.511   2.151
   66    HA   PHE  11           HA       PHE  11  -2.881  11.133  -0.616
   67   1HB   PHE  11          2HB       PHE  11  -0.862  12.574  -0.088
   68   2HB   PHE  11          1HB       PHE  11  -2.374  13.446  -0.273
   69    HD1  PHE  11           1HD      PHE  11  -3.351  14.631   1.556
   70    HD2  PHE  11           2HD      PHE  11   0.160  12.293   2.123
   71    HE1  PHE  11           1HE      PHE  11  -3.003  15.696   3.743
   72    HE2  PHE  11           2HE      PHE  11   0.510  13.350   4.315
   73    HZ   PHE  11           HZ       PHE  11  -1.072  15.055   5.128
   74    H    CYS  12           H        CYS  12  -0.671  10.180  -0.705
   75    HA   CYS  12           HA       CYS  12  -0.476   8.109   1.272
   76   1HB   CYS  12          2HB       CYS  12   0.359   7.121  -0.566
   77   2HB   CYS  12          1HB       CYS  12   0.705   8.665  -1.341
   78    HG   CYS  12           HG       CYS  12   3.190   8.556  -1.080
   79    H    ARG  13           H        ARG  13   0.921   7.899   2.877
   80    HA   ARG  13           HA       ARG  13   1.713  10.080   4.299
   81   1HB   ARG  13          2HB       ARG  13   1.411   7.734   5.093
   82   2HB   ARG  13          1HB       ARG  13   2.996   7.355   4.438
   83   1HG   ARG  13          2HG       ARG  13   4.021   8.937   5.959
   84   2HG   ARG  13          1HG       ARG  13   2.433   9.365   6.603
   85   1HD   ARG  13          2HD       ARG  13   3.743   6.650   6.723
   86   2HD   ARG  13          1HD       ARG  13   3.558   7.777   8.067
   87    HE   ARG  13           HE       ARG  13   1.090   6.969   6.778
   88   1HH1  ARG  13          2HH1      ARG  13   3.380   6.371   9.356
   89   2HH1  ARG  13          1HH1      ARG  13   2.245   5.486  10.332
   90   1HH2  ARG  13          2HH2      ARG  13  -0.420   5.839   8.074
   91   2HH2  ARG  13          1HH2      ARG  13   0.075   5.209   9.619
   92    H    VAL  14           H        VAL  14   3.950   7.974   2.472
   93    HA   VAL  14           HA       VAL  14   6.180   9.580   3.177
   94    HB   VAL  14           HB       VAL  14   6.098   7.437   1.057
   95   1HG1  VAL  14          1HG1      VAL  14   8.130   9.067   1.467
   96   2HG1  VAL  14          2HG1      VAL  14   8.439   7.970   2.814
   97   3HG1  VAL  14          3HG1      VAL  14   8.382   7.347   1.165
   98   1HG2  VAL  14          1HG2      VAL  14   5.350   6.192   2.794
   99   2HG2  VAL  14          2HG2      VAL  14   7.069   6.159   3.189
  100   3HG2  VAL  14          3HG2      VAL  14   5.997   7.295   4.007
  101    H    CYS  15           H        CYS  15   4.245   9.353   0.235
  102    HA   CYS  15           HA       CYS  15   6.056  11.026  -1.263
  103   1HB   CYS  15          2HB       CYS  15   3.242  10.116  -1.900
  104   2HB   CYS  15          1HB       CYS  15   4.291  10.993  -3.007
  105    H    LYS  16           H        LYS  16   3.254  11.413   0.729
  106    HA   LYS  16           HA       LYS  16   2.052  13.193   1.445
  107   1HB   LYS  16          2HB       LYS  16   4.284  14.801   0.183
  108   2HB   LYS  16          1HB       LYS  16   2.938  15.513   1.068
  109   1HG   LYS  16          2HG       LYS  16   3.676  14.719   3.101
  110   2HG   LYS  16          1HG       LYS  16   4.608  13.410   2.371
  111   1HD   LYS  16          2HD       LYS  16   5.291  16.338   2.155
  112   2HD   LYS  16          1HD       LYS  16   6.021  15.220   3.310
  113   1HE   LYS  16          2HE       LYS  16   6.785  13.836   1.392
  114   2HE   LYS  16          1HE       LYS  16   6.161  15.073   0.301
  115   1HZ   LYS  16          1HZ       LYS  16   7.677  16.606   1.771
  116   2HZ   LYS  16          2HZ       LYS  16   8.322  15.723   0.472
  117   3HZ   LYS  16          3HZ       LYS  16   8.505  15.154   2.056
  118    H    ASP  17           H        ASP  17   2.031  11.888  -1.226
  119    HA   ASP  17           HA       ASP  17   0.306  13.800  -2.610
  120   1HB   ASP  17          2HB       ASP  17   2.195  13.800  -3.996
  121   2HB   ASP  17          1HB       ASP  17   2.514  12.092  -3.714
  122    H    GLY  18           H        GLY  18  -1.586  13.023  -3.363
  123   1HA   GLY  18          1HA       GLY  18  -2.134  10.182  -2.763
  124   2HA   GLY  18          2HA       GLY  18  -3.310  11.481  -2.596
  125    H    GLY  19           H        GLY  19  -1.087  10.882  -5.293
  126   1HA   GLY  19          1HA       GLY  19  -3.100  11.201  -7.263
  127   2HA   GLY  19          2HA       GLY  19  -1.496  10.542  -7.536
  128    H    GLU  20           H        GLU  20  -1.979   8.576  -5.427
  129    HA   GLU  20           HA       GLU  20  -4.190   6.944  -6.140
  130   1HB   GLU  20          2HB       GLU  20  -1.871   6.500  -7.657
  131   2HB   GLU  20          1HB       GLU  20  -1.802   5.279  -6.393
  132   1HG   GLU  20          2HG       GLU  20  -3.500   4.106  -7.254
  133   2HG   GLU  20          1HG       GLU  20  -4.414   5.550  -7.687
  134    H    LEU  21           H        LEU  21  -4.056   4.911  -4.629
  135    HA   LEU  21           HA       LEU  21  -2.151   5.172  -2.499
  136   1HB   LEU  21          2HB       LEU  21  -4.905   6.178  -2.211
  137   2HB   LEU  21          1HB       LEU  21  -4.279   5.228  -0.870
  138    HG   LEU  21           HG       LEU  21  -2.756   7.528  -2.050
  139   1HD1  LEU  21          1HD1      LEU  21  -3.544   8.870  -0.141
  140   2HD1  LEU  21          2HD1      LEU  21  -4.815   8.480  -1.302
  141   3HD1  LEU  21          3HD1      LEU  21  -4.717   7.599   0.223
  142   1HD2  LEU  21          1HD2      LEU  21  -2.185   5.540  -0.133
  143   2HD2  LEU  21          2HD2      LEU  21  -1.189   6.908  -0.634
  144   3HD2  LEU  21          3HD2      LEU  21  -2.314   7.081   0.714
  145    H    LEU  22           H        LEU  22  -1.572   3.343  -1.840
  146    HA   LEU  22           HA       LEU  22  -3.270   0.976  -2.170
  147   1HB   LEU  22          2HB       LEU  22  -0.541   1.359  -2.335
  148   2HB   LEU  22          1HB       LEU  22  -0.735   0.666  -0.737
  149    HG   LEU  22           HG       LEU  22  -1.717  -1.322  -1.615
  150   1HD1  LEU  22          1HD1      LEU  22  -2.128   0.345  -4.012
  151   2HD1  LEU  22          2HD1      LEU  22  -1.711  -1.344  -4.298
  152   3HD1  LEU  22          3HD1      LEU  22  -3.126  -0.937  -3.328
  153   1HD2  LEU  22          1HD2      LEU  22   0.549  -1.630  -1.755
  154   2HD2  LEU  22          2HD2      LEU  22   0.079  -1.894  -3.434
  155   3HD2  LEU  22          3HD2      LEU  22   0.764  -0.346  -2.943
  156    H    CYS  23           H        CYS  23  -4.481   0.216  -0.543
  157    HA   CYS  23           HA       CYS  23  -4.064   1.444   2.101
  158   1HB   CYS  23          2HB       CYS  23  -6.754   0.483   1.225
  159   2HB   CYS  23          1HB       CYS  23  -6.336   1.792   2.328
  160    HG   CYS  23           HG       CYS  23  -5.147   2.716  -0.516
  161    H    CYS  24           H        CYS  24  -3.451   0.085   3.606
  162    HA   CYS  24           HA       CYS  24  -3.623  -2.726   3.476
  163   1HB   CYS  24          2HB       CYS  24  -1.982  -1.510   4.877
  164   2HB   CYS  24          1HB       CYS  24  -3.293  -0.957   5.905
  165    H    ASP  25           H        ASP  25  -4.943  -4.125   4.649
  166    HA   ASP  25           HA       ASP  25  -7.646  -3.138   5.112
  167   1HB   ASP  25          2HB       ASP  25  -7.022  -5.328   3.876
  168   2HB   ASP  25          1HB       ASP  25  -6.730  -5.983   5.482
  169    H    THR  26           H        THR  26  -4.828  -3.565   6.851
  170    HA   THR  26           HA       THR  26  -6.308  -3.980   9.364
  171    HB   THR  26           HB       THR  26  -3.434  -4.296   9.604
  172    HG1  THR  26           1HG      THR  26  -3.635  -5.030   7.427
  173   1HG2  THR  26          1HG2      THR  26  -5.055  -5.072  11.258
  174   2HG2  THR  26          2HG2      THR  26  -4.112  -6.424  10.626
  175   3HG2  THR  26          3HG2      THR  26  -5.765  -6.160  10.066
  176    H    CYS  27           H        CYS  27  -3.294  -2.419   8.257
  177    HA   CYS  27           HA       CYS  27  -3.579  -0.476  10.412
  178   1HB   CYS  27          2HB       CYS  27  -1.220  -0.292   8.665
  179   2HB   CYS  27          1HB       CYS  27  -1.323  -0.338  10.421
  180    HA   PRO  28           HA       PRO  28  -4.577   2.796   7.594
  181   1HB   PRO  28          2HB       PRO  28  -3.956   4.881   9.303
  182   2HB   PRO  28          1HB       PRO  28  -5.419   3.901   9.398
  183   1HG   PRO  28          2HG       PRO  28  -3.253   4.018  11.263
  184   2HG   PRO  28          1HG       PRO  28  -4.707   3.014  11.346
  185   1HD   PRO  28          2HD       PRO  28  -1.979   2.309  10.446
  186   2HD   PRO  28          1HD       PRO  28  -3.269   1.268  11.088
  187    H    SER  29           H        SER  29  -1.910   1.809   7.111
  188    HA   SER  29           HA       SER  29  -0.214   4.166   6.959
  189   1HB   SER  29          2HB       SER  29   0.904   1.806   5.725
  190   2HB   SER  29          1HB       SER  29   1.449   2.678   7.158
  191    HG   SER  29           HG       SER  29   0.131   0.324   6.982
  192    H    SER  30           H        SER  30  -1.495   5.303   5.390
  193    HA   SER  30           HA       SER  30  -2.096   4.273   2.839
  194   1HB   SER  30          2HB       SER  30  -1.773   7.143   2.814
  195   2HB   SER  30          1HB       SER  30  -3.254   6.191   2.710
  196    HG   SER  30           HG       SER  30  -1.938   7.178   5.011
  197    H    TYR  31           H        TYR  31  -0.546   3.533   1.524
  198    HA   TYR  31           HA       TYR  31   1.774   5.290   0.996
  199   1HB   TYR  31          2HB       TYR  31   1.727   2.274   1.265
  200   2HB   TYR  31          1HB       TYR  31   3.093   3.177   0.626
  201    HD1  TYR  31           1HD      TYR  31   3.160   5.470   2.534
  202    HD2  TYR  31           2HD      TYR  31   2.553   1.314   3.195
  203    HE1  TYR  31           1HE      TYR  31   4.082   5.699   4.803
  204    HE2  TYR  31           2HE      TYR  31   3.465   1.533   5.465
  205    HH   TYR  31           HH       TYR  31   4.984   3.042   6.691
  206    H    HIS  32           H        HIS  32   2.942   3.803  -0.990
  207    HA   HIS  32           HA       HIS  32   0.871   3.301  -3.022
  208   1HB   HIS  32          2HB       HIS  32   3.534   4.685  -3.387
  209   2HB   HIS  32          1HB       HIS  32   2.743   3.858  -4.721
  210    HD2  HIS  32           2HD      HIS  32   0.322   5.037  -5.577
  211    HE1  HIS  32           1HE      HIS  32   1.072   8.671  -3.566
  212    HE2  HIS  32           2HE      HIS  32  -0.095   7.591  -5.545
  213    H    ILE  33           H        ILE  33   3.670   2.637  -4.485
  214    HA   ILE  33           HA       ILE  33   3.858  -0.058  -3.313
  215    HB   ILE  33           HB       ILE  33   4.715  -0.735  -5.615
  216   1HG1  ILE  33          2HG1      ILE  33   3.494   1.952  -6.284
  217   1HG2  ILE  33          1HG2      ILE  33   1.857   0.120  -5.198
  218   2HG2  ILE  33          2HG2      ILE  33   2.397  -0.917  -6.519
  219   3HG2  ILE  33          3HG2      ILE  33   2.570  -1.456  -4.848
  220   1HD1  ILE  33          1HD1      ILE  33   4.390  -0.183  -8.205
  221   2HD1  ILE  33          2HD1      ILE  33   2.720   0.309  -7.919
  222   3HD1  ILE  33          3HD1      ILE  33   3.866   1.448  -8.622
  223    H    HIS  34           H        HIS  34   5.501   2.773  -3.431
  224    HA   HIS  34           HA       HIS  34   8.061   1.372  -3.139
  225   1HB   HIS  34          2HB       HIS  34   9.256   3.043  -4.425
  226   2HB   HIS  34          1HB       HIS  34   7.990   2.331  -5.413
  227    HD2  HIS  34           2HD      HIS  34   5.631   4.435  -4.146
  228    HE1  HIS  34           1HE      HIS  34   8.043   7.253  -6.177
  229    HE2  HIS  34           2HE      HIS  34   5.694   6.707  -5.398
  230    H    CYS  35           H        CYS  35   5.852   3.117  -1.651
  231    HA   CYS  35           HA       CYS  35   7.551   5.055  -0.324
  232   1HB   CYS  35          2HB       CYS  35   4.752   4.507   0.550
  233   2HB   CYS  35          1HB       CYS  35   5.557   6.054   0.247
  234    H    LEU  36           H        LEU  36   6.900   1.852  -0.051
  235    HA   LEU  36           HA       LEU  36   7.189   1.708   2.859
  236   1HB   LEU  36          2HB       LEU  36   7.118  -0.863   1.604
  237   2HB   LEU  36          1HB       LEU  36   5.963  -0.156   2.717
  238    HG   LEU  36           HG       LEU  36   5.555   0.968   0.111
  239   1HD1  LEU  36          1HD1      LEU  36   5.845  -0.716  -1.294
  240   2HD1  LEU  36          2HD1      LEU  36   6.432  -1.732   0.025
  241   3HD1  LEU  36          3HD1      LEU  36   4.710  -1.688  -0.355
  242   1HD2  LEU  36          1HD2      LEU  36   3.559   0.988   1.074
  243   2HD2  LEU  36          2HD2      LEU  36   3.451  -0.746   0.758
  244   3HD2  LEU  36          3HD2      LEU  36   4.080  -0.168   2.302
  245    H    ASN  37           H        ASN  37   8.561  -0.798   2.922
  246    HA   ASN  37           HA       ASN  37  11.229   0.153   2.383
  247   1HB   ASN  37          2HB       ASN  37  10.560  -1.205   4.434
  248   2HB   ASN  37          1HB       ASN  37  10.544  -2.611   3.372
  249   1HD2  ASN  37          1HD2      ASN  37  12.235  -3.595   4.465
  250   2HD2  ASN  37          2HD2      ASN  37  13.871  -3.034   4.326
  251    HA   PRO  38           HA       PRO  38  11.372  -3.236  -0.901
  252   1HB   PRO  38          2HB       PRO  38   9.463  -5.076  -1.184
  253   2HB   PRO  38          1HB       PRO  38  10.666  -5.202   0.105
  254   1HG   PRO  38          2HG       PRO  38   7.819  -4.342   0.245
  255   2HG   PRO  38          1HG       PRO  38   8.773  -5.265   1.416
  256   1HD   PRO  38          2HD       PRO  38   8.218  -2.520   1.526
  257   2HD   PRO  38          1HD       PRO  38   9.448  -3.378   2.474
  258    HA   PRO  39           HA       PRO  39   8.731  -0.836  -3.622
  259   1HB   PRO  39          2HB       PRO  39  10.337  -0.875  -5.784
  260   2HB   PRO  39          1HB       PRO  39  10.684   0.124  -4.368
  261   1HG   PRO  39          2HG       PRO  39  11.885  -2.477  -5.201
  262   2HG   PRO  39          1HG       PRO  39  12.656  -1.077  -4.438
  263   1HD   PRO  39          2HD       PRO  39  11.873  -3.377  -3.109
  264   2HD   PRO  39          1HD       PRO  39  12.141  -1.801  -2.341
  265    H    LEU  40           H        LEU  40   6.987  -1.627  -4.578
  266    HA   LEU  40           HA       LEU  40   7.157  -4.178  -6.021
  267   1HB   LEU  40          2HB       LEU  40   4.522  -2.907  -5.580
  268   2HB   LEU  40          1HB       LEU  40   4.990  -4.592  -5.455
  269    HG   LEU  40           HG       LEU  40   5.937  -2.684  -3.360
  270   1HD1  LEU  40          1HD1      LEU  40   3.806  -2.051  -2.998
  271   2HD1  LEU  40          2HD1      LEU  40   3.135  -3.420  -3.886
  272   3HD1  LEU  40          3HD1      LEU  40   3.686  -3.632  -2.225
  273   1HD2  LEU  40          1HD2      LEU  40   6.154  -4.564  -2.049
  274   2HD2  LEU  40          2HD2      LEU  40   4.912  -5.455  -2.932
  275   3HD2  LEU  40          3HD2      LEU  40   6.505  -5.216  -3.652
  276    HA   PRO  41           HA       PRO  41   6.884  -1.932  -9.795
  277   1HB   PRO  41          2HB       PRO  41   6.286  -3.953 -11.491
  278   2HB   PRO  41          1HB       PRO  41   7.877  -3.775 -10.741
  279   1HG   PRO  41          2HG       PRO  41   5.609  -5.570  -9.977
  280   2HG   PRO  41          1HG       PRO  41   7.345  -5.920 -10.035
  281   1HD   PRO  41          2HD       PRO  41   6.015  -5.357  -7.728
  282   2HD   PRO  41          1HD       PRO  41   7.730  -4.982  -7.977
  283    H    GLU  42           H        GLU  42   4.149  -3.768  -8.658
  284    HA   GLU  42           HA       GLU  42   2.367  -1.964 -10.109
  285   1HB   GLU  42          2HB       GLU  42   2.650  -4.833 -10.595
  286   2HB   GLU  42          1HB       GLU  42   0.997  -4.353 -10.234
  287   1HG   GLU  42          2HG       GLU  42   2.424  -2.657 -12.167
  288   2HG   GLU  42          1HG       GLU  42   2.081  -4.304 -12.695
  289    H    ILE  43           H        ILE  43   0.123  -2.071  -9.267
  290    HA   ILE  43           HA       ILE  43   0.223  -2.285  -6.363
  291    HB   ILE  43           HB       ILE  43  -2.044  -1.191  -6.464
  292   1HG1  ILE  43          2HG1      ILE  43  -1.564  -0.279  -9.231
  293   1HG2  ILE  43          1HG2      ILE  43   0.543  -0.053  -7.150
  294   2HG2  ILE  43          2HG2      ILE  43  -0.809   0.930  -7.716
  295   3HG2  ILE  43          3HG2      ILE  43  -0.679   0.509  -6.008
  296   1HD1  ILE  43          1HD1      ILE  43  -4.068  -0.830  -9.324
  297   2HD1  ILE  43          2HD1      ILE  43  -3.940  -0.998  -7.574
  298   3HD1  ILE  43          3HD1      ILE  43  -3.536   0.536  -8.346
  299    HA   PRO  44           HA       PRO  44  -1.902  -6.216  -6.514
  300   1HB   PRO  44          2HB       PRO  44  -2.229  -5.868  -3.625
  301   2HB   PRO  44          1HB       PRO  44  -1.307  -7.094  -4.501
  302   1HG   PRO  44          2HG       PRO  44  -0.108  -5.145  -3.070
  303   2HG   PRO  44          1HG       PRO  44   0.607  -5.815  -4.547
  304   1HD   PRO  44          2HD       PRO  44  -0.893  -3.250  -4.162
  305   2HD   PRO  44          1HD       PRO  44   0.565  -3.571  -5.124
  306    H    ASN  45           H        ASN  45  -3.816  -5.567  -7.516
  307    HA   ASN  45           HA       ASN  45  -5.759  -3.915  -6.315
  308   1HB   ASN  45          2HB       ASN  45  -5.796  -4.107  -8.682
  309   2HB   ASN  45          1HB       ASN  45  -5.875  -5.864  -8.615
  310   1HD2  ASN  45          1HD2      ASN  45  -7.671  -2.951  -7.713
  311   2HD2  ASN  45          2HD2      ASN  45  -9.246  -3.644  -7.936
  312    H    GLY  46           H        GLY  46  -7.311  -4.299  -4.910
  313   1HA   GLY  46          1HA       GLY  46  -9.113  -5.865  -4.199
  314   2HA   GLY  46          2HA       GLY  46  -7.868  -7.108  -4.183
  315    H    GLU  47           H        GLU  47  -7.169  -7.597  -2.245
  316    HA   GLU  47           HA       GLU  47  -7.136  -5.506  -0.173
  317   1HB   GLU  47          2HB       GLU  47  -8.629  -7.178   0.568
  318   2HB   GLU  47          1HB       GLU  47  -7.603  -8.477  -0.023
  319   1HG   GLU  47          2HG       GLU  47  -5.964  -7.319   1.795
  320   2HG   GLU  47          1HG       GLU  47  -7.541  -7.023   2.523
  321    H    TRP  48           H        TRP  48  -5.226  -5.009   0.722
  322    HA   TRP  48           HA       TRP  48  -2.974  -6.838   0.480
  323   1HB   TRP  48          2HB       TRP  48  -2.556  -5.661  -1.511
  324   2HB   TRP  48          1HB       TRP  48  -3.170  -4.149  -0.861
  325    HD1  TRP  48           HD       TRP  48   0.006  -6.229  -1.113
  326    HE1  TRP  48           1HE      TRP  48   1.998  -4.840  -0.249
  327    HE3  TRP  48           3HE      TRP  48  -2.570  -2.253   0.789
  328    HZ2  TRP  48           2HZ      TRP  48   2.406  -2.383   1.082
  329    HZ3  TRP  48           3HZ      TRP  48  -1.318  -0.430   1.834
  330    HH2  TRP  48           HH       TRP  48   1.122  -0.480   1.975
  331    H    LEU  49           H        LEU  49  -1.388  -6.448   2.041
  332    HA   LEU  49           HA       LEU  49  -2.053  -4.395   4.049
  333   1HB   LEU  49          2HB       LEU  49  -0.503  -6.795   4.860
  334   2HB   LEU  49          1HB       LEU  49  -1.611  -5.814   5.793
  335    HG   LEU  49           HG       LEU  49  -2.606  -7.650   3.638
  336   1HD1  LEU  49          1HD1      LEU  49  -1.116  -8.592   5.698
  337   2HD1  LEU  49          2HD1      LEU  49  -2.729  -8.595   6.417
  338   3HD1  LEU  49          3HD1      LEU  49  -2.426  -9.486   4.924
  339   1HD2  LEU  49          1HD2      LEU  49  -3.929  -6.778   6.191
  340   2HD2  LEU  49          2HD2      LEU  49  -4.031  -5.836   4.704
  341   3HD2  LEU  49          3HD2      LEU  49  -4.671  -7.478   4.753
  342    H    CYS  50           H        CYS  50  -0.214  -3.481   5.155
  343    HA   CYS  50           HA       CYS  50   1.941  -2.747   3.544
  344   1HB   CYS  50          2HB       CYS  50   2.425  -2.791   6.470
  345   2HB   CYS  50          1HB       CYS  50   2.639  -1.484   5.315
  346    HA   PRO  51           HA       PRO  51   4.692  -6.190   3.753
  347   1HB   PRO  51          2HB       PRO  51   6.985  -4.361   4.022
  348   2HB   PRO  51          1HB       PRO  51   6.572  -5.460   2.701
  349   1HG   PRO  51          2HG       PRO  51   6.348  -2.808   2.427
  350   2HG   PRO  51          1HG       PRO  51   5.191  -3.922   1.674
  351   1HD   PRO  51          2HD       PRO  51   4.897  -2.308   4.189
  352   2HD   PRO  51          1HD       PRO  51   3.728  -2.569   2.876
  353    H    ARG  52           H        ARG  52   3.680  -5.207   6.336
  354    HA   ARG  52           HA       ARG  52   5.806  -6.320   8.020
  355   1HB   ARG  52          2HB       ARG  52   4.219  -4.119   9.235
  356   2HB   ARG  52          1HB       ARG  52   5.868  -4.627   9.563
  357   1HG   ARG  52          2HG       ARG  52   6.743  -3.324   7.900
  358   2HG   ARG  52          1HG       ARG  52   5.252  -3.336   6.954
  359   1HD   ARG  52          2HD       ARG  52   5.431  -1.971   9.622
  360   2HD   ARG  52          1HD       ARG  52   5.903  -1.160   8.129
  361    HE   ARG  52           HE       ARG  52   3.579  -1.614   7.351
  362   1HH1  ARG  52          2HH1      ARG  52   4.276  -1.531  10.787
  363   2HH1  ARG  52          1HH1      ARG  52   2.676  -1.019  11.225
  364   1HH2  ARG  52          2HH2      ARG  52   1.462  -0.999   7.919
  365   2HH2  ARG  52          1HH2      ARG  52   1.061  -0.760   9.600
  366    H    CYS  53           H        CYS  53   2.397  -5.520   7.580
  367    HA   CYS  53           HA       CYS  53   1.530  -7.010   9.887
  368   1HB   CYS  53          2HB       CYS  53  -0.718  -6.582   8.501
  369   2HB   CYS  53          1HB       CYS  53   0.054  -5.314   9.463
  370    H    THR  54           H        THR  54   2.671  -7.841   6.934
  371    HA   THR  54           HA       THR  54   0.928  -9.774   5.944
  372    HB   THR  54           HB       THR  54   3.431 -10.671   5.210
  373    HG1  THR  54           1HG      THR  54   4.482  -8.548   4.753
  374   1HG2  THR  54          1HG2      THR  54   3.054  -9.377   3.156
  375   2HG2  THR  54          2HG2      THR  54   1.807  -8.439   3.981
  376   3HG2  THR  54          3HG2      THR  54   1.575 -10.166   3.704
  377    H    CYS  55           H        CYS  55   0.660 -11.911   6.275
  378    HA   CYS  55           HA       CYS  55   0.804 -13.993   7.154
  379   1HB   CYS  55          2HB       CYS  55   3.391 -13.179   8.480
  380   2HB   CYS  55          1HB       CYS  55   2.818 -14.814   8.167
  381    HG   CYS  55           HG       CYS  55   2.952 -14.448   5.332
  382    HA   PRO  56           HA       PRO  56  -1.113 -12.863  11.036
  383   1HB   PRO  56          2HB       PRO  56  -2.698 -15.039  11.206
  384   2HB   PRO  56          1HB       PRO  56  -3.056 -13.699  10.111
  385   1HG   PRO  56          2HG       PRO  56  -1.810 -16.349   9.523
  386   2HG   PRO  56          1HG       PRO  56  -3.009 -15.440   8.586
  387   1HD   PRO  56          2HD       PRO  56  -0.334 -15.487   7.999
  388   2HD   PRO  56          1HD       PRO  56  -1.416 -14.146   7.574
  389    H    ALA  57           H        ALA  57  -1.667 -14.350  13.044
  390    HA   ALA  57           HA       ALA  57  -0.869 -15.479  14.842
  391   1HB   ALA  57          1HB       ALA  57  -1.064 -17.338  13.063
  392   2HB   ALA  57          2HB       ALA  57   0.698 -17.273  13.026
  393   3HB   ALA  57          3HB       ALA  57  -0.139 -17.663  14.529
  394    H    LEU  58           H        LEU  58   0.469 -13.206  14.443
  395    HA   LEU  58           HA       LEU  58   3.209 -13.936  15.199
  396   1HB   LEU  58          2HB       LEU  58   2.369 -12.324  12.943
  397   2HB   LEU  58          1HB       LEU  58   3.395 -11.407  14.031
  398    HG   LEU  58           HG       LEU  58   4.474 -14.057  13.482
  399   1HD1  LEU  58          1HD1      LEU  58   5.209 -13.237  11.135
  400   2HD1  LEU  58          2HD1      LEU  58   3.641 -14.020  11.326
  401   3HD1  LEU  58          3HD1      LEU  58   3.741 -12.265  11.207
  402   1HD2  LEU  58          1HD2      LEU  58   5.490 -11.839  14.444
  403   2HD2  LEU  58          2HD2      LEU  58   6.469 -12.933  13.465
  404   3HD2  LEU  58          3HD2      LEU  58   5.774 -11.484  12.739
  405    H    LYS  59           H        LYS  59   3.328 -13.446  17.278
  406    HA   LYS  59           HA       LYS  59   1.850 -11.157  18.320
  407   1HB   LYS  59          2HB       LYS  59   3.369 -13.399  19.651
  408   2HB   LYS  59          1HB       LYS  59   2.695 -12.040  20.543
  409   1HG   LYS  59          2HG       LYS  59   0.493 -12.664  20.055
  410   2HG   LYS  59          1HG       LYS  59   0.996 -13.747  18.756
  411   1HD   LYS  59          2HD       LYS  59   1.948 -14.275  21.533
  412   2HD   LYS  59          1HD       LYS  59   0.287 -14.691  21.105
  413   1HE   LYS  59          2HE       LYS  59   1.211 -16.638  20.456
  414   2HE   LYS  59          1HE       LYS  59   1.615 -15.734  18.997
  415   1HZ   LYS  59          1HZ       LYS  59   3.799 -15.557  19.598
  416   2HZ   LYS  59          2HZ       LYS  59   3.434 -17.058  20.296
  417   3HZ   LYS  59          3HZ       LYS  59   3.483 -15.665  21.261
  418    H    GLY  60           H        GLY  60   3.009  -9.414  17.554
  419   1HA   GLY  60          1HA       GLY  60   4.595  -7.750  18.265
  420   2HA   GLY  60          2HA       GLY  60   5.663  -9.046  18.787
  421    H    LYS  61           H        LYS  61   6.221  -6.797  16.995
  422    HA   LYS  61           HA       LYS  61   6.696  -8.220  14.466
  423   1HB   LYS  61          2HB       LYS  61   6.486  -5.314  15.185
  424   2HB   LYS  61          1HB       LYS  61   7.363  -5.798  13.741
  425   1HG   LYS  61          2HG       LYS  61   4.481  -6.434  14.338
  426   2HG   LYS  61          1HG       LYS  61   5.059  -5.176  13.244
  427   1HD   LYS  61          2HD       LYS  61   5.130  -6.665  11.597
  428   2HD   LYS  61          1HD       LYS  61   6.331  -7.590  12.502
  429   1HE   LYS  61          2HE       LYS  61   4.672  -9.160  12.197
  430   2HE   LYS  61          1HE       LYS  61   4.262  -8.509  13.782
  431   1HZ   LYS  61          1HZ       LYS  61   2.707  -8.547  11.437
  432   2HZ   LYS  61          2HZ       LYS  61   2.974  -6.932  11.884
  433   3HZ   LYS  61          3HZ       LYS  61   2.272  -8.013  12.986
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -13.727   7.042  -2.021
    2   2H    GLY   1          2H        GLY   1 -13.990   8.514  -2.825
    3   3H    GLY   1          3H        GLY   1 -12.508   7.705  -2.997
    4   1HA   GLY   1          2HA       GLY   1 -14.044   7.486  -4.930
    5   2HA   GLY   1          1HA       GLY   1 -13.459   5.973  -4.248
    6    HA   PRO   2           HA       PRO   2 -18.061   5.566  -4.691
    7   1HB   PRO   2          2HB       PRO   2 -17.238   2.727  -4.880
    8   2HB   PRO   2          1HB       PRO   2 -18.316   3.657  -5.924
    9   1HG   PRO   2          2HG       PRO   2 -15.864   2.968  -6.730
   10   2HG   PRO   2          1HG       PRO   2 -16.573   4.534  -7.166
   11   1HD   PRO   2          2HD       PRO   2 -14.528   3.886  -5.080
   12   2HD   PRO   2          1HD       PRO   2 -14.615   5.277  -6.181
   13    H    LEU   3           H        LEU   3 -16.305   2.835  -3.256
   14    HA   LEU   3           HA       LEU   3 -17.901   3.159  -0.837
   15   1HB   LEU   3          2HB       LEU   3 -17.311   0.933  -0.192
   16   2HB   LEU   3          1HB       LEU   3 -17.914   0.908  -1.827
   17    HG   LEU   3           HG       LEU   3 -16.209  -0.632  -1.896
   18   1HD1  LEU   3          1HD1      LEU   3 -14.525   0.143  -3.303
   19   2HD1  LEU   3          2HD1      LEU   3 -15.893   1.219  -3.596
   20   3HD1  LEU   3          3HD1      LEU   3 -14.547   1.756  -2.590
   21   1HD2  LEU   3          1HD2      LEU   3 -15.352  -0.345   0.318
   22   2HD2  LEU   3          2HD2      LEU   3 -14.011  -0.360  -0.827
   23   3HD2  LEU   3          3HD2      LEU   3 -14.565   1.166  -0.139
   24    H    GLY   4           H        GLY   4 -17.087   4.363   0.663
   25   1HA   GLY   4          1HA       GLY   4 -15.437   5.091   2.212
   26   2HA   GLY   4          2HA       GLY   4 -14.207   4.310   1.223
   27    H    SER   5           H        SER   5 -16.059   7.161   1.766
   28    HA   SER   5           HA       SER   5 -15.597   8.516  -0.646
   29   1HB   SER   5          2HB       SER   5 -15.707  10.359   1.550
   30   2HB   SER   5          1HB       SER   5 -16.959   9.982   0.364
   31    HG   SER   5           HG       SER   5 -17.898   8.655   1.738
   32    H    ASP   6           H        ASP   6 -13.851   8.587   2.443
   33    HA   ASP   6           HA       ASP   6 -11.634   9.998   1.139
   34   1HB   ASP   6          2HB       ASP   6 -10.738   9.753   3.650
   35   2HB   ASP   6          1HB       ASP   6 -11.782  11.081   3.153
   36    H    HIS   7           H        HIS   7 -12.108   7.317   3.385
   37    HA   HIS   7           HA       HIS   7 -11.095   5.328   3.677
   38   1HB   HIS   7          2HB       HIS   7 -11.553   5.118   1.162
   39   2HB   HIS   7          1HB       HIS   7  -9.853   5.534   0.940
   40    HD2  HIS   7           2HD      HIS   7 -10.391   3.387   3.997
   41    HE1  HIS   7           1HE      HIS   7  -9.197   0.806   0.866
   42    HE2  HIS   7           2HE      HIS   7  -9.801   0.946   3.329
   43    H    HIS   8           H        HIS   8  -9.731   5.810   5.266
   44    HA   HIS   8           HA       HIS   8  -7.783   6.142   6.372
   45   1HB   HIS   8          2HB       HIS   8  -6.609   5.507   3.658
   46   2HB   HIS   8          1HB       HIS   8  -5.642   5.714   5.112
   47    HD2  HIS   8           2HD      HIS   8  -4.934   2.983   4.471
   48    HE1  HIS   8           1HE      HIS   8  -8.531   1.489   6.117
   49    HE2  HIS   8           2HE      HIS   8  -6.145   0.923   5.479
   50    H    MET   9           H        MET   9  -5.561   7.283   4.265
   51    HA   MET   9           HA       MET   9  -6.210  10.072   4.916
   52   1HB   MET   9          2HB       MET   9  -3.757   8.540   4.825
   53   2HB   MET   9          1HB       MET   9  -3.641   9.967   3.805
   54   1HG   MET   9          2HG       MET   9  -4.204   9.834   6.747
   55   2HG   MET   9          1HG       MET   9  -2.832  10.578   5.929
   56   1HE   MET   9          1HE       MET   9  -6.741  11.667   7.135
   57   2HE   MET   9          2HE       MET   9  -5.309  11.046   7.958
   58   3HE   MET   9          3HE       MET   9  -5.603  12.782   7.891
   59    H    GLU  10           H        GLU  10  -5.849  11.711   3.289
   60    HA   GLU  10           HA       GLU  10  -6.892  10.919   0.736
   61   1HB   GLU  10          2HB       GLU  10  -6.607  13.373   0.200
   62   2HB   GLU  10          1HB       GLU  10  -7.638  13.017   1.580
   63   1HG   GLU  10          2HG       GLU  10  -5.176  13.299   2.742
   64   2HG   GLU  10          1HG       GLU  10  -5.124  14.488   1.442
   65    H    PHE  11           H        PHE  11  -3.777  11.449   2.071
   66    HA   PHE  11           HA       PHE  11  -2.575  10.994  -0.568
   67   1HB   PHE  11          2HB       PHE  11  -0.698  12.445   0.017
   68   2HB   PHE  11          1HB       PHE  11  -2.194  13.361   0.110
   69    HD1  PHE  11           1HD      PHE  11   0.742  12.320   1.844
   70    HD2  PHE  11           2HD      PHE  11  -3.245  13.702   2.408
   71    HE1  PHE  11           1HE      PHE  11   1.298  12.964   4.151
   72    HE2  PHE  11           2HE      PHE  11  -2.698  14.339   4.719
   73    HZ   PHE  11           HZ       PHE  11  -0.425  13.971   5.594
   74    H    CYS  12           H        CYS  12  -0.433   9.962  -0.408
   75    HA   CYS  12           HA       CYS  12  -0.368   8.026   1.751
   76   1HB   CYS  12          2HB       CYS  12   0.463   6.814   0.055
   77   2HB   CYS  12          1HB       CYS  12   0.754   8.248  -0.919
   78    HG   CYS  12           HG       CYS  12   3.245   8.007  -0.860
   79    H    ARG  13           H        ARG  13   0.520   8.517   3.601
   80    HA   ARG  13           HA       ARG  13   1.957  10.930   3.959
   81   1HB   ARG  13          2HB       ARG  13   2.231   9.836   6.358
   82   2HB   ARG  13          1HB       ARG  13   0.703  10.514   5.813
   83   1HG   ARG  13          2HG       ARG  13  -0.230   8.413   5.440
   84   2HG   ARG  13          1HG       ARG  13   1.344   7.614   5.432
   85   1HD   ARG  13          2HD       ARG  13   0.980   8.958   7.923
   86   2HD   ARG  13          1HD       ARG  13  -0.434   7.957   7.596
   87    HE   ARG  13           HE       ARG  13   2.232   6.761   7.323
   88   1HH1  ARG  13          2HH1      ARG  13  -0.809   7.042   9.046
   89   2HH1  ARG  13          1HH1      ARG  13  -0.541   5.632  10.029
   90   1HH2  ARG  13          2HH2      ARG  13   2.614   4.912   8.617
   91   2HH2  ARG  13          1HH2      ARG  13   1.396   4.386   9.745
   92    H    VAL  14           H        VAL  14   3.471   9.547   2.233
   93    HA   VAL  14           HA       VAL  14   5.939   9.186   3.761
   94    HB   VAL  14           HB       VAL  14   5.541   7.459   1.346
   95   1HG1  VAL  14          1HG1      VAL  14   7.767   7.648   2.247
   96   2HG1  VAL  14          2HG1      VAL  14   7.190   7.225   3.859
   97   3HG1  VAL  14          3HG1      VAL  14   7.151   6.027   2.565
   98   1HG2  VAL  14          1HG2      VAL  14   3.715   6.607   2.434
   99   2HG2  VAL  14          2HG2      VAL  14   4.999   5.626   3.141
  100   3HG2  VAL  14          3HG2      VAL  14   4.346   7.000   4.034
  101    H    CYS  15           H        CYS  15   4.284   9.926   0.770
  102    HA   CYS  15           HA       CYS  15   6.660  11.394  -0.130
  103   1HB   CYS  15          2HB       CYS  15   6.358  10.635  -2.359
  104   2HB   CYS  15          1HB       CYS  15   6.241   9.206  -1.342
  105    H    LYS  16           H        LYS  16   3.576  11.688   0.892
  106    HA   LYS  16           HA       LYS  16   2.049  13.345   0.901
  107   1HB   LYS  16          2HB       LYS  16   4.401  14.714  -0.295
  108   2HB   LYS  16          1HB       LYS  16   2.838  15.507  -0.447
  109   1HG   LYS  16          2HG       LYS  16   3.287  14.553   2.247
  110   2HG   LYS  16          1HG       LYS  16   4.571  15.641   1.713
  111   1HD   LYS  16          2HD       LYS  16   3.073  17.403   1.337
  112   2HD   LYS  16          1HD       LYS  16   1.672  16.328   1.323
  113   1HE   LYS  16          2HE       LYS  16   1.790  17.651   3.381
  114   2HE   LYS  16          1HE       LYS  16   1.933  15.925   3.702
  115   1HZ   LYS  16          1HZ       LYS  16   4.184  16.118   4.175
  116   2HZ   LYS  16          2HZ       LYS  16   3.527  17.509   4.887
  117   3HZ   LYS  16          3HZ       LYS  16   4.329  17.618   3.395
  118    H    ASP  17           H        ASP  17   2.741  11.576  -1.685
  119    HA   ASP  17           HA       ASP  17   1.069  12.980  -3.601
  120   1HB   ASP  17          2HB       ASP  17   3.154  11.640  -4.223
  121   2HB   ASP  17          1HB       ASP  17   2.194  10.201  -3.905
  122    H    GLY  18           H        GLY  18  -1.018  12.584  -3.940
  123   1HA   GLY  18          1HA       GLY  18  -2.206  10.277  -2.520
  124   2HA   GLY  18          2HA       GLY  18  -2.995  11.850  -2.632
  125    H    GLY  19           H        GLY  19  -1.256  10.608  -5.360
  126   1HA   GLY  19          1HA       GLY  19  -3.473  10.798  -7.078
  127   2HA   GLY  19          2HA       GLY  19  -1.961  10.000  -7.465
  128    H    GLU  20           H        GLU  20  -1.683   7.821  -6.654
  129    HA   GLU  20           HA       GLU  20  -4.225   6.359  -6.353
  130   1HB   GLU  20          2HB       GLU  20  -1.815   5.736  -7.838
  131   2HB   GLU  20          1HB       GLU  20  -2.124   4.503  -6.622
  132   1HG   GLU  20          2HG       GLU  20  -4.131   5.435  -8.663
  133   2HG   GLU  20          1HG       GLU  20  -3.112   4.008  -8.835
  134    H    LEU  21           H        LEU  21  -3.912   4.469  -4.709
  135    HA   LEU  21           HA       LEU  21  -1.908   5.039  -2.717
  136   1HB   LEU  21          2HB       LEU  21  -4.725   5.853  -2.402
  137   2HB   LEU  21          1HB       LEU  21  -3.974   5.083  -1.010
  138    HG   LEU  21           HG       LEU  21  -2.536   7.286  -2.411
  139   1HD1  LEU  21          1HD1      LEU  21  -4.552   8.412  -2.088
  140   2HD1  LEU  21          2HD1      LEU  21  -4.853   7.609  -0.546
  141   3HD1  LEU  21          3HD1      LEU  21  -3.574   8.819  -0.675
  142   1HD2  LEU  21          1HD2      LEU  21  -1.146   7.058  -0.720
  143   2HD2  LEU  21          2HD2      LEU  21  -2.453   7.274   0.444
  144   3HD2  LEU  21          3HD2      LEU  21  -2.088   5.666  -0.183
  145    H    LEU  22           H        LEU  22  -1.330   3.415  -1.544
  146    HA   LEU  22           HA       LEU  22  -2.810   0.886  -1.791
  147   1HB   LEU  22          2HB       LEU  22  -0.104   1.480  -2.086
  148   2HB   LEU  22          1HB       LEU  22  -0.205   0.758  -0.492
  149    HG   LEU  22           HG       LEU  22  -1.096  -1.276  -1.376
  150   1HD1  LEU  22          1HD1      LEU  22  -1.654   0.399  -3.727
  151   2HD1  LEU  22          2HD1      LEU  22  -1.115  -1.245  -4.069
  152   3HD1  LEU  22          3HD1      LEU  22  -2.543  -0.974  -3.069
  153   1HD2  LEU  22          1HD2      LEU  22   1.115  -0.377  -3.214
  154   2HD2  LEU  22          2HD2      LEU  22   1.351  -0.891  -1.544
  155   3HD2  LEU  22          3HD2      LEU  22   0.726  -2.030  -2.737
  156    H    CYS  23           H        CYS  23  -4.212   0.689  -0.160
  157    HA   CYS  23           HA       CYS  23  -3.463   1.752   2.478
  158   1HB   CYS  23          2HB       CYS  23  -6.230   0.960   1.573
  159   2HB   CYS  23          1HB       CYS  23  -5.783   2.023   2.902
  160    HG   CYS  23           HG       CYS  23  -5.944   4.207   1.574
  161    H    CYS  24           H        CYS  24  -3.170   0.422   4.169
  162    HA   CYS  24           HA       CYS  24  -3.210  -2.398   3.853
  163   1HB   CYS  24          2HB       CYS  24  -1.671  -1.245   5.413
  164   2HB   CYS  24          1HB       CYS  24  -3.044  -0.756   6.399
  165    H    ASP  25           H        ASP  25  -4.672  -3.883   4.499
  166    HA   ASP  25           HA       ASP  25  -7.377  -2.990   4.949
  167   1HB   ASP  25          2HB       ASP  25  -6.821  -4.998   3.556
  168   2HB   ASP  25          1HB       ASP  25  -6.293  -5.811   5.023
  169    H    THR  26           H        THR  26  -4.671  -3.781   6.830
  170    HA   THR  26           HA       THR  26  -6.274  -4.316   9.219
  171    HB   THR  26           HB       THR  26  -3.477  -4.209   9.800
  172    HG1  THR  26           1HG      THR  26  -3.164  -4.660   7.563
  173   1HG2  THR  26          1HG2      THR  26  -4.718  -6.847   9.605
  174   2HG2  THR  26          2HG2      THR  26  -5.680  -5.682  10.515
  175   3HG2  THR  26          3HG2      THR  26  -4.019  -6.023  11.000
  176    H    CYS  27           H        CYS  27  -3.771  -2.065   8.021
  177    HA   CYS  27           HA       CYS  27  -4.319  -0.311  10.311
  178   1HB   CYS  27          2HB       CYS  27  -2.170   0.061   8.227
  179   2HB   CYS  27          1HB       CYS  27  -2.267   0.798   9.822
  180    HA   PRO  28           HA       PRO  28  -6.293   2.670   7.578
  181   1HB   PRO  28          2HB       PRO  28  -5.974   4.745   9.489
  182   2HB   PRO  28          1HB       PRO  28  -7.410   3.757   9.219
  183   1HG   PRO  28          2HG       PRO  28  -5.825   3.729  11.511
  184   2HG   PRO  28          1HG       PRO  28  -7.000   2.489  11.047
  185   1HD   PRO  28          2HD       PRO  28  -4.033   2.504  10.736
  186   2HD   PRO  28          1HD       PRO  28  -5.128   1.149  11.088
  187    H    SER  29           H        SER  29  -3.517   2.097   7.261
  188    HA   SER  29           HA       SER  29  -2.288   4.753   7.040
  189   1HB   SER  29          2HB       SER  29  -0.907   2.074   6.834
  190   2HB   SER  29          1HB       SER  29  -0.159   3.657   7.056
  191    HG   SER  29           HG       SER  29  -1.953   2.481   8.912
  192    H    SER  30           H        SER  30  -1.873   5.607   5.129
  193    HA   SER  30           HA       SER  30  -2.474   3.989   2.750
  194   1HB   SER  30          2HB       SER  30  -2.403   6.912   2.451
  195   2HB   SER  30          1HB       SER  30  -3.625   5.753   1.925
  196    HG   SER  30           HG       SER  30  -3.278   6.609   4.618
  197    H    TYR  31           H        TYR  31  -0.763   3.377   1.619
  198    HA   TYR  31           HA       TYR  31   1.593   5.159   1.538
  199   1HB   TYR  31          2HB       TYR  31   1.624   2.138   1.473
  200   2HB   TYR  31          1HB       TYR  31   3.021   3.203   1.497
  201    HD1  TYR  31           1HD      TYR  31   1.316   0.993   3.429
  202    HD2  TYR  31           2HD      TYR  31   2.765   4.984   3.620
  203    HE1  TYR  31           1HE      TYR  31   1.417   0.830   5.876
  204    HE2  TYR  31           2HE      TYR  31   2.862   4.839   6.071
  205    HH   TYR  31           HH       TYR  31   1.632   2.002   7.780
  206    H    HIS  32           H        HIS  32   2.974   3.316  -0.222
  207    HA   HIS  32           HA       HIS  32   1.369   3.200  -2.652
  208   1HB   HIS  32          2HB       HIS  32   3.775   4.925  -2.276
  209   2HB   HIS  32          1HB       HIS  32   3.641   4.050  -3.797
  210    HD2  HIS  32           2HD      HIS  32   0.844   4.515  -4.884
  211    HE1  HIS  32           1HE      HIS  32   1.137   8.544  -3.633
  212    HE2  HIS  32           2HE      HIS  32  -0.257   6.863  -4.900
  213    H    ILE  33           H        ILE  33   3.084   2.222  -4.432
  214    HA   ILE  33           HA       ILE  33   3.865  -0.315  -3.306
  215    HB   ILE  33           HB       ILE  33   4.811  -0.660  -5.698
  216   1HG1  ILE  33          2HG1      ILE  33   2.889   1.483  -6.499
  217   1HG2  ILE  33          1HG2      ILE  33   2.958  -1.861  -5.859
  218   2HG2  ILE  33          2HG2      ILE  33   2.245  -0.921  -4.547
  219   3HG2  ILE  33          3HG2      ILE  33   2.026  -0.409  -6.221
  220   1HD1  ILE  33          1HD1      ILE  33   5.046   1.635  -8.152
  221   2HD1  ILE  33          2HD1      ILE  33   4.993  -0.089  -7.774
  222   3HD1  ILE  33          3HD1      ILE  33   3.580   0.707  -8.471
  223    H    HIS  34           H        HIS  34   5.365   2.682  -3.742
  224    HA   HIS  34           HA       HIS  34   7.995   1.459  -3.269
  225   1HB   HIS  34          2HB       HIS  34   8.836   3.659  -4.461
  226   2HB   HIS  34          1HB       HIS  34   8.383   2.243  -5.398
  227    HD2  HIS  34           2HD      HIS  34   5.778   4.886  -4.082
  228    HE1  HIS  34           1HE      HIS  34   5.883   4.928  -8.309
  229    HE2  HIS  34           2HE      HIS  34   4.594   5.670  -6.259
  230    H    CYS  35           H        CYS  35   5.843   2.715  -1.520
  231    HA   CYS  35           HA       CYS  35   7.592   4.726  -0.275
  232   1HB   CYS  35          2HB       CYS  35   4.564   4.660  -0.279
  233   2HB   CYS  35          1HB       CYS  35   5.554   5.821   0.587
  234    H    LEU  36           H        LEU  36   7.680   1.923   0.170
  235    HA   LEU  36           HA       LEU  36   7.467   1.994   3.059
  236   1HB   LEU  36          2HB       LEU  36   6.572  -0.547   2.677
  237   2HB   LEU  36          1HB       LEU  36   5.556   0.815   3.101
  238    HG   LEU  36           HG       LEU  36   5.698   0.901   0.317
  239   1HD1  LEU  36          1HD1      LEU  36   6.303  -1.738   1.127
  240   2HD1  LEU  36          2HD1      LEU  36   4.645  -1.742   0.526
  241   3HD1  LEU  36          3HD1      LEU  36   5.950  -1.148  -0.499
  242   1HD2  LEU  36          1HD2      LEU  36   3.403   0.641   0.433
  243   2HD2  LEU  36          2HD2      LEU  36   3.492  -0.440   1.823
  244   3HD2  LEU  36          3HD2      LEU  36   3.816   1.282   2.024
  245    H    ASN  37           H        ASN  37   7.907  -0.461   0.570
  246    HA   ASN  37           HA       ASN  37  10.603  -1.049   1.589
  247   1HB   ASN  37          2HB       ASN  37   8.251  -2.681   1.465
  248   2HB   ASN  37          1HB       ASN  37   9.398  -3.302   0.290
  249   1HD2  ASN  37          1HD2      ASN  37   8.873  -5.006   2.155
  250   2HD2  ASN  37          2HD2      ASN  37  10.120  -5.091   3.361
  251    HA   PRO  38           HA       PRO  38  12.287  -0.971  -2.608
  252   1HB   PRO  38          2HB       PRO  38  12.121  -3.675  -3.458
  253   2HB   PRO  38          1HB       PRO  38  13.538  -2.852  -2.801
  254   1HG   PRO  38          2HG       PRO  38  11.569  -4.617  -1.441
  255   2HG   PRO  38          1HG       PRO  38  13.297  -4.391  -1.115
  256   1HD   PRO  38          2HD       PRO  38  11.450  -3.353   0.502
  257   2HD   PRO  38          1HD       PRO  38  12.932  -2.451   0.119
  258    HA   PRO  39           HA       PRO  39   8.501  -0.057  -4.623
  259   1HB   PRO  39          2HB       PRO  39  10.286  -0.279  -7.019
  260   2HB   PRO  39          1HB       PRO  39   9.098   0.967  -6.618
  261   1HG   PRO  39          2HG       PRO  39  11.708   1.366  -6.213
  262   2HG   PRO  39          1HG       PRO  39  10.489   1.994  -5.089
  263   1HD   PRO  39          2HD       PRO  39  12.401  -0.225  -4.741
  264   2HD   PRO  39          1HD       PRO  39  11.586   0.767  -3.519
  265    H    LEU  40           H        LEU  40   7.057  -1.667  -4.656
  266    HA   LEU  40           HA       LEU  40   7.478  -4.162  -6.023
  267   1HB   LEU  40          2HB       LEU  40   4.821  -3.003  -5.194
  268   2HB   LEU  40          1HB       LEU  40   5.227  -4.692  -5.428
  269    HG   LEU  40           HG       LEU  40   6.556  -3.079  -3.277
  270   1HD1  LEU  40          1HD1      LEU  40   4.840  -3.902  -1.715
  271   2HD1  LEU  40          2HD1      LEU  40   4.174  -2.796  -2.917
  272   3HD1  LEU  40          3HD1      LEU  40   3.922  -4.533  -3.082
  273   1HD2  LEU  40          1HD2      LEU  40   5.995  -6.015  -3.663
  274   2HD2  LEU  40          2HD2      LEU  40   7.561  -5.209  -3.770
  275   3HD2  LEU  40          3HD2      LEU  40   6.725  -5.310  -2.221
  276    HA   PRO  41           HA       PRO  41   6.813  -2.338  -9.978
  277   1HB   PRO  41          2HB       PRO  41   6.507  -5.136 -10.909
  278   2HB   PRO  41          1HB       PRO  41   7.655  -3.897 -11.427
  279   1HG   PRO  41          2HG       PRO  41   8.438  -5.953  -9.908
  280   2HG   PRO  41          1HG       PRO  41   9.112  -4.329  -9.681
  281   1HD   PRO  41          2HD       PRO  41   7.044  -5.765  -8.065
  282   2HD   PRO  41          1HD       PRO  41   8.370  -4.714  -7.525
  283    H    GLU  42           H        GLU  42   4.669  -4.817  -8.737
  284    HA   GLU  42           HA       GLU  42   2.511  -3.737 -10.427
  285   1HB   GLU  42          2HB       GLU  42   3.192  -6.462  -9.559
  286   2HB   GLU  42          1HB       GLU  42   1.494  -6.049  -9.370
  287   1HG   GLU  42          2HG       GLU  42   2.259  -5.149 -11.919
  288   2HG   GLU  42          1HG       GLU  42   2.927  -6.769 -11.729
  289    H    ILE  43           H        ILE  43   0.562  -3.156  -9.441
  290    HA   ILE  43           HA       ILE  43   0.836  -2.659  -6.572
  291    HB   ILE  43           HB       ILE  43  -0.730  -0.913  -6.748
  292   1HG1  ILE  43          2HG1      ILE  43  -1.493  -0.950  -9.524
  293   1HG2  ILE  43          1HG2      ILE  43   0.143   0.080  -9.164
  294   2HG2  ILE  43          2HG2      ILE  43   0.959   0.251  -7.611
  295   3HG2  ILE  43          3HG2      ILE  43   1.410  -1.057  -8.705
  296   1HD1  ILE  43          1HD1      ILE  43  -3.594  -0.487  -8.762
  297   2HD1  ILE  43          2HD1      ILE  43  -3.419  -1.506  -7.332
  298   3HD1  ILE  43          3HD1      ILE  43  -2.622   0.066  -7.398
  299    HA   PRO  44           HA       PRO  44  -1.978  -6.008  -5.899
  300   1HB   PRO  44          2HB       PRO  44  -1.900  -5.206  -3.083
  301   2HB   PRO  44          1HB       PRO  44  -1.301  -6.684  -3.841
  302   1HG   PRO  44          2HG       PRO  44   0.362  -4.805  -2.852
  303   2HG   PRO  44          1HG       PRO  44   0.771  -5.775  -4.279
  304   1HD   PRO  44          2HD       PRO  44  -0.277  -2.968  -4.138
  305   2HD   PRO  44          1HD       PRO  44   1.016  -3.635  -5.162
  306    H    ASN  45           H        ASN  45  -3.802  -5.088  -6.887
  307    HA   ASN  45           HA       ASN  45  -5.347  -3.080  -5.553
  308   1HB   ASN  45          2HB       ASN  45  -5.149  -3.334  -8.051
  309   2HB   ASN  45          1HB       ASN  45  -6.167  -4.767  -7.923
  310   1HD2  ASN  45          1HD2      ASN  45  -8.042  -4.199  -8.781
  311   2HD2  ASN  45          2HD2      ASN  45  -8.974  -2.805  -8.337
  312    H    GLY  46           H        GLY  46  -6.647  -3.458  -3.918
  313   1HA   GLY  46          1HA       GLY  46  -8.853  -4.737  -3.532
  314   2HA   GLY  46          2HA       GLY  46  -7.803  -6.146  -3.620
  315    H    GLU  47           H        GLU  47  -6.921  -6.854  -1.799
  316    HA   GLU  47           HA       GLU  47  -6.935  -5.040   0.526
  317   1HB   GLU  47          2HB       GLU  47  -7.258  -8.038   0.392
  318   2HB   GLU  47          1HB       GLU  47  -6.960  -7.165   1.887
  319   1HG   GLU  47          2HG       GLU  47  -9.117  -6.802   2.108
  320   2HG   GLU  47          1HG       GLU  47  -9.132  -5.913   0.586
  321    H    TRP  48           H        TRP  48  -4.847  -4.234   0.043
  322    HA   TRP  48           HA       TRP  48  -2.675  -6.192   0.210
  323   1HB   TRP  48          2HB       TRP  48  -2.194  -4.714  -1.553
  324   2HB   TRP  48          1HB       TRP  48  -2.839  -3.324  -0.693
  325    HD1  TRP  48           HD       TRP  48   0.354  -5.346  -1.144
  326    HE1  TRP  48           1HE      TRP  48   2.288  -4.110   0.029
  327    HE3  TRP  48           3HE      TRP  48  -2.341  -1.743   1.254
  328    HZ2  TRP  48           2HZ      TRP  48   2.611  -1.900   1.767
  329    HZ3  TRP  48           3HZ      TRP  48  -1.161  -0.114   2.647
  330    HH2  TRP  48           HH       TRP  48   1.266  -0.180   2.895
  331    H    LEU  49           H        LEU  49  -1.136  -6.054   1.862
  332    HA   LEU  49           HA       LEU  49  -1.917  -4.404   4.173
  333   1HB   LEU  49          2HB       LEU  49  -0.661  -7.125   4.421
  334   2HB   LEU  49          1HB       LEU  49  -1.483  -6.189   5.654
  335    HG   LEU  49           HG       LEU  49  -2.994  -7.187   3.265
  336   1HD1  LEU  49          1HD1      LEU  49  -2.233  -8.727   5.730
  337   2HD1  LEU  49          2HD1      LEU  49  -3.653  -9.121   4.760
  338   3HD1  LEU  49          3HD1      LEU  49  -2.046  -9.198   4.039
  339   1HD2  LEU  49          1HD2      LEU  49  -4.706  -7.294   5.263
  340   2HD2  LEU  49          2HD2      LEU  49  -3.594  -6.120   5.970
  341   3HD2  LEU  49          3HD2      LEU  49  -4.363  -5.783   4.418
  342    H    CYS  50           H        CYS  50  -0.154  -3.835   5.598
  343    HA   CYS  50           HA       CYS  50   2.065  -2.745   4.445
  344   1HB   CYS  50          2HB       CYS  50   1.915  -3.879   7.250
  345   2HB   CYS  50          1HB       CYS  50   3.077  -2.685   6.688
  346    HA   PRO  51           HA       PRO  51   5.122  -5.870   3.596
  347   1HB   PRO  51          2HB       PRO  51   7.098  -4.343   5.171
  348   2HB   PRO  51          1HB       PRO  51   7.125  -4.789   3.462
  349   1HG   PRO  51          2HG       PRO  51   6.682  -2.267   4.238
  350   2HG   PRO  51          1HG       PRO  51   5.856  -2.962   2.831
  351   1HD   PRO  51          2HD       PRO  51   4.826  -2.508   5.604
  352   2HD   PRO  51          1HD       PRO  51   4.006  -2.272   4.046
  353    H    ARG  52           H        ARG  52   4.025  -5.193   6.658
  354    HA   ARG  52           HA       ARG  52   5.353  -7.580   7.717
  355   1HB   ARG  52          2HB       ARG  52   5.464  -6.609   9.931
  356   2HB   ARG  52          1HB       ARG  52   6.308  -5.576   8.789
  357   1HG   ARG  52          2HG       ARG  52   3.466  -4.962   9.369
  358   2HG   ARG  52          1HG       ARG  52   4.661  -4.615  10.619
  359   1HD   ARG  52          2HD       ARG  52   4.404  -3.451   7.871
  360   2HD   ARG  52          1HD       ARG  52   4.533  -2.625   9.420
  361    HE   ARG  52           HE       ARG  52   6.913  -4.020   9.031
  362   1HH1  ARG  52          2HH1      ARG  52   5.152  -1.338   7.604
  363   2HH1  ARG  52          1HH1      ARG  52   6.578  -0.581   6.946
  364   1HH2  ARG  52          2HH2      ARG  52   8.803  -3.025   8.168
  365   2HH2  ARG  52          1HH2      ARG  52   8.650  -1.530   7.276
  366    H    CYS  53           H        CYS  53   2.459  -5.862   7.138
  367    HA   CYS  53           HA       CYS  53   0.835  -7.481   8.921
  368   1HB   CYS  53          2HB       CYS  53   0.153  -5.429   6.808
  369   2HB   CYS  53          1HB       CYS  53  -1.063  -6.328   7.708
  370    H    THR  54           H        THR  54   2.342  -7.797   5.994
  371    HA   THR  54           HA       THR  54   0.606  -8.983   4.244
  372    HB   THR  54           HB       THR  54   3.177 -10.350   4.274
  373    HG1  THR  54           1HG      THR  54   3.150  -7.489   4.308
  374   1HG2  THR  54          1HG2      THR  54   2.270 -10.273   2.179
  375   2HG2  THR  54          2HG2      THR  54   3.268  -8.819   2.107
  376   3HG2  THR  54          3HG2      THR  54   1.540  -8.689   2.436
  377    H    CYS  55           H        CYS  55   2.401 -10.539   6.871
  378    HA   CYS  55           HA       CYS  55   0.641 -12.876   6.563
  379   1HB   CYS  55          2HB       CYS  55   3.135 -13.520   7.873
  380   2HB   CYS  55          1HB       CYS  55   2.409 -14.252   6.446
  381    HG   CYS  55           HG       CYS  55   3.902 -13.104   4.646
  382    HA   PRO  56           HA       PRO  56  -0.482 -11.194  10.639
  383   1HB   PRO  56          2HB       PRO  56  -2.251 -13.581  10.447
  384   2HB   PRO  56          1HB       PRO  56  -2.649 -11.919  10.899
  385   1HG   PRO  56          2HG       PRO  56  -3.313 -12.866   8.499
  386   2HG   PRO  56          1HG       PRO  56  -2.731 -11.203   8.693
  387   1HD   PRO  56          2HD       PRO  56  -1.307 -13.595   7.633
  388   2HD   PRO  56          1HD       PRO  56  -1.199 -11.898   7.122
  389    H    ALA  57           H        ALA  57   0.128 -14.575   9.829
  390    HA   ALA  57           HA       ALA  57   1.168 -15.007  12.550
  391   1HB   ALA  57          1HB       ALA  57   0.630 -17.142  10.497
  392   2HB   ALA  57          2HB       ALA  57   0.869 -17.333  12.234
  393   3HB   ALA  57          3HB       ALA  57  -0.601 -16.571  11.626
  394    H    LEU  58           H        LEU  58   2.894 -13.520  11.513
  395    HA   LEU  58           HA       LEU  58   4.682 -14.656   9.604
  396   1HB   LEU  58          2HB       LEU  58   4.333 -12.159  10.908
  397   2HB   LEU  58          1HB       LEU  58   5.975 -12.685  11.223
  398    HG   LEU  58           HG       LEU  58   4.816 -12.584   8.446
  399   1HD1  LEU  58          1HD1      LEU  58   5.769 -10.409  10.166
  400   2HD1  LEU  58          2HD1      LEU  58   6.525 -10.477   8.574
  401   3HD1  LEU  58          3HD1      LEU  58   4.770 -10.354   8.713
  402   1HD2  LEU  58          1HD2      LEU  58   6.705 -13.768   8.120
  403   2HD2  LEU  58          2HD2      LEU  58   7.488 -12.192   8.242
  404   3HD2  LEU  58          3HD2      LEU  58   7.413 -13.251   9.650
  405    H    LYS  59           H        LYS  59   4.577 -14.422  13.097
  406    HA   LYS  59           HA       LYS  59   5.564 -15.618  14.744
  407   1HB   LYS  59          2HB       LYS  59   6.415 -17.370  12.438
  408   2HB   LYS  59          1HB       LYS  59   6.784 -17.745  14.116
  409   1HG   LYS  59          2HG       LYS  59   4.210 -17.463  14.438
  410   2HG   LYS  59          1HG       LYS  59   4.168 -17.763  12.700
  411   1HD   LYS  59          2HD       LYS  59   5.914 -19.647  13.979
  412   2HD   LYS  59          1HD       LYS  59   4.335 -19.658  14.767
  413   1HE   LYS  59          2HE       LYS  59   4.850 -19.975  11.815
  414   2HE   LYS  59          1HE       LYS  59   4.434 -21.271  12.935
  415   1HZ   LYS  59          1HZ       LYS  59   2.729 -19.473  11.569
  416   2HZ   LYS  59          2HZ       LYS  59   2.485 -19.333  13.244
  417   3HZ   LYS  59          3HZ       LYS  59   2.324 -20.842  12.482
  418    H    GLY  60           H        GLY  60   7.976 -16.766  15.105
  419   1HA   GLY  60          1HA       GLY  60  10.360 -16.236  14.561
  420   2HA   GLY  60          2HA       GLY  60   9.838 -14.560  14.453
  421    H    LYS  61           H        LYS  61   7.950 -15.173  16.760
  422    HA   LYS  61           HA       LYS  61   9.973 -14.965  18.897
  423   1HB   LYS  61          2HB       LYS  61   8.217 -13.035  18.228
  424   2HB   LYS  61          1HB       LYS  61   7.223 -13.946  19.356
  425   1HG   LYS  61          2HG       LYS  61   9.507 -13.749  20.777
  426   2HG   LYS  61          1HG       LYS  61   9.573 -12.251  19.845
  427   1HD   LYS  61          2HD       LYS  61   8.330 -11.486  21.585
  428   2HD   LYS  61          1HD       LYS  61   7.014 -12.155  20.618
  429   1HE   LYS  61          2HE       LYS  61   8.446 -13.801  22.679
  430   2HE   LYS  61          1HE       LYS  61   7.102 -12.748  23.115
  431   1HZ   LYS  61          1HZ       LYS  61   6.052 -14.742  22.716
  432   2HZ   LYS  61          2HZ       LYS  61   7.096 -15.177  21.450
  433   3HZ   LYS  61          3HZ       LYS  61   5.907 -13.996  21.199
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -5.134  15.666  -8.682
    2   2H    GLY   1          2H        GLY   1  -5.569  14.940  -7.215
    3   3H    GLY   1          3H        GLY   1  -6.549  16.151  -7.882
    4   1HA   GLY   1          2HA       GLY   1  -6.803  14.608  -9.874
    5   2HA   GLY   1          1HA       GLY   1  -6.173  13.367  -8.797
    6    HA   PRO   2           HA       PRO   2 -10.821  14.132  -8.177
    7   1HB   PRO   2          2HB       PRO   2 -11.398  11.749  -9.747
    8   2HB   PRO   2          1HB       PRO   2 -11.987  13.397  -9.967
    9   1HG   PRO   2          2HG       PRO   2 -10.257  12.214 -11.690
   10   2HG   PRO   2          1HG       PRO   2 -10.280  13.963 -11.387
   11   1HD   PRO   2          2HD       PRO   2  -8.438  11.870 -10.279
   12   2HD   PRO   2          1HD       PRO   2  -8.063  13.502 -10.878
   13    H    LEU   3           H        LEU   3  -9.343  13.184  -6.247
   14    HA   LEU   3           HA       LEU   3 -10.867  10.902  -5.293
   15   1HB   LEU   3          2HB       LEU   3  -8.983   9.626  -4.572
   16   2HB   LEU   3          1HB       LEU   3  -8.771   9.966  -6.278
   17    HG   LEU   3           HG       LEU   3  -7.483  11.965  -4.600
   18   1HD1  LEU   3          1HD1      LEU   3  -5.924  10.710  -3.471
   19   2HD1  LEU   3          2HD1      LEU   3  -7.374   9.726  -3.267
   20   3HD1  LEU   3          3HD1      LEU   3  -6.174   9.287  -4.483
   21   1HD2  LEU   3          1HD2      LEU   3  -6.599  12.078  -6.662
   22   2HD2  LEU   3          2HD2      LEU   3  -5.558  10.767  -6.105
   23   3HD2  LEU   3          3HD2      LEU   3  -7.010  10.406  -7.040
   24    H    GLY   4           H        GLY   4 -10.671  10.656  -2.934
   25   1HA   GLY   4          1HA       GLY   4  -9.639  13.045  -1.577
   26   2HA   GLY   4          2HA       GLY   4 -11.345  12.654  -1.412
   27    H    SER   5           H        SER   5 -11.163  12.371   0.821
   28    HA   SER   5           HA       SER   5  -9.321  10.458   1.926
   29   1HB   SER   5          2HB       SER   5 -11.650  11.322   3.533
   30   2HB   SER   5          1HB       SER   5  -9.932  11.330   3.938
   31    HG   SER   5           HG       SER   5  -9.726  13.304   3.150
   32    H    ASP   6           H        ASP   6 -10.294   8.944   0.185
   33    HA   ASP   6           HA       ASP   6 -12.795   7.693   0.670
   34   1HB   ASP   6          2HB       ASP   6 -11.055   7.658  -1.398
   35   2HB   ASP   6          1HB       ASP   6 -10.641   6.124  -0.630
   36    H    HIS   7           H        HIS   7  -9.531   6.366   0.976
   37    HA   HIS   7           HA       HIS   7 -10.510   4.685   3.172
   38   1HB   HIS   7          2HB       HIS   7  -9.510   3.911   0.669
   39   2HB   HIS   7          1HB       HIS   7  -8.222   3.565   1.823
   40    HD2  HIS   7           2HD      HIS   7  -9.445   2.193   4.215
   41    HE1  HIS   7           1HE      HIS   7 -11.976   0.045   1.589
   42    HE2  HIS   7           2HE      HIS   7 -10.822   0.018   3.850
   43    H    HIS   8           H        HIS   8  -9.677   5.242   5.009
   44    HA   HIS   8           HA       HIS   8  -8.223   5.838   6.641
   45   1HB   HIS   8          2HB       HIS   8  -6.040   5.055   4.706
   46   2HB   HIS   8          1HB       HIS   8  -5.914   5.155   6.455
   47    HD2  HIS   8           2HD      HIS   8  -5.595   2.415   4.397
   48    HE1  HIS   8           1HE      HIS   8  -8.681   1.075   6.958
   49    HE2  HIS   8           2HE      HIS   8  -6.756   0.364   5.467
   50    H    MET   9           H        MET   9  -5.679   6.658   4.466
   51    HA   MET   9           HA       MET   9  -6.068   9.484   5.124
   52   1HB   MET   9          2HB       MET   9  -3.632   8.152   3.934
   53   2HB   MET   9          1HB       MET   9  -3.738   9.794   4.552
   54   1HG   MET   9          2HG       MET   9  -3.831   9.084   6.768
   55   2HG   MET   9          1HG       MET   9  -4.271   7.437   6.314
   56   1HE   MET   9          1HE       MET   9  -1.796   9.541   7.744
   57   2HE   MET   9          2HE       MET   9  -1.875   7.943   8.483
   58   3HE   MET   9          3HE       MET   9  -0.367   8.510   7.766
   59    H    GLU  10           H        GLU  10  -6.057  11.078   3.548
   60    HA   GLU  10           HA       GLU  10  -7.077  10.251   0.972
   61   1HB   GLU  10          2HB       GLU  10  -7.295  12.707   0.576
   62   2HB   GLU  10          1HB       GLU  10  -8.127  12.143   2.017
   63   1HG   GLU  10          2HG       GLU  10  -5.913  12.840   3.209
   64   2HG   GLU  10          1HG       GLU  10  -5.696  13.839   1.773
   65    H    PHE  11           H        PHE  11  -4.093  10.249   2.068
   66    HA   PHE  11           HA       PHE  11  -2.900  10.538  -0.524
   67   1HB   PHE  11          2HB       PHE  11  -1.219  12.210   0.156
   68   2HB   PHE  11          1HB       PHE  11  -2.845  12.881   0.220
   69    HD1  PHE  11           1HD      PHE  11   0.079  11.890   2.158
   70    HD2  PHE  11           2HD      PHE  11  -3.899  13.390   2.357
   71    HE1  PHE  11           1HE      PHE  11   0.457  12.566   4.494
   72    HE2  PHE  11           2HE      PHE  11  -3.532  14.066   4.695
   73    HZ   PHE  11           HZ       PHE  11  -1.351  13.655   5.767
   74    H    CYS  12           H        CYS  12  -0.643   9.784  -0.508
   75    HA   CYS  12           HA       CYS  12  -0.249   7.767   1.538
   76   1HB   CYS  12          2HB       CYS  12   0.635   6.722  -0.250
   77   2HB   CYS  12          1HB       CYS  12   0.679   8.213  -1.179
   78    HG   CYS  12           HG       CYS  12   3.170   8.629  -1.056
   79    H    ARG  13           H        ARG  13   0.650   8.292   3.377
   80    HA   ARG  13           HA       ARG  13   1.506  10.806   4.020
   81   1HB   ARG  13          2HB       ARG  13   2.646   9.576   6.038
   82   2HB   ARG  13          1HB       ARG  13   0.898   9.579   5.861
   83   1HG   ARG  13          2HG       ARG  13   0.869   7.359   5.078
   84   2HG   ARG  13          1HG       ARG  13   2.614   7.350   4.816
   85   1HD   ARG  13          2HD       ARG  13   1.920   7.989   7.560
   86   2HD   ARG  13          1HD       ARG  13   1.275   6.426   7.056
   87    HE   ARG  13           HE       ARG  13   3.994   6.703   6.284
   88   1HH1  ARG  13          2HH1      ARG  13   1.959   6.072   9.061
   89   2HH1  ARG  13          1HH1      ARG  13   3.179   5.166   9.906
   90   1HH2  ARG  13          2HH2      ARG  13   5.587   5.524   7.368
   91   2HH2  ARG  13          1HH2      ARG  13   5.248   4.832   8.927
   92    H    VAL  14           H        VAL  14   3.342   8.482   2.381
   93    HA   VAL  14           HA       VAL  14   5.917   9.540   3.180
   94    HB   VAL  14           HB       VAL  14   5.662   7.767   0.807
   95   1HG1  VAL  14          1HG1      VAL  14   7.551   8.132   3.096
   96   2HG1  VAL  14          2HG1      VAL  14   7.571   6.650   2.141
   97   3HG1  VAL  14          3HG1      VAL  14   7.866   8.204   1.363
   98   1HG2  VAL  14          1HG2      VAL  14   4.867   6.990   3.584
   99   2HG2  VAL  14          2HG2      VAL  14   4.076   6.628   2.049
  100   3HG2  VAL  14          3HG2      VAL  14   5.579   5.812   2.481
  101    H    CYS  15           H        CYS  15   3.672   9.752   0.517
  102    HA   CYS  15           HA       CYS  15   5.425  11.371  -1.147
  103   1HB   CYS  15          2HB       CYS  15   2.643  10.269  -1.387
  104   2HB   CYS  15          1HB       CYS  15   3.137  11.592  -2.424
  105    H    LYS  16           H        LYS  16   2.719  11.679   0.999
  106    HA   LYS  16           HA       LYS  16   1.563  13.435   1.875
  107   1HB   LYS  16          2HB       LYS  16   3.981  14.752   1.080
  108   2HB   LYS  16          1HB       LYS  16   2.614  15.745   0.596
  109   1HG   LYS  16          2HG       LYS  16   3.064  14.677   3.374
  110   2HG   LYS  16          1HG       LYS  16   3.480  16.303   2.830
  111   1HD   LYS  16          2HD       LYS  16   0.830  15.956   2.056
  112   2HD   LYS  16          1HD       LYS  16   0.924  15.235   3.662
  113   1HE   LYS  16          2HE       LYS  16   1.088  17.228   4.641
  114   2HE   LYS  16          1HE       LYS  16   2.362  17.740   3.537
  115   1HZ   LYS  16          1HZ       LYS  16  -0.450  17.702   2.653
  116   2HZ   LYS  16          2HZ       LYS  16   0.843  18.628   2.061
  117   3HZ   LYS  16          3HZ       LYS  16   0.142  19.005   3.560
  118    H    ASP  17           H        ASP  17   1.586  12.132  -0.884
  119    HA   ASP  17           HA       ASP  17  -0.826  13.270  -1.830
  120   1HB   ASP  17          2HB       ASP  17   1.213  14.734  -2.725
  121   2HB   ASP  17          1HB       ASP  17   1.310  13.436  -3.910
  122    H    GLY  18           H        GLY  18  -0.441  12.322  -4.574
  123   1HA   GLY  18          1HA       GLY  18   0.058  10.262  -5.693
  124   2HA   GLY  18          2HA       GLY  18   0.035   9.447  -4.132
  125    H    GLY  19           H        GLY  19  -1.471   9.151  -6.791
  126   1HA   GLY  19          1HA       GLY  19  -4.217   9.392  -5.739
  127   2HA   GLY  19          2HA       GLY  19  -3.787   9.329  -7.441
  128    H    GLU  20           H        GLU  20  -1.940   7.122  -7.133
  129    HA   GLU  20           HA       GLU  20  -3.879   4.958  -7.135
  130   1HB   GLU  20          2HB       GLU  20  -1.359   5.493  -8.390
  131   2HB   GLU  20          1HB       GLU  20  -1.249   3.975  -7.512
  132   1HG   GLU  20          2HG       GLU  20  -1.957   3.745  -9.886
  133   2HG   GLU  20          1HG       GLU  20  -3.092   3.061  -8.721
  134    H    LEU  21           H        LEU  21  -4.096   5.535  -4.747
  135    HA   LEU  21           HA       LEU  21  -1.919   4.984  -3.054
  136   1HB   LEU  21          2HB       LEU  21  -4.717   5.861  -2.744
  137   2HB   LEU  21          1HB       LEU  21  -3.968   5.137  -1.331
  138    HG   LEU  21           HG       LEU  21  -2.489   7.266  -2.801
  139   1HD1  LEU  21          1HD1      LEU  21  -3.562   8.916  -1.241
  140   2HD1  LEU  21          2HD1      LEU  21  -4.569   8.358  -2.579
  141   3HD1  LEU  21          3HD1      LEU  21  -4.818   7.710  -0.957
  142   1HD2  LEU  21          1HD2      LEU  21  -1.288   7.416  -0.900
  143   2HD2  LEU  21          2HD2      LEU  21  -2.666   7.042   0.135
  144   3HD2  LEU  21          3HD2      LEU  21  -1.835   5.747  -0.728
  145    H    LEU  22           H        LEU  22  -1.447   3.426  -1.694
  146    HA   LEU  22           HA       LEU  22  -2.968   0.910  -1.892
  147   1HB   LEU  22          2HB       LEU  22  -0.226   1.486  -2.234
  148   2HB   LEU  22          1HB       LEU  22  -0.355   0.637  -0.708
  149    HG   LEU  22           HG       LEU  22  -1.393  -1.260  -1.791
  150   1HD1  LEU  22          1HD1      LEU  22  -1.230  -1.040  -4.452
  151   2HD1  LEU  22          2HD1      LEU  22  -2.692  -0.659  -3.540
  152   3HD1  LEU  22          3HD1      LEU  22  -1.608   0.634  -4.049
  153   1HD2  LEU  22          1HD2      LEU  22   0.661  -1.163  -3.733
  154   2HD2  LEU  22          2HD2      LEU  22   1.235  -0.315  -2.298
  155   3HD2  LEU  22          3HD2      LEU  22   0.663  -1.978  -2.170
  156    H    CYS  23           H        CYS  23  -4.230   0.638  -0.159
  157    HA   CYS  23           HA       CYS  23  -3.336   1.737   2.417
  158   1HB   CYS  23          2HB       CYS  23  -6.019   0.993   2.644
  159   2HB   CYS  23          1HB       CYS  23  -5.394   2.626   2.425
  160    HG   CYS  23           HG       CYS  23  -7.018   0.644   0.263
  161    H    CYS  24           H        CYS  24  -3.100   0.464   4.187
  162    HA   CYS  24           HA       CYS  24  -2.974  -2.379   3.817
  163   1HB   CYS  24          2HB       CYS  24  -1.320  -1.279   5.231
  164   2HB   CYS  24          1HB       CYS  24  -2.586  -0.661   6.282
  165    H    ASP  25           H        ASP  25  -4.218  -3.929   4.816
  166    HA   ASP  25           HA       ASP  25  -6.945  -3.152   5.411
  167   1HB   ASP  25          2HB       ASP  25  -6.436  -5.145   4.007
  168   2HB   ASP  25          1HB       ASP  25  -5.689  -5.906   5.408
  169    H    THR  26           H        THR  26  -4.103  -3.478   7.110
  170    HA   THR  26           HA       THR  26  -5.540  -4.038   9.618
  171    HB   THR  26           HB       THR  26  -2.696  -4.049   9.994
  172    HG1  THR  26           1HG      THR  26  -2.674  -4.633   7.736
  173   1HG2  THR  26          1HG2      THR  26  -4.848  -6.156  10.162
  174   2HG2  THR  26          2HG2      THR  26  -4.201  -5.178  11.481
  175   3HG2  THR  26          3HG2      THR  26  -3.189  -6.397  10.707
  176    H    CYS  27           H        CYS  27  -3.144  -1.930   8.074
  177    HA   CYS  27           HA       CYS  27  -3.274  -0.078  10.337
  178   1HB   CYS  27          2HB       CYS  27  -1.621   0.127   7.812
  179   2HB   CYS  27          1HB       CYS  27  -1.438   1.088   9.275
  180    HA   PRO  28           HA       PRO  28  -6.036   2.528   7.965
  181   1HB   PRO  28          2HB       PRO  28  -6.018   4.503   9.978
  182   2HB   PRO  28          1HB       PRO  28  -7.213   3.222   9.764
  183   1HG   PRO  28          2HG       PRO  28  -5.408   3.475  11.901
  184   2HG   PRO  28          1HG       PRO  28  -6.380   2.050  11.510
  185   1HD   PRO  28          2HD       PRO  28  -3.512   2.604  10.925
  186   2HD   PRO  28          1HD       PRO  28  -4.323   1.058  11.262
  187    H    SER  29           H        SER  29  -3.533   2.549   7.051
  188    HA   SER  29           HA       SER  29  -2.933   5.404   6.755
  189   1HB   SER  29          2HB       SER  29  -0.543   3.747   6.574
  190   2HB   SER  29          1HB       SER  29  -0.816   5.216   7.512
  191    HG   SER  29           HG       SER  29  -2.179   3.116   8.539
  192    H    SER  30           H        SER  30  -1.811   5.883   4.737
  193    HA   SER  30           HA       SER  30  -2.334   3.830   2.692
  194   1HB   SER  30          2HB       SER  30  -2.589   6.772   2.136
  195   2HB   SER  30          1HB       SER  30  -3.330   5.413   1.291
  196    HG   SER  30           HG       SER  30  -4.966   6.157   2.488
  197    H    TYR  31           H        TYR  31  -0.753   3.387   1.313
  198    HA   TYR  31           HA       TYR  31   1.618   5.145   1.250
  199   1HB   TYR  31          2HB       TYR  31   1.613   2.114   1.286
  200   2HB   TYR  31          1HB       TYR  31   3.037   3.146   1.212
  201    HD1  TYR  31           1HD      TYR  31   0.514   1.668   3.350
  202    HD2  TYR  31           2HD      TYR  31   3.694   4.486   3.183
  203    HE1  TYR  31           1HE      TYR  31   0.628   1.670   5.805
  204    HE2  TYR  31           2HE      TYR  31   3.815   4.504   5.635
  205    HH   TYR  31           HH       TYR  31   3.196   2.903   7.526
  206    H    HIS  32           H        HIS  32   2.963   3.212  -0.489
  207    HA   HIS  32           HA       HIS  32   1.328   3.087  -2.883
  208   1HB   HIS  32          2HB       HIS  32   3.712   4.846  -2.584
  209   2HB   HIS  32          1HB       HIS  32   3.564   3.946  -4.088
  210    HD2  HIS  32           2HD      HIS  32   0.675   4.339  -5.059
  211    HE1  HIS  32           1HE      HIS  32   1.067   8.415  -4.028
  212    HE2  HIS  32           2HE      HIS  32  -0.098   6.763  -5.553
  213    H    ILE  33           H        ILE  33   3.572   2.434  -4.573
  214    HA   ILE  33           HA       ILE  33   4.151  -0.218  -3.506
  215    HB   ILE  33           HB       ILE  33   5.083  -0.517  -5.917
  216   1HG1  ILE  33          2HG1      ILE  33   3.134   1.702  -6.497
  217   1HG2  ILE  33          1HG2      ILE  33   3.231  -1.725  -6.104
  218   2HG2  ILE  33          2HG2      ILE  33   2.586  -0.884  -4.694
  219   3HG2  ILE  33          3HG2      ILE  33   2.259  -0.268  -6.314
  220   1HD1  ILE  33          1HD1      ILE  33   3.648   0.239  -8.357
  221   2HD1  ILE  33          2HD1      ILE  33   4.325   1.848  -8.618
  222   3HD1  ILE  33          3HD1      ILE  33   5.374   0.518  -8.119
  223    H    HIS  34           H        HIS  34   5.659   2.783  -3.914
  224    HA   HIS  34           HA       HIS  34   8.305   1.554  -3.530
  225   1HB   HIS  34          2HB       HIS  34   9.028   3.882  -4.635
  226   2HB   HIS  34          1HB       HIS  34   8.701   2.446  -5.596
  227    HD2  HIS  34           2HD      HIS  34   6.204   5.224  -4.269
  228    HE1  HIS  34           1HE      HIS  34   5.693   4.641  -8.424
  229    HE2  HIS  34           2HE      HIS  34   5.071   6.091  -6.438
  230    H    CYS  35           H        CYS  35   5.976   3.192  -2.039
  231    HA   CYS  35           HA       CYS  35   7.734   5.025  -0.590
  232   1HB   CYS  35          2HB       CYS  35   4.730   4.843  -0.389
  233   2HB   CYS  35          1HB       CYS  35   5.769   6.186   0.091
  234    H    LEU  36           H        LEU  36   7.690   2.144  -0.340
  235    HA   LEU  36           HA       LEU  36   7.398   2.033   2.576
  236   1HB   LEU  36          2HB       LEU  36   7.286  -0.604   1.412
  237   2HB   LEU  36          1HB       LEU  36   6.184   0.154   2.543
  238    HG   LEU  36           HG       LEU  36   5.664   1.263  -0.016
  239   1HD1  LEU  36          1HD1      LEU  36   6.856  -0.924  -0.695
  240   2HD1  LEU  36          2HD1      LEU  36   5.393  -1.715  -0.109
  241   3HD1  LEU  36          3HD1      LEU  36   5.295  -0.544  -1.423
  242   1HD2  LEU  36          1HD2      LEU  36   3.499   0.708   0.495
  243   2HD2  LEU  36          2HD2      LEU  36   3.952  -0.816   1.258
  244   3HD2  LEU  36          3HD2      LEU  36   4.230   0.708   2.099
  245    H    ASN  37           H        ASN  37   8.662  -0.577   2.721
  246    HA   ASN  37           HA       ASN  37  11.390   0.254   2.251
  247   1HB   ASN  37          2HB       ASN  37  10.799  -0.981   4.309
  248   2HB   ASN  37          1HB       ASN  37  10.375  -2.383   3.328
  249   1HD2  ASN  37          1HD2      ASN  37  11.878  -3.843   3.796
  250   2HD2  ASN  37          2HD2      ASN  37  13.591  -3.587   3.703
  251    HA   PRO  38           HA       PRO  38  11.423  -3.203  -0.963
  252   1HB   PRO  38          2HB       PRO  38   9.384  -4.900  -1.306
  253   2HB   PRO  38          1HB       PRO  38  10.534  -5.097   0.021
  254   1HG   PRO  38          2HG       PRO  38   7.753  -4.041   0.062
  255   2HG   PRO  38          1HG       PRO  38   8.611  -4.993   1.282
  256   1HD   PRO  38          2HD       PRO  38   8.231  -2.214   1.308
  257   2HD   PRO  38          1HD       PRO  38   9.366  -3.124   2.321
  258    HA   PRO  39           HA       PRO  39   9.146  -0.797  -3.985
  259   1HB   PRO  39          2HB       PRO  39  11.049  -1.675  -5.963
  260   2HB   PRO  39          1HB       PRO  39  10.924  -0.094  -5.189
  261   1HG   PRO  39          2HG       PRO  39  13.006  -1.843  -4.794
  262   2HG   PRO  39          1HG       PRO  39  12.518  -0.591  -3.640
  263   1HD   PRO  39          2HD       PRO  39  11.905  -3.521  -3.626
  264   2HD   PRO  39          1HD       PRO  39  12.310  -2.444  -2.270
  265    H    LEU  40           H        LEU  40   7.274  -1.746  -4.572
  266    HA   LEU  40           HA       LEU  40   7.352  -4.345  -5.926
  267   1HB   LEU  40          2HB       LEU  40   4.744  -3.078  -5.384
  268   2HB   LEU  40          1HB       LEU  40   5.253  -4.740  -5.166
  269    HG   LEU  40           HG       LEU  40   6.263  -2.640  -3.287
  270   1HD1  LEU  40          1HD1      LEU  40   4.094  -2.101  -2.888
  271   2HD1  LEU  40          2HD1      LEU  40   3.482  -3.626  -3.528
  272   3HD1  LEU  40          3HD1      LEU  40   4.172  -3.565  -1.907
  273   1HD2  LEU  40          1HD2      LEU  40   6.946  -4.393  -2.071
  274   2HD2  LEU  40          2HD2      LEU  40   5.430  -5.265  -2.307
  275   3HD2  LEU  40          3HD2      LEU  40   6.691  -5.336  -3.539
  276    HA   PRO  41           HA       PRO  41   6.764  -2.253  -9.787
  277   1HB   PRO  41          2HB       PRO  41   6.345  -4.896 -10.958
  278   2HB   PRO  41          1HB       PRO  41   7.692  -3.779 -11.181
  279   1HG   PRO  41          2HG       PRO  41   7.947  -6.110  -9.836
  280   2HG   PRO  41          1HG       PRO  41   8.888  -4.662  -9.429
  281   1HD   PRO  41          2HD       PRO  41   6.425  -5.756  -8.106
  282   2HD   PRO  41          1HD       PRO  41   7.901  -5.095  -7.366
  283    H    GLU  42           H        GLU  42   4.527  -4.729  -8.647
  284    HA   GLU  42           HA       GLU  42   2.434  -3.681 -10.425
  285   1HB   GLU  42          2HB       GLU  42   2.260  -6.130  -8.670
  286   2HB   GLU  42          1HB       GLU  42   1.198  -5.680  -9.995
  287   1HG   GLU  42          2HG       GLU  42   2.806  -6.224 -11.615
  288   2HG   GLU  42          1HG       GLU  42   4.106  -6.283 -10.421
  289    H    ILE  43           H        ILE  43   0.600  -2.746  -9.635
  290    HA   ILE  43           HA       ILE  43   0.650  -2.007  -6.805
  291    HB   ILE  43           HB       ILE  43  -1.319  -0.516  -7.499
  292   1HG1  ILE  43          2HG1      ILE  43  -0.269  -0.520 -10.265
  293   1HG2  ILE  43          1HG2      ILE  43   1.544  -0.206  -8.096
  294   2HG2  ILE  43          2HG2      ILE  43   0.467   0.973  -8.845
  295   3HG2  ILE  43          3HG2      ILE  43   0.477   0.774  -7.093
  296   1HD1  ILE  43          1HD1      ILE  43  -3.093  -0.457  -9.234
  297   2HD1  ILE  43          2HD1      ILE  43  -2.097   0.969  -9.530
  298   3HD1  ILE  43          3HD1      ILE  43  -2.543  -0.089 -10.868
  299    HA   PRO  44           HA       PRO  44  -2.450  -5.229  -6.282
  300   1HB   PRO  44          2HB       PRO  44  -2.023  -4.842  -3.430
  301   2HB   PRO  44          1HB       PRO  44  -1.639  -6.246  -4.428
  302   1HG   PRO  44          2HG       PRO  44   0.268  -4.643  -3.334
  303   2HG   PRO  44          1HG       PRO  44   0.496  -5.522  -4.858
  304   1HD   PRO  44          2HD       PRO  44  -0.205  -2.644  -4.415
  305   2HD   PRO  44          1HD       PRO  44   0.923  -3.362  -5.586
  306    H    ASN  45           H        ASN  45  -3.879  -3.391  -7.044
  307    HA   ASN  45           HA       ASN  45  -5.119  -1.654  -5.174
  308   1HB   ASN  45          2HB       ASN  45  -5.136  -1.117  -7.542
  309   2HB   ASN  45          1HB       ASN  45  -6.013  -2.599  -7.909
  310   1HD2  ASN  45          1HD2      ASN  45  -6.329   0.267  -5.818
  311   2HD2  ASN  45          2HD2      ASN  45  -8.029   0.485  -6.113
  312    H    GLY  46           H        GLY  46  -6.309  -2.305  -3.539
  313   1HA   GLY  46          1HA       GLY  46  -8.691  -3.357  -3.302
  314   2HA   GLY  46          2HA       GLY  46  -7.817  -4.811  -3.767
  315    H    GLU  47           H        GLU  47  -8.118  -5.898  -1.842
  316    HA   GLU  47           HA       GLU  47  -7.441  -4.708   0.689
  317   1HB   GLU  47          2HB       GLU  47  -8.366  -7.381  -0.252
  318   2HB   GLU  47          1HB       GLU  47  -7.562  -7.293   1.309
  319   1HG   GLU  47          2HG       GLU  47  -9.217  -5.867   2.191
  320   2HG   GLU  47          1HG       GLU  47  -9.901  -5.553   0.595
  321    H    TRP  48           H        TRP  48  -5.276  -4.044   0.335
  322    HA   TRP  48           HA       TRP  48  -3.334  -6.247   0.205
  323   1HB   TRP  48          2HB       TRP  48  -2.881  -4.867  -1.644
  324   2HB   TRP  48          1HB       TRP  48  -3.240  -3.395  -0.754
  325    HD1  TRP  48           HD       TRP  48  -0.407  -5.843  -1.459
  326    HE1  TRP  48           1HE      TRP  48   1.793  -4.836  -0.580
  327    HE3  TRP  48           3HE      TRP  48  -2.315  -1.821   1.014
  328    HZ2  TRP  48           2HZ      TRP  48   2.605  -2.614   0.971
  329    HZ3  TRP  48           3HZ      TRP  48  -0.781  -0.305   2.167
  330    HH2  TRP  48           HH       TRP  48   1.636  -0.684   2.146
  331    H    LEU  49           H        LEU  49  -1.567  -6.161   1.683
  332    HA   LEU  49           HA       LEU  49  -1.999  -4.417   4.017
  333   1HB   LEU  49          2HB       LEU  49  -1.412  -7.381   3.983
  334   2HB   LEU  49          1HB       LEU  49  -1.254  -6.383   5.415
  335    HG   LEU  49           HG       LEU  49  -3.779  -5.789   4.858
  336   1HD1  LEU  49          1HD1      LEU  49  -3.317  -7.624   2.873
  337   2HD1  LEU  49          2HD1      LEU  49  -4.098  -8.586   4.129
  338   3HD1  LEU  49          3HD1      LEU  49  -4.898  -7.150   3.496
  339   1HD2  LEU  49          1HD2      LEU  49  -3.581  -8.463   6.036
  340   2HD2  LEU  49          2HD2      LEU  49  -2.507  -7.256   6.743
  341   3HD2  LEU  49          3HD2      LEU  49  -4.245  -6.971   6.702
  342    H    CYS  50           H        CYS  50  -0.044  -4.107   5.318
  343    HA   CYS  50           HA       CYS  50   2.180  -3.344   3.881
  344   1HB   CYS  50          2HB       CYS  50   2.149  -4.274   6.763
  345   2HB   CYS  50          1HB       CYS  50   3.395  -3.285   6.013
  346    HA   PRO  51           HA       PRO  51   4.553  -7.027   3.044
  347   1HB   PRO  51          2HB       PRO  51   7.083  -6.063   3.479
  348   2HB   PRO  51          1HB       PRO  51   6.163  -5.771   1.999
  349   1HG   PRO  51          2HG       PRO  51   6.557  -3.997   4.373
  350   2HG   PRO  51          1HG       PRO  51   6.554  -3.578   2.651
  351   1HD   PRO  51          2HD       PRO  51   4.433  -3.116   4.255
  352   2HD   PRO  51          1HD       PRO  51   4.247  -3.538   2.540
  353    H    ARG  52           H        ARG  52   4.483  -5.365   6.000
  354    HA   ARG  52           HA       ARG  52   5.834  -7.553   7.423
  355   1HB   ARG  52          2HB       ARG  52   5.228  -5.698   9.356
  356   2HB   ARG  52          1HB       ARG  52   6.780  -5.849   8.544
  357   1HG   ARG  52          2HG       ARG  52   6.315  -4.074   7.086
  358   2HG   ARG  52          1HG       ARG  52   4.591  -4.113   7.457
  359   1HD   ARG  52          2HD       ARG  52   6.003  -3.707   9.884
  360   2HD   ARG  52          1HD       ARG  52   6.640  -2.579   8.689
  361    HE   ARG  52           HE       ARG  52   4.336  -1.802   8.356
  362   1HH1  ARG  52          2HH1      ARG  52   5.122  -3.526  11.307
  363   2HH1  ARG  52          1HH1      ARG  52   3.783  -2.864  12.200
  364   1HH2  ARG  52          2HH2      ARG  52   2.570  -0.939   9.525
  365   2HH2  ARG  52          1HH2      ARG  52   2.322  -1.405  11.181
  366    H    CYS  53           H        CYS  53   2.779  -5.905   6.988
  367    HA   CYS  53           HA       CYS  53   1.431  -7.232   9.140
  368   1HB   CYS  53          2HB       CYS  53   0.540  -5.563   6.799
  369   2HB   CYS  53          1HB       CYS  53  -0.635  -6.402   7.809
  370    H    THR  54           H        THR  54   1.726  -7.668   5.671
  371    HA   THR  54           HA       THR  54   0.004  -9.936   5.521
  372    HB   THR  54           HB       THR  54   1.589  -8.325   3.693
  373    HG1  THR  54           1HG      THR  54  -0.189  -8.596   2.485
  374   1HG2  THR  54          1HG2      THR  54   2.869 -10.490   3.548
  375   2HG2  THR  54          2HG2      THR  54   2.142  -9.939   2.037
  376   3HG2  THR  54          3HG2      THR  54   1.386 -11.240   2.957
  377    H    CYS  55           H        CYS  55   0.443 -11.987   5.960
  378    HA   CYS  55           HA       CYS  55   3.242 -12.845   6.197
  379   1HB   CYS  55          2HB       CYS  55   1.104 -13.781   8.104
  380   2HB   CYS  55          1HB       CYS  55   2.850 -13.932   8.263
  381    HG   CYS  55           HG       CYS  55   1.438 -10.831   8.261
  382    HA   PRO  56           HA       PRO  56   2.338 -16.200   3.568
  383   1HB   PRO  56          2HB       PRO  56   3.436 -17.992   5.691
  384   2HB   PRO  56          1HB       PRO  56   3.850 -17.895   3.974
  385   1HG   PRO  56          2HG       PRO  56   5.459 -16.836   5.801
  386   2HG   PRO  56          1HG       PRO  56   5.168 -16.000   4.264
  387   1HD   PRO  56          2HD       PRO  56   4.106 -15.400   6.985
  388   2HD   PRO  56          1HD       PRO  56   4.539 -14.291   5.667
  389    H    ALA  57           H        ALA  57   1.555 -16.940   6.965
  390    HA   ALA  57           HA       ALA  57  -0.269 -19.013   6.296
  391   1HB   ALA  57          1HB       ALA  57  -0.825 -18.029   8.899
  392   2HB   ALA  57          2HB       ALA  57   0.018 -19.503   8.429
  393   3HB   ALA  57          3HB       ALA  57   0.921 -18.006   8.652
  394    H    LEU  58           H        LEU  58  -0.635 -15.732   5.931
  395    HA   LEU  58           HA       LEU  58  -3.552 -16.037   5.978
  396   1HB   LEU  58          2HB       LEU  58  -3.542 -13.499   6.595
  397   2HB   LEU  58          1HB       LEU  58  -3.407 -14.716   7.847
  398    HG   LEU  58           HG       LEU  58  -0.811 -13.856   6.837
  399   1HD1  LEU  58          1HD1      LEU  58  -0.811 -11.636   7.352
  400   2HD1  LEU  58          2HD1      LEU  58  -2.461 -11.792   6.751
  401   3HD1  LEU  58          3HD1      LEU  58  -2.151 -11.784   8.487
  402   1HD2  LEU  58          1HD2      LEU  58  -1.944 -13.711   9.623
  403   2HD2  LEU  58          2HD2      LEU  58  -1.344 -15.207   8.904
  404   3HD2  LEU  58          3HD2      LEU  58  -0.253 -13.842   9.137
  405    H    LYS  59           H        LYS  59  -1.465 -16.159   3.878
  406    HA   LYS  59           HA       LYS  59  -2.367 -13.893   2.227
  407   1HB   LYS  59          2HB       LYS  59   0.236 -15.047   2.644
  408   2HB   LYS  59          1HB       LYS  59  -0.206 -15.172   0.947
  409   1HG   LYS  59          2HG       LYS  59  -0.355 -12.613   2.516
  410   2HG   LYS  59          1HG       LYS  59   1.055 -13.107   1.578
  411   1HD   LYS  59          2HD       LYS  59   0.053 -12.681  -0.407
  412   2HD   LYS  59          1HD       LYS  59  -1.541 -13.181   0.167
  413   1HE   LYS  59          2HE       LYS  59  -1.943 -11.105   1.185
  414   2HE   LYS  59          1HE       LYS  59  -0.242 -10.645   1.117
  415   1HZ   LYS  59          1HZ       LYS  59  -0.442  -9.904  -0.974
  416   2HZ   LYS  59          2HZ       LYS  59  -2.102  -9.826  -0.632
  417   3HZ   LYS  59          3HZ       LYS  59  -1.467 -11.166  -1.454
  418    H    GLY  60           H        GLY  60  -4.002 -16.106   2.622
  419   1HA   GLY  60          1HA       GLY  60  -4.200 -17.055  -0.135
  420   2HA   GLY  60          2HA       GLY  60  -4.155 -18.265   1.140
  421    H    LYS  61           H        LYS  61  -6.237 -18.991   0.603
  422    HA   LYS  61           HA       LYS  61  -8.408 -17.107   1.249
  423   1HB   LYS  61          2HB       LYS  61  -8.462 -19.637  -0.411
  424   2HB   LYS  61          1HB       LYS  61  -9.882 -18.687   0.003
  425   1HG   LYS  61          2HG       LYS  61  -7.537 -17.685  -1.601
  426   2HG   LYS  61          1HG       LYS  61  -9.069 -18.247  -2.271
  427   1HD   LYS  61          2HD       LYS  61  -9.963 -16.430  -0.492
  428   2HD   LYS  61          1HD       LYS  61  -8.405 -15.716  -0.911
  429   1HE   LYS  61          2HE       LYS  61  -9.722 -16.631  -3.284
  430   2HE   LYS  61          1HE       LYS  61 -10.817 -15.601  -2.363
  431   1HZ   LYS  61          1HZ       LYS  61  -8.950 -13.957  -2.255
  432   2HZ   LYS  61          2HZ       LYS  61  -9.590 -14.207  -3.806
  433   3HZ   LYS  61          3HZ       LYS  61  -8.113 -14.917  -3.374
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -13.886  -4.808  -4.234
    2   2H    GLY   1          2H        GLY   1 -13.072  -3.967  -5.459
    3   3H    GLY   1          3H        GLY   1 -14.564  -4.696  -5.788
    4   1HA   GLY   1          2HA       GLY   1 -14.800  -2.304  -5.537
    5   2HA   GLY   1          1HA       GLY   1 -15.684  -3.182  -4.296
    6    HA   PRO   2           HA       PRO   2 -13.182  -0.015  -2.074
    7   1HB   PRO   2          2HB       PRO   2 -15.014   0.290  -0.058
    8   2HB   PRO   2          1HB       PRO   2 -15.028   1.230  -1.552
    9   1HG   PRO   2          2HG       PRO   2 -16.659  -1.147  -0.789
   10   2HG   PRO   2          1HG       PRO   2 -17.141   0.304  -1.686
   11   1HD   PRO   2          2HD       PRO   2 -16.619  -2.063  -2.898
   12   2HD   PRO   2          1HD       PRO   2 -16.315  -0.499  -3.676
   13    H    LEU   3           H        LEU   3 -11.813  -0.386  -0.423
   14    HA   LEU   3           HA       LEU   3 -11.500  -3.001   0.586
   15   1HB   LEU   3          2HB       LEU   3  -9.674  -1.345   0.293
   16   2HB   LEU   3          1HB       LEU   3 -10.320  -0.430   1.640
   17    HG   LEU   3           HG       LEU   3  -9.925  -3.101   2.528
   18   1HD1  LEU   3          1HD1      LEU   3  -7.464  -1.918   1.259
   19   2HD1  LEU   3          2HD1      LEU   3  -7.574  -3.425   2.169
   20   3HD1  LEU   3          3HD1      LEU   3  -8.374  -3.279   0.604
   21   1HD2  LEU   3          1HD2      LEU   3  -9.691  -1.623   4.217
   22   2HD2  LEU   3          2HD2      LEU   3  -7.993  -1.670   3.743
   23   3HD2  LEU   3          3HD2      LEU   3  -9.032  -0.368   3.168
   24    H    GLY   4           H        GLY   4 -12.739  -0.017   2.053
   25   1HA   GLY   4          1HA       GLY   4 -14.759  -0.373   3.462
   26   2HA   GLY   4          2HA       GLY   4 -13.873  -1.693   4.211
   27    H    SER   5           H        SER   5 -14.972   0.277   5.726
   28    HA   SER   5           HA       SER   5 -14.513   1.565   7.519
   29   1HB   SER   5          2HB       SER   5 -11.575   1.233   6.915
   30   2HB   SER   5          1HB       SER   5 -12.314   1.661   8.459
   31    HG   SER   5           HG       SER   5 -11.716  -0.742   7.599
   32    H    ASP   6           H        ASP   6 -12.301   2.347   4.849
   33    HA   ASP   6           HA       ASP   6 -11.742   4.302   3.847
   34   1HB   ASP   6          2HB       ASP   6 -14.357   4.257   3.660
   35   2HB   ASP   6          1HB       ASP   6 -14.272   5.587   4.812
   36    H    HIS   7           H        HIS   7 -10.580   3.986   6.232
   37    HA   HIS   7           HA       HIS   7 -10.604   6.689   7.393
   38   1HB   HIS   7          2HB       HIS   7  -9.697   5.695   9.467
   39   2HB   HIS   7          1HB       HIS   7 -11.276   5.038   9.063
   40    HD2  HIS   7           2HD      HIS   7  -9.274   2.999   6.836
   41    HE1  HIS   7           1HE      HIS   7  -8.782   1.142  10.607
   42    HE2  HIS   7           2HE      HIS   7  -8.444   0.887   8.105
   43    H    HIS   8           H        HIS   8  -9.237   5.631   5.044
   44    HA   HIS   8           HA       HIS   8  -6.453   5.616   5.865
   45   1HB   HIS   8          2HB       HIS   8  -7.852   5.091   3.249
   46   2HB   HIS   8          1HB       HIS   8  -6.100   5.256   3.354
   47    HD2  HIS   8           2HD      HIS   8  -4.758   3.181   4.634
   48    HE1  HIS   8           1HE      HIS   8  -8.168   0.699   4.985
   49    HE2  HIS   8           2HE      HIS   8  -5.669   0.859   5.363
   50    H    MET   9           H        MET   9  -4.942   7.043   5.045
   51    HA   MET   9           HA       MET   9  -5.661   9.734   5.172
   52   1HB   MET   9          2HB       MET   9  -3.128   8.529   4.046
   53   2HB   MET   9          1HB       MET   9  -3.331  10.198   4.559
   54   1HG   MET   9          2HG       MET   9  -2.687   9.632   6.587
   55   2HG   MET   9          1HG       MET   9  -4.097   8.585   6.731
   56   1HE   MET   9          1HE       MET   9  -0.706   7.617   8.072
   57   2HE   MET   9          2HE       MET   9  -2.393   7.934   8.477
   58   3HE   MET   9          3HE       MET   9  -1.829   6.274   8.285
   59    H    GLU  10           H        GLU  10  -5.447  11.409   3.598
   60    HA   GLU  10           HA       GLU  10  -6.527  10.658   1.011
   61   1HB   GLU  10          2HB       GLU  10  -5.656  13.437   1.735
   62   2HB   GLU  10          1HB       GLU  10  -6.962  12.933   0.672
   63   1HG   GLU  10          2HG       GLU  10  -8.250  12.186   2.601
   64   2HG   GLU  10          1HG       GLU  10  -6.935  12.675   3.669
   65    H    PHE  11           H        PHE  11  -3.511  10.912   2.350
   66    HA   PHE  11           HA       PHE  11  -2.258  10.874  -0.272
   67   1HB   PHE  11          2HB       PHE  11  -0.425  12.388   0.570
   68   2HB   PHE  11          1HB       PHE  11  -1.968  13.189   0.300
   69    HD1  PHE  11           1HD      PHE  11  -3.285  14.021   2.162
   70    HD2  PHE  11           2HD      PHE  11   0.457  12.091   2.799
   71    HE1  PHE  11           1HE      PHE  11  -3.234  14.881   4.466
   72    HE2  PHE  11           2HE      PHE  11   0.509  12.948   5.103
   73    HZ   PHE  11           HZ       PHE  11  -1.339  14.341   5.937
   74    H    CYS  12           H        CYS  12  -0.254   9.730  -0.251
   75    HA   CYS  12           HA       CYS  12  -0.164   7.743   1.796
   76   1HB   CYS  12          2HB       CYS  12   0.790   6.595   0.141
   77   2HB   CYS  12          1HB       CYS  12   0.832   8.046  -0.846
   78    HG   CYS  12           HG       CYS  12   3.333   8.265  -0.934
   79    H    ARG  13           H        ARG  13   0.995   7.679   3.562
   80    HA   ARG  13           HA       ARG  13   1.887   9.926   4.778
   81   1HB   ARG  13          2HB       ARG  13   1.491   7.415   5.579
   82   2HB   ARG  13          1HB       ARG  13   3.248   7.414   5.583
   83   1HG   ARG  13          2HG       ARG  13   2.833   9.689   6.912
   84   2HG   ARG  13          1HG       ARG  13   1.347   8.836   7.336
   85   1HD   ARG  13          2HD       ARG  13   4.183   7.950   7.807
   86   2HD   ARG  13          1HD       ARG  13   2.955   8.330   9.013
   87    HE   ARG  13           HE       ARG  13   3.092   5.904   7.361
   88   1HH1  ARG  13          2HH1      ARG  13   1.489   7.753   9.862
   89   2HH1  ARG  13          1HH1      ARG  13   0.706   6.374  10.575
   90   1HH2  ARG  13          2HH2      ARG  13   2.052   4.074   8.283
   91   2HH2  ARG  13          1HH2      ARG  13   0.999   4.283   9.657
   92    H    VAL  14           H        VAL  14   3.775   7.975   2.620
   93    HA   VAL  14           HA       VAL  14   6.308   8.925   3.543
   94    HB   VAL  14           HB       VAL  14   5.772   7.611   0.883
   95   1HG1  VAL  14          1HG1      VAL  14   8.141   6.662   1.809
   96   2HG1  VAL  14          2HG1      VAL  14   7.975   8.045   0.728
   97   3HG1  VAL  14          3HG1      VAL  14   8.151   8.299   2.463
   98   1HG2  VAL  14          1HG2      VAL  14   4.775   6.086   2.311
   99   2HG2  VAL  14          2HG2      VAL  14   6.440   5.508   2.250
  100   3HG2  VAL  14          3HG2      VAL  14   5.883   6.445   3.638
  101    H    CYS  15           H        CYS  15   5.017   9.213   0.236
  102    HA   CYS  15           HA       CYS  15   6.637  11.512  -0.222
  103   1HB   CYS  15          2HB       CYS  15   5.865  11.398  -2.495
  104   2HB   CYS  15          1HB       CYS  15   6.167   9.757  -1.939
  105    H    LYS  16           H        LYS  16   3.598  11.103   1.095
  106    HA   LYS  16           HA       LYS  16   1.944  12.487   1.751
  107   1HB   LYS  16          2HB       LYS  16   3.980  14.581   1.011
  108   2HB   LYS  16          1HB       LYS  16   2.393  14.994   1.645
  109   1HG   LYS  16          2HG       LYS  16   3.197  14.772   3.691
  110   2HG   LYS  16          1HG       LYS  16   3.441  13.051   3.377
  111   1HD   LYS  16          2HD       LYS  16   5.621  13.939   2.182
  112   2HD   LYS  16          1HD       LYS  16   5.387  15.303   3.276
  113   1HE   LYS  16          2HE       LYS  16   5.377  13.785   5.182
  114   2HE   LYS  16          1HE       LYS  16   5.575  12.408   4.098
  115   1HZ   LYS  16          1HZ       LYS  16   7.698  12.950   4.976
  116   2HZ   LYS  16          2HZ       LYS  16   7.515  14.595   4.595
  117   3HZ   LYS  16          3HZ       LYS  16   7.693  13.450   3.358
  118    H    ASP  17           H        ASP  17   2.320  11.558  -1.057
  119    HA   ASP  17           HA       ASP  17   0.383  13.389  -2.288
  120   1HB   ASP  17          2HB       ASP  17   2.051  13.630  -3.832
  121   2HB   ASP  17          1HB       ASP  17   2.808  12.101  -3.407
  122    H    GLY  18           H        GLY  18  -1.365  12.436  -3.364
  123   1HA   GLY  18          1HA       GLY  18  -2.000   9.774  -2.337
  124   2HA   GLY  18          2HA       GLY  18  -3.147  10.937  -3.009
  125    H    GLY  19           H        GLY  19  -4.028  10.200  -4.814
  126   1HA   GLY  19          1HA       GLY  19  -4.012   9.591  -7.067
  127   2HA   GLY  19          2HA       GLY  19  -2.300   9.237  -6.937
  128    H    GLU  20           H        GLU  20  -1.768   7.186  -7.086
  129    HA   GLU  20           HA       GLU  20  -3.775   5.102  -6.865
  130   1HB   GLU  20          2HB       GLU  20  -1.399   5.415  -8.297
  131   2HB   GLU  20          1HB       GLU  20  -1.030   4.188  -7.095
  132   1HG   GLU  20          2HG       GLU  20  -1.771   2.983  -8.940
  133   2HG   GLU  20          1HG       GLU  20  -3.156   3.018  -7.850
  134    H    LEU  21           H        LEU  21  -4.052   5.784  -4.534
  135    HA   LEU  21           HA       LEU  21  -1.913   5.236  -2.753
  136   1HB   LEU  21          2HB       LEU  21  -4.683   6.217  -2.526
  137   2HB   LEU  21          1HB       LEU  21  -4.023   5.436  -1.098
  138    HG   LEU  21           HG       LEU  21  -2.593   7.667  -2.529
  139   1HD1  LEU  21          1HD1      LEU  21  -3.410   9.014  -0.523
  140   2HD1  LEU  21          2HD1      LEU  21  -4.543   8.739  -1.848
  141   3HD1  LEU  21          3HD1      LEU  21  -4.667   7.783  -0.371
  142   1HD2  LEU  21          1HD2      LEU  21  -1.450   6.004  -0.951
  143   2HD2  LEU  21          2HD2      LEU  21  -1.211   7.729  -0.664
  144   3HD2  LEU  21          3HD2      LEU  21  -2.351   6.820   0.329
  145    H    LEU  22           H        LEU  22  -1.392   3.543  -1.672
  146    HA   LEU  22           HA       LEU  22  -2.948   1.093  -1.972
  147   1HB   LEU  22          2HB       LEU  22  -0.186   1.739  -1.700
  148   2HB   LEU  22          1HB       LEU  22  -0.642   0.744  -0.332
  149    HG   LEU  22           HG       LEU  22  -1.225  -1.075  -1.697
  150   1HD1  LEU  22          1HD1      LEU  22  -0.922  -0.546  -4.324
  151   2HD1  LEU  22          2HD1      LEU  22  -2.470  -0.510  -3.481
  152   3HD1  LEU  22          3HD1      LEU  22  -1.584   0.989  -3.759
  153   1HD2  LEU  22          1HD2      LEU  22   0.975  -1.406  -1.809
  154   2HD2  LEU  22          2HD2      LEU  22   0.840  -0.847  -3.477
  155   3HD2  LEU  22          3HD2      LEU  22   1.300   0.283  -2.203
  156    H    CYS  23           H        CYS  23  -4.202   0.295  -0.404
  157    HA   CYS  23           HA       CYS  23  -4.068   1.616   2.229
  158   1HB   CYS  23          2HB       CYS  23  -6.639   0.482   1.806
  159   2HB   CYS  23          1HB       CYS  23  -6.210   2.182   1.948
  160    HG   CYS  23           HG       CYS  23  -5.817   0.666  -1.065
  161    H    CYS  24           H        CYS  24  -3.635   0.341   3.903
  162    HA   CYS  24           HA       CYS  24  -3.441  -2.496   3.626
  163   1HB   CYS  24          2HB       CYS  24  -1.960  -1.172   5.120
  164   2HB   CYS  24          1HB       CYS  24  -3.347  -0.814   6.136
  165    H    ASP  25           H        ASP  25  -4.837  -4.027   4.196
  166    HA   ASP  25           HA       ASP  25  -7.559  -3.323   4.797
  167   1HB   ASP  25          2HB       ASP  25  -6.720  -5.335   3.410
  168   2HB   ASP  25          1HB       ASP  25  -6.411  -6.104   4.966
  169    H    THR  26           H        THR  26  -4.787  -3.693   6.611
  170    HA   THR  26           HA       THR  26  -6.259  -4.525   9.011
  171    HB   THR  26           HB       THR  26  -3.398  -4.228   9.378
  172    HG1  THR  26           1HG      THR  26  -3.224  -4.768   7.191
  173   1HG2  THR  26          1HG2      THR  26  -3.910  -5.826  10.841
  174   2HG2  THR  26          2HG2      THR  26  -4.274  -6.929   9.513
  175   3HG2  THR  26          3HG2      THR  26  -5.545  -5.908  10.186
  176    H    CYS  27           H        CYS  27  -3.667  -2.219   8.144
  177    HA   CYS  27           HA       CYS  27  -4.553  -0.505  10.353
  178   1HB   CYS  27          2HB       CYS  27  -2.095   0.180   8.858
  179   2HB   CYS  27          1HB       CYS  27  -2.404   0.189  10.590
  180    HA   PRO  28           HA       PRO  28  -6.062   2.581   7.577
  181   1HB   PRO  28          2HB       PRO  28  -5.403   4.729   9.373
  182   2HB   PRO  28          1HB       PRO  28  -6.966   3.948   9.131
  183   1HG   PRO  28          2HG       PRO  28  -5.480   3.767  11.438
  184   2HG   PRO  28          1HG       PRO  28  -6.697   2.583  10.933
  185   1HD   PRO  28          2HD       PRO  28  -3.721   2.465  10.689
  186   2HD   PRO  28          1HD       PRO  28  -4.875   1.172  11.082
  187    H    SER  29           H        SER  29  -3.009   1.979   7.632
  188    HA   SER  29           HA       SER  29  -1.877   4.559   6.975
  189   1HB   SER  29          2HB       SER  29  -0.099   2.480   6.252
  190   2HB   SER  29          1HB       SER  29  -0.017   3.519   7.674
  191    HG   SER  29           HG       SER  29  -0.715   0.890   7.463
  192    H    SER  30           H        SER  30  -1.579   5.356   5.004
  193    HA   SER  30           HA       SER  30  -2.200   3.623   2.707
  194   1HB   SER  30          2HB       SER  30  -2.442   6.590   2.500
  195   2HB   SER  30          1HB       SER  30  -3.387   5.322   1.711
  196    HG   SER  30           HG       SER  30  -3.715   5.168   4.363
  197    H    TYR  31           H        TYR  31  -0.563   3.243   1.422
  198    HA   TYR  31           HA       TYR  31   1.727   5.109   1.448
  199   1HB   TYR  31          2HB       TYR  31   1.738   2.085   1.435
  200   2HB   TYR  31          1HB       TYR  31   3.166   3.078   1.182
  201    HD1  TYR  31           1HD      TYR  31   3.342   5.014   3.130
  202    HD2  TYR  31           2HD      TYR  31   1.567   1.170   3.527
  203    HE1  TYR  31           1HE      TYR  31   3.735   5.087   5.558
  204    HE2  TYR  31           2HE      TYR  31   1.951   1.235   5.948
  205    HH   TYR  31           HH       TYR  31   3.854   2.639   7.465
  206    H    HIS  32           H        HIS  32   3.229   3.560  -0.426
  207    HA   HIS  32           HA       HIS  32   1.571   3.410  -2.821
  208   1HB   HIS  32          2HB       HIS  32   3.880   5.251  -2.438
  209   2HB   HIS  32          1HB       HIS  32   3.790   4.397  -3.974
  210    HD2  HIS  32           2HD      HIS  32   0.914   4.676  -4.974
  211    HE1  HIS  32           1HE      HIS  32   1.027   8.718  -3.760
  212    HE2  HIS  32           2HE      HIS  32  -0.005   7.067  -5.369
  213    H    ILE  33           H        ILE  33   3.025   2.404  -4.646
  214    HA   ILE  33           HA       ILE  33   4.060  -0.044  -3.551
  215    HB   ILE  33           HB       ILE  33   4.540  -0.569  -5.987
  216   1HG1  ILE  33          2HG1      ILE  33   2.809   1.821  -6.587
  217   1HG2  ILE  33          1HG2      ILE  33   1.731   0.163  -5.170
  218   2HG2  ILE  33          2HG2      ILE  33   2.155  -0.899  -6.513
  219   3HG2  ILE  33          3HG2      ILE  33   2.551  -1.368  -4.860
  220   1HD1  ILE  33          1HD1      ILE  33   4.067   1.620  -8.791
  221   2HD1  ILE  33          2HD1      ILE  33   4.565   0.025  -8.222
  222   3HD1  ILE  33          3HD1      ILE  33   2.852   0.392  -8.430
  223    H    HIS  34           H        HIS  34   5.359   2.967  -4.411
  224    HA   HIS  34           HA       HIS  34   8.086   1.863  -4.384
  225   1HB   HIS  34          2HB       HIS  34   8.560   4.090  -5.721
  226   2HB   HIS  34          1HB       HIS  34   7.990   2.648  -6.547
  227    HD2  HIS  34           2HD      HIS  34   5.869   5.483  -4.773
  228    HE1  HIS  34           1HE      HIS  34   4.557   4.925  -8.755
  229    HE2  HIS  34           2HE      HIS  34   4.360   6.379  -6.693
  230    H    CYS  35           H        CYS  35   6.097   3.226  -2.386
  231    HA   CYS  35           HA       CYS  35   7.947   5.305  -1.464
  232   1HB   CYS  35          2HB       CYS  35   4.986   4.947  -1.025
  233   2HB   CYS  35          1HB       CYS  35   5.952   6.049  -0.060
  234    H    LEU  36           H        LEU  36   7.145   2.149  -0.863
  235    HA   LEU  36           HA       LEU  36   7.803   2.366   1.995
  236   1HB   LEU  36          2HB       LEU  36   7.434  -0.353   1.212
  237   2HB   LEU  36          1HB       LEU  36   6.507   0.594   2.357
  238    HG   LEU  36           HG       LEU  36   5.652   1.318  -0.256
  239   1HD1  LEU  36          1HD1      LEU  36   4.871  -1.448  -0.097
  240   2HD1  LEU  36          2HD1      LEU  36   5.553  -0.550  -1.454
  241   3HD1  LEU  36          3HD1      LEU  36   6.621  -1.302  -0.268
  242   1HD2  LEU  36          1HD2      LEU  36   3.525   0.348   0.588
  243   2HD2  LEU  36          2HD2      LEU  36   4.406  -0.223   2.004
  244   3HD2  LEU  36          3HD2      LEU  36   4.277   1.505   1.685
  245    H    ASN  37           H        ASN  37   9.024  -0.066   2.388
  246    HA   ASN  37           HA       ASN  37  11.620   0.395   1.243
  247   1HB   ASN  37          2HB       ASN  37  11.248  -0.330   3.633
  248   2HB   ASN  37          1HB       ASN  37  10.803  -1.912   3.004
  249   1HD2  ASN  37          1HD2      ASN  37  13.419   0.479   2.873
  250   2HD2  ASN  37          2HD2      ASN  37  14.706  -0.687   2.821
  251    HA   PRO  38           HA       PRO  38  10.682  -3.865  -0.914
  252   1HB   PRO  38          2HB       PRO  38   7.751  -3.983  -0.656
  253   2HB   PRO  38          1HB       PRO  38   8.941  -5.272  -0.448
  254   1HG   PRO  38          2HG       PRO  38   7.661  -4.247   1.650
  255   2HG   PRO  38          1HG       PRO  38   9.379  -4.669   1.758
  256   1HD   PRO  38          2HD       PRO  38   8.105  -1.989   1.344
  257   2HD   PRO  38          1HD       PRO  38   9.427  -2.446   2.441
  258    HA   PRO  39           HA       PRO  39   9.195  -1.317  -4.274
  259   1HB   PRO  39          2HB       PRO  39  10.745  -2.419  -6.184
  260   2HB   PRO  39          1HB       PRO  39  11.405  -1.381  -4.914
  261   1HG   PRO  39          2HG       PRO  39  11.671  -4.284  -5.281
  262   2HG   PRO  39          1HG       PRO  39  12.670  -3.177  -4.332
  263   1HD   PRO  39          2HD       PRO  39  10.557  -4.926  -3.422
  264   2HD   PRO  39          1HD       PRO  39  11.634  -3.896  -2.458
  265    H    LEU  40           H        LEU  40   7.060  -1.902  -4.628
  266    HA   LEU  40           HA       LEU  40   6.521  -4.407  -6.035
  267   1HB   LEU  40          2HB       LEU  40   4.383  -2.432  -5.363
  268   2HB   LEU  40          1HB       LEU  40   4.295  -4.180  -5.443
  269    HG   LEU  40           HG       LEU  40   5.877  -2.828  -3.281
  270   1HD1  LEU  40          1HD1      LEU  40   3.672  -3.324  -1.945
  271   2HD1  LEU  40          2HD1      LEU  40   3.888  -1.800  -2.807
  272   3HD1  LEU  40          3HD1      LEU  40   2.923  -3.090  -3.526
  273   1HD2  LEU  40          1HD2      LEU  40   4.855  -5.009  -2.165
  274   2HD2  LEU  40          2HD2      LEU  40   4.819  -5.539  -3.848
  275   3HD2  LEU  40          3HD2      LEU  40   6.345  -5.046  -3.111
  276    HA   PRO  41           HA       PRO  41   6.803  -2.093  -9.822
  277   1HB   PRO  41          2HB       PRO  41   5.887  -4.583 -11.087
  278   2HB   PRO  41          1HB       PRO  41   7.413  -3.720 -11.291
  279   1HG   PRO  41          2HG       PRO  41   7.276  -6.067  -9.991
  280   2HG   PRO  41          1HG       PRO  41   8.410  -4.792  -9.508
  281   1HD   PRO  41          2HD       PRO  41   5.779  -5.555  -8.291
  282   2HD   PRO  41          1HD       PRO  41   7.303  -5.111  -7.491
  283    H    GLU  42           H        GLU  42   4.039  -4.013  -8.885
  284    HA   GLU  42           HA       GLU  42   2.311  -2.161 -10.369
  285   1HB   GLU  42          2HB       GLU  42   2.514  -4.999 -10.713
  286   2HB   GLU  42          1HB       GLU  42   0.937  -4.624 -10.033
  287   1HG   GLU  42          2HG       GLU  42   2.105  -3.838 -12.657
  288   2HG   GLU  42          1HG       GLU  42   0.526  -4.529 -12.288
  289    H    ILE  43           H        ILE  43   0.092  -2.060  -9.416
  290    HA   ILE  43           HA       ILE  43   0.336  -1.980  -6.511
  291    HB   ILE  43           HB       ILE  43  -1.829  -0.777  -6.557
  292   1HG1  ILE  43          2HG1      ILE  43  -1.949  -0.043  -9.298
  293   1HG2  ILE  43          1HG2      ILE  43  -0.145   0.650  -8.539
  294   2HG2  ILE  43          2HG2      ILE  43  -0.874   1.231  -7.040
  295   3HG2  ILE  43          3HG2      ILE  43   0.573   0.225  -6.985
  296   1HD1  ILE  43          1HD1      ILE  43  -3.924   0.091  -8.078
  297   2HD1  ILE  43          2HD1      ILE  43  -4.175  -1.270  -9.170
  298   3HD1  ILE  43          3HD1      ILE  43  -3.776  -1.561  -7.476
  299    HA   PRO  44           HA       PRO  44  -1.798  -5.844  -6.104
  300   1HB   PRO  44          2HB       PRO  44  -2.215  -5.025  -3.307
  301   2HB   PRO  44          1HB       PRO  44  -1.319  -6.405  -3.948
  302   1HG   PRO  44          2HG       PRO  44  -0.064  -4.305  -2.843
  303   2HG   PRO  44          1HG       PRO  44   0.625  -5.190  -4.218
  304   1HD   PRO  44          2HD       PRO  44  -0.827  -2.569  -4.183
  305   2HD   PRO  44          1HD       PRO  44   0.619  -3.042  -5.102
  306    H    ASN  45           H        ASN  45  -3.736  -5.692  -7.135
  307    HA   ASN  45           HA       ASN  45  -5.775  -3.865  -6.248
  308   1HB   ASN  45          2HB       ASN  45  -5.258  -5.437  -8.592
  309   2HB   ASN  45          1HB       ASN  45  -6.886  -5.779  -8.022
  310   1HD2  ASN  45          1HD2      ASN  45  -6.458  -4.582 -10.432
  311   2HD2  ASN  45          2HD2      ASN  45  -6.994  -2.931 -10.378
  312    H    GLY  46           H        GLY  46  -7.352  -4.240  -4.848
  313   1HA   GLY  46          1HA       GLY  46  -9.096  -5.849  -4.091
  314   2HA   GLY  46          2HA       GLY  46  -7.803  -7.042  -4.004
  315    H    GLU  47           H        GLU  47  -6.326  -6.961  -2.320
  316    HA   GLU  47           HA       GLU  47  -6.708  -4.912  -0.274
  317   1HB   GLU  47          2HB       GLU  47  -7.139  -7.851   0.057
  318   2HB   GLU  47          1HB       GLU  47  -6.451  -6.940   1.393
  319   1HG   GLU  47          2HG       GLU  47  -8.530  -6.502   2.003
  320   2HG   GLU  47          1HG       GLU  47  -8.613  -5.417   0.616
  321    H    TRP  48           H        TRP  48  -4.809  -4.181   0.445
  322    HA   TRP  48           HA       TRP  48  -2.494  -5.973   0.325
  323   1HB   TRP  48          2HB       TRP  48  -2.088  -4.547  -1.520
  324   2HB   TRP  48          1HB       TRP  48  -2.736  -3.140  -0.688
  325    HD1  TRP  48           HD       TRP  48   0.474  -5.169  -1.086
  326    HE1  TRP  48           1HE      TRP  48   2.416  -3.849  -0.013
  327    HE3  TRP  48           3HE      TRP  48  -2.226  -1.459   1.130
  328    HZ2  TRP  48           2HZ      TRP  48   2.736  -1.540   1.582
  329    HZ3  TRP  48           3HZ      TRP  48  -1.043   0.261   2.400
  330    HH2  TRP  48           HH       TRP  48   1.389   0.234   2.623
  331    H    LEU  49           H        LEU  49  -0.851  -5.359   1.954
  332    HA   LEU  49           HA       LEU  49  -1.934  -3.744   4.160
  333   1HB   LEU  49          2HB       LEU  49  -0.322  -6.093   4.929
  334   2HB   LEU  49          1HB       LEU  49  -1.732  -5.399   5.705
  335    HG   LEU  49           HG       LEU  49  -2.094  -6.897   3.147
  336   1HD1  LEU  49          1HD1      LEU  49  -0.642  -8.116   5.025
  337   2HD1  LEU  49          2HD1      LEU  49  -2.255  -8.439   5.665
  338   3HD1  LEU  49          3HD1      LEU  49  -1.832  -8.963   4.035
  339   1HD2  LEU  49          1HD2      LEU  49  -4.186  -7.574   4.432
  340   2HD2  LEU  49          2HD2      LEU  49  -3.724  -6.345   5.610
  341   3HD2  LEU  49          3HD2      LEU  49  -4.056  -5.886   3.940
  342    H    CYS  50           H        CYS  50  -0.337  -2.659   5.411
  343    HA   CYS  50           HA       CYS  50   1.911  -1.755   4.092
  344   1HB   CYS  50          2HB       CYS  50   2.249  -1.859   7.027
  345   2HB   CYS  50          1HB       CYS  50   2.365  -0.496   5.930
  346    HA   PRO  51           HA       PRO  51   4.983  -4.840   4.148
  347   1HB   PRO  51          2HB       PRO  51   7.264  -3.447   4.795
  348   2HB   PRO  51          1HB       PRO  51   6.492  -3.424   3.207
  349   1HG   PRO  51          2HG       PRO  51   6.279  -1.455   5.449
  350   2HG   PRO  51          1HG       PRO  51   6.444  -1.154   3.708
  351   1HD   PRO  51          2HD       PRO  51   4.078  -0.938   4.938
  352   2HD   PRO  51          1HD       PRO  51   4.205  -1.600   3.295
  353    H    ARG  52           H        ARG  52   3.627  -5.027   6.524
  354    HA   ARG  52           HA       ARG  52   5.534  -6.411   8.097
  355   1HB   ARG  52          2HB       ARG  52   5.397  -5.181  10.185
  356   2HB   ARG  52          1HB       ARG  52   6.009  -4.127   8.918
  357   1HG   ARG  52          2HG       ARG  52   3.173  -3.887   9.021
  358   2HG   ARG  52          1HG       ARG  52   3.831  -3.701  10.649
  359   1HD   ARG  52          2HD       ARG  52   4.950  -1.789  10.126
  360   2HD   ARG  52          1HD       ARG  52   5.219  -2.273   8.451
  361    HE   ARG  52           HE       ARG  52   2.859  -1.698   8.041
  362   1HH1  ARG  52          2HH1      ARG  52   4.455  -0.347  10.852
  363   2HH1  ARG  52          1HH1      ARG  52   3.360   1.000  10.986
  364   1HH2  ARG  52          2HH2      ARG  52   1.424   0.071   8.196
  365   2HH2  ARG  52          1HH2      ARG  52   1.633   1.228   9.482
  366    H    CYS  53           H        CYS  53   2.331  -5.307   7.493
  367    HA   CYS  53           HA       CYS  53   1.052  -6.951   9.477
  368   1HB   CYS  53          2HB       CYS  53  -0.549  -5.942   7.235
  369   2HB   CYS  53          1HB       CYS  53  -0.709  -5.628   8.968
  370    H    THR  54           H        THR  54   2.515  -7.473   6.587
  371    HA   THR  54           HA       THR  54   0.925  -9.362   5.267
  372    HB   THR  54           HB       THR  54   3.644  -9.992   4.864
  373    HG1  THR  54           1HG      THR  54   4.604  -7.964   4.683
  374   1HG2  THR  54          1HG2      THR  54   3.220  -8.564   2.773
  375   2HG2  THR  54          2HG2      THR  54   1.588  -8.361   3.415
  376   3HG2  THR  54          3HG2      THR  54   2.195  -9.976   3.035
  377    H    CYS  55           H        CYS  55   3.470  -9.676   7.688
  378    HA   CYS  55           HA       CYS  55   2.527 -12.386   8.284
  379   1HB   CYS  55          2HB       CYS  55   5.318 -12.278   8.801
  380   2HB   CYS  55          1HB       CYS  55   4.470 -13.292   7.639
  381    HG   CYS  55           HG       CYS  55   6.400 -12.218   6.112
  382    HA   PRO  56           HA       PRO  56   2.095 -11.004  12.413
  383   1HB   PRO  56          2HB       PRO  56   3.321 -13.198  13.701
  384   2HB   PRO  56          1HB       PRO  56   1.606 -13.007  13.332
  385   1HG   PRO  56          2HG       PRO  56   3.706 -14.495  11.847
  386   2HG   PRO  56          1HG       PRO  56   1.982 -14.861  12.030
  387   1HD   PRO  56          2HD       PRO  56   2.949 -13.877   9.739
  388   2HD   PRO  56          1HD       PRO  56   1.363 -13.364  10.358
  389    H    ALA  57           H        ALA  57   3.337  -9.318  12.905
  390    HA   ALA  57           HA       ALA  57   6.230  -9.601  13.122
  391   1HB   ALA  57          1HB       ALA  57   6.371  -7.309  12.977
  392   2HB   ALA  57          2HB       ALA  57   4.889  -7.609  12.068
  393   3HB   ALA  57          3HB       ALA  57   4.801  -7.057  13.741
  394    H    LEU  58           H        LEU  58   5.940 -11.098  14.924
  395    HA   LEU  58           HA       LEU  58   4.830 -10.319  17.392
  396   1HB   LEU  58          2HB       LEU  58   7.078 -12.240  17.434
  397   2HB   LEU  58          1HB       LEU  58   5.481 -12.363  18.148
  398    HG   LEU  58           HG       LEU  58   5.491 -12.483  15.214
  399   1HD1  LEU  58          1HD1      LEU  58   6.343 -15.023  16.422
  400   2HD1  LEU  58          2HD1      LEU  58   6.731 -14.320  14.851
  401   3HD1  LEU  58          3HD1      LEU  58   7.589 -13.782  16.294
  402   1HD2  LEU  58          1HD2      LEU  58   3.459 -13.082  15.997
  403   2HD2  LEU  58          2HD2      LEU  58   4.212 -14.675  16.057
  404   3HD2  LEU  58          3HD2      LEU  58   4.104 -13.696  17.519
  405    H    LYS  59           H        LYS  59   5.499  -8.582  18.454
  406    HA   LYS  59           HA       LYS  59   6.799  -7.035  19.469
  407   1HB   LYS  59          2HB       LYS  59   8.659  -9.403  19.689
  408   2HB   LYS  59          1HB       LYS  59   8.973  -7.853  20.457
  409   1HG   LYS  59          2HG       LYS  59   6.429  -9.357  20.949
  410   2HG   LYS  59          1HG       LYS  59   7.903  -9.698  21.860
  411   1HD   LYS  59          2HD       LYS  59   7.938  -7.569  22.823
  412   2HD   LYS  59          1HD       LYS  59   6.826  -6.904  21.623
  413   1HE   LYS  59          2HE       LYS  59   5.103  -8.527  22.576
  414   2HE   LYS  59          1HE       LYS  59   6.225  -8.752  23.916
  415   1HZ   LYS  59          1HZ       LYS  59   5.274  -6.069  23.091
  416   2HZ   LYS  59          2HZ       LYS  59   6.026  -6.514  24.543
  417   3HZ   LYS  59          3HZ       LYS  59   4.438  -7.016  24.226
  418    H    GLY  60           H        GLY  60   6.753  -6.687  16.846
  419   1HA   GLY  60          1HA       GLY  60   9.514  -6.450  15.901
  420   2HA   GLY  60          2HA       GLY  60   8.068  -6.306  14.913
  421    H    LYS  61           H        LYS  61   8.827  -4.391  13.990
  422    HA   LYS  61           HA       LYS  61   9.396  -2.090  15.650
  423   1HB   LYS  61          2HB       LYS  61   8.948  -2.066  12.669
  424   2HB   LYS  61          1HB       LYS  61   9.892  -0.941  13.635
  425   1HG   LYS  61          2HG       LYS  61  10.665  -3.825  13.434
  426   2HG   LYS  61          1HG       LYS  61  11.123  -2.662  12.188
  427   1HD   LYS  61          2HD       LYS  61  12.849  -2.043  13.443
  428   2HD   LYS  61          1HD       LYS  61  11.723  -1.480  14.679
  429   1HE   LYS  61          2HE       LYS  61  11.757  -4.219  15.025
  430   2HE   LYS  61          1HE       LYS  61  13.434  -3.829  14.640
  431   1HZ   LYS  61          1HZ       LYS  61  13.519  -2.296  16.439
  432   2HZ   LYS  61          2HZ       LYS  61  12.882  -3.751  17.044
  433   3HZ   LYS  61          3HZ       LYS  61  11.853  -2.441  16.735
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -18.358  -6.970   5.203
    2   2H    GLY   1          2H        GLY   1 -18.062  -7.877   6.605
    3   3H    GLY   1          3H        GLY   1 -17.028  -8.023   5.262
    4   1HA   GLY   1          2HA       GLY   1 -17.371  -5.631   6.984
    5   2HA   GLY   1          1HA       GLY   1 -15.961  -6.684   6.926
    6    HA   PRO   2           HA       PRO   2 -15.700  -3.201   3.714
    7   1HB   PRO   2          2HB       PRO   2 -13.863  -1.738   5.414
    8   2HB   PRO   2          1HB       PRO   2 -15.419  -1.215   4.767
    9   1HG   PRO   2          2HG       PRO   2 -14.966  -1.691   7.416
   10   2HG   PRO   2          1HG       PRO   2 -16.555  -1.845   6.645
   11   1HD   PRO   2          2HD       PRO   2 -14.584  -3.979   7.379
   12   2HD   PRO   2          1HD       PRO   2 -16.358  -3.980   7.513
   13    H    LEU   3           H        LEU   3 -14.536  -5.190   2.926
   14    HA   LEU   3           HA       LEU   3 -11.728  -5.411   3.493
   15   1HB   LEU   3          2HB       LEU   3 -13.010  -7.405   2.981
   16   2HB   LEU   3          1HB       LEU   3 -13.476  -6.748   1.423
   17    HG   LEU   3           HG       LEU   3 -10.661  -6.737   1.448
   18   1HD1  LEU   3          1HD1      LEU   3 -11.695  -9.436   2.284
   19   2HD1  LEU   3          2HD1      LEU   3 -10.021  -8.950   2.008
   20   3HD1  LEU   3          3HD1      LEU   3 -10.910  -8.310   3.391
   21   1HD2  LEU   3          1HD2      LEU   3 -12.516  -8.724   0.149
   22   2HD2  LEU   3          2HD2      LEU   3 -12.221  -7.093  -0.454
   23   3HD2  LEU   3          3HD2      LEU   3 -10.901  -8.259  -0.387
   24    H    GLY   4           H        GLY   4 -10.094  -4.472   2.466
   25   1HA   GLY   4          1HA       GLY   4  -9.257  -3.869   0.149
   26   2HA   GLY   4          2HA       GLY   4 -10.734  -2.920   0.035
   27    H    SER   5           H        SER   5 -11.026  -1.544   2.162
   28    HA   SER   5           HA       SER   5 -10.383   0.291   3.313
   29   1HB   SER   5          2HB       SER   5  -7.704  -1.087   3.559
   30   2HB   SER   5          1HB       SER   5  -8.412   0.093   4.665
   31    HG   SER   5           HG       SER   5  -9.038  -2.624   4.286
   32    H    ASP   6           H        ASP   6 -10.519   1.285   1.071
   33    HA   ASP   6           HA       ASP   6  -7.933   2.179   0.053
   34   1HB   ASP   6          2HB       ASP   6  -8.966   2.598  -1.939
   35   2HB   ASP   6          1HB       ASP   6 -10.110   1.425  -1.300
   36    H    HIS   7           H        HIS   7  -9.860   3.072   2.455
   37    HA   HIS   7           HA       HIS   7  -9.819   5.941   2.051
   38   1HB   HIS   7          2HB       HIS   7 -10.620   5.628   4.638
   39   2HB   HIS   7          1HB       HIS   7 -11.705   5.631   3.256
   40    HD2  HIS   7           2HD      HIS   7  -9.668   2.765   5.092
   41    HE1  HIS   7           1HE      HIS   7 -13.583   1.441   4.175
   42    HE2  HIS   7           2HE      HIS   7 -11.415   0.857   5.348
   43    H    HIS   8           H        HIS   8  -9.425   5.607   5.255
   44    HA   HIS   8           HA       HIS   8  -7.781   5.936   6.769
   45   1HB   HIS   8          2HB       HIS   8  -5.908   4.901   4.635
   46   2HB   HIS   8          1HB       HIS   8  -5.500   5.139   6.329
   47    HD2  HIS   8           2HD      HIS   8  -5.626   2.218   4.585
   48    HE1  HIS   8           1HE      HIS   8  -8.473   1.372   7.593
   49    HE2  HIS   8           2HE      HIS   8  -6.801   0.375   5.966
   50    H    MET   9           H        MET   9  -5.344   6.560   4.415
   51    HA   MET   9           HA       MET   9  -5.476   9.409   5.109
   52   1HB   MET   9          2HB       MET   9  -3.212   7.758   3.972
   53   2HB   MET   9          1HB       MET   9  -3.132   9.489   4.271
   54   1HG   MET   9          2HG       MET   9  -3.326   9.181   6.612
   55   2HG   MET   9          1HG       MET   9  -3.720   7.474   6.415
   56   1HE   MET   9          1HE       MET   9  -1.258   9.095   8.180
   57   2HE   MET   9          2HE       MET   9   0.263   9.145   7.287
   58   3HE   MET   9          3HE       MET   9  -1.095  10.150   6.776
   59    H    GLU  10           H        GLU  10  -5.597  10.980   3.582
   60    HA   GLU  10           HA       GLU  10  -6.493  10.076   0.962
   61   1HB   GLU  10          2HB       GLU  10  -6.529  12.949   1.776
   62   2HB   GLU  10          1HB       GLU  10  -7.670  12.056   0.781
   63   1HG   GLU  10          2HG       GLU  10  -7.376  11.545   3.720
   64   2HG   GLU  10          1HG       GLU  10  -8.444  12.792   3.083
   65    H    PHE  11           H        PHE  11  -3.541  10.670   2.074
   66    HA   PHE  11           HA       PHE  11  -2.728  11.955  -0.433
   67   1HB   PHE  11          2HB       PHE  11  -0.636  12.608   1.104
   68   2HB   PHE  11          1HB       PHE  11  -2.016  13.662   0.883
   69    HD1  PHE  11           1HD      PHE  11  -0.010  11.848   3.218
   70    HD2  PHE  11           2HD      PHE  11  -3.833  13.642   2.665
   71    HE1  PHE  11           1HE      PHE  11  -0.319  11.929   5.650
   72    HE2  PHE  11           2HE      PHE  11  -4.148  13.717   5.101
   73    HZ   PHE  11           HZ       PHE  11  -2.394  12.859   6.596
   74    H    CYS  12           H        CYS  12  -1.042  10.534   2.184
   75    HA   CYS  12           HA       CYS  12  -0.545   7.996   1.600
   76   1HB   CYS  12          2HB       CYS  12   0.334   8.449  -0.611
   77   2HB   CYS  12          1HB       CYS  12   1.422   9.681   0.034
   78    HG   CYS  12           HG       CYS  12   2.925   7.483  -0.647
   79    H    ARG  13           H        ARG  13   0.765   7.172   3.181
   80    HA   ARG  13           HA       ARG  13   1.361   8.857   5.307
   81   1HB   ARG  13          2HB       ARG  13   1.049   6.233   5.118
   82   2HB   ARG  13          1HB       ARG  13   2.807   6.253   5.072
   83   1HG   ARG  13          2HG       ARG  13   2.021   7.944   7.186
   84   2HG   ARG  13          1HG       ARG  13   1.063   6.467   7.314
   85   1HD   ARG  13          2HD       ARG  13   4.036   6.392   6.893
   86   2HD   ARG  13          1HD       ARG  13   3.331   6.525   8.504
   87    HE   ARG  13           HE       ARG  13   2.456   4.317   6.799
   88   1HH1  ARG  13          2HH1      ARG  13   4.262   5.431   9.576
   89   2HH1  ARG  13          1HH1      ARG  13   4.505   3.836  10.223
   90   1HH2  ARG  13          2HH2      ARG  13   2.747   2.211   7.650
   91   2HH2  ARG  13          1HH2      ARG  13   3.677   2.002   9.110
   92    H    VAL  14           H        VAL  14   3.634   7.225   3.101
   93    HA   VAL  14           HA       VAL  14   5.888   8.534   4.294
   94    HB   VAL  14           HB       VAL  14   6.026   6.983   1.727
   95   1HG1  VAL  14          1HG1      VAL  14   8.232   6.624   2.260
   96   2HG1  VAL  14          2HG1      VAL  14   7.983   8.222   2.965
   97   3HG1  VAL  14          3HG1      VAL  14   7.954   6.789   3.994
   98   1HG2  VAL  14          1HG2      VAL  14   5.002   6.030   4.242
   99   2HG2  VAL  14          2HG2      VAL  14   5.150   5.186   2.701
  100   3HG2  VAL  14          3HG2      VAL  14   6.503   5.200   3.833
  101    H    CYS  15           H        CYS  15   4.217   8.826   1.176
  102    HA   CYS  15           HA       CYS  15   6.090  10.746   0.157
  103   1HB   CYS  15          2HB       CYS  15   3.308  10.066  -0.821
  104   2HB   CYS  15          1HB       CYS  15   4.504  11.004  -1.703
  105    H    LYS  16           H        LYS  16   3.207  10.830   2.023
  106    HA   LYS  16           HA       LYS  16   2.028  12.468   3.025
  107   1HB   LYS  16          2HB       LYS  16   4.517  13.836   2.388
  108   2HB   LYS  16          1HB       LYS  16   3.133  14.921   2.367
  109   1HG   LYS  16          2HG       LYS  16   3.325  15.058   4.569
  110   2HG   LYS  16          1HG       LYS  16   2.796  13.379   4.657
  111   1HD   LYS  16          2HD       LYS  16   5.030  12.585   4.686
  112   2HD   LYS  16          1HD       LYS  16   5.668  14.173   4.251
  113   1HE   LYS  16          2HE       LYS  16   5.464  14.984   6.367
  114   2HE   LYS  16          1HE       LYS  16   4.047  13.998   6.724
  115   1HZ   LYS  16          1HZ       LYS  16   5.338  12.182   7.264
  116   2HZ   LYS  16          2HZ       LYS  16   6.277  13.457   7.868
  117   3HZ   LYS  16          3HZ       LYS  16   6.687  12.729   6.394
  118    H    ASP  17           H        ASP  17   2.260  11.829  -0.066
  119    HA   ASP  17           HA       ASP  17  -0.226  12.885  -0.704
  120   1HB   ASP  17          2HB       ASP  17   1.559  14.886  -0.999
  121   2HB   ASP  17          1HB       ASP  17   1.688  14.143  -2.591
  122    H    GLY  18           H        GLY  18  -0.527  12.760  -3.259
  123   1HA   GLY  18          1HA       GLY  18   0.505  11.348  -5.138
  124   2HA   GLY  18          2HA       GLY  18   0.484  10.072  -3.923
  125    H    GLY  19           H        GLY  19  -0.829   9.595  -6.227
  126   1HA   GLY  19          1HA       GLY  19  -3.667   9.984  -5.493
  127   2HA   GLY  19          2HA       GLY  19  -3.088   9.960  -7.150
  128    H    GLU  20           H        GLU  20  -1.322   7.746  -6.897
  129    HA   GLU  20           HA       GLU  20  -3.188   5.598  -7.221
  130   1HB   GLU  20          2HB       GLU  20  -0.594   6.173  -8.065
  131   2HB   GLU  20          1HB       GLU  20  -0.400   4.807  -6.978
  132   1HG   GLU  20          2HG       GLU  20  -0.649   3.995  -9.211
  133   2HG   GLU  20          1HG       GLU  20  -2.075   3.559  -8.275
  134    H    LEU  21           H        LEU  21  -3.844   6.149  -4.824
  135    HA   LEU  21           HA       LEU  21  -2.028   5.331  -2.831
  136   1HB   LEU  21          2HB       LEU  21  -4.779   6.389  -2.892
  137   2HB   LEU  21          1HB       LEU  21  -4.299   5.524  -1.441
  138    HG   LEU  21           HG       LEU  21  -2.734   7.815  -2.615
  139   1HD1  LEU  21          1HD1      LEU  21  -3.734   8.743  -0.283
  140   2HD1  LEU  21          2HD1      LEU  21  -4.418   9.082  -1.874
  141   3HD1  LEU  21          3HD1      LEU  21  -5.092   7.787  -0.881
  142   1HD2  LEU  21          1HD2      LEU  21  -1.706   7.825  -0.354
  143   2HD2  LEU  21          2HD2      LEU  21  -2.571   6.329  -0.006
  144   3HD2  LEU  21          3HD2      LEU  21  -1.365   6.370  -1.293
  145    H    LEU  22           H        LEU  22  -1.657   3.589  -1.878
  146    HA   LEU  22           HA       LEU  22  -3.512   1.305  -2.104
  147   1HB   LEU  22          2HB       LEU  22  -1.303   1.309  -3.478
  148   2HB   LEU  22          1HB       LEU  22  -0.522   1.050  -1.932
  149    HG   LEU  22           HG       LEU  22  -2.128  -0.983  -1.724
  150   1HD1  LEU  22          1HD1      LEU  22  -2.936  -1.918  -3.729
  151   2HD1  LEU  22          2HD1      LEU  22  -3.420  -0.223  -3.775
  152   3HD1  LEU  22          3HD1      LEU  22  -2.035  -0.770  -4.719
  153   1HD2  LEU  22          1HD2      LEU  22   0.205  -0.874  -3.629
  154   2HD2  LEU  22          2HD2      LEU  22   0.253  -1.225  -1.900
  155   3HD2  LEU  22          3HD2      LEU  22  -0.509  -2.364  -3.014
  156    H    CYS  23           H        CYS  23  -4.401   1.423  -0.083
  157    HA   CYS  23           HA       CYS  23  -2.655   1.882   2.207
  158   1HB   CYS  23          2HB       CYS  23  -5.512   1.560   2.734
  159   2HB   CYS  23          1HB       CYS  23  -4.433   2.895   3.139
  160    HG   CYS  23           HG       CYS  23  -6.366   4.095   1.654
  161    H    CYS  24           H        CYS  24  -2.792   0.581   4.126
  162    HA   CYS  24           HA       CYS  24  -2.854  -2.223   3.596
  163   1HB   CYS  24          2HB       CYS  24  -1.316  -1.279   5.261
  164   2HB   CYS  24          1HB       CYS  24  -2.677  -0.727   6.226
  165    H    ASP  25           H        ASP  25  -4.322  -3.744   4.282
  166    HA   ASP  25           HA       ASP  25  -7.047  -2.817   4.624
  167   1HB   ASP  25          2HB       ASP  25  -6.307  -4.847   3.223
  168   2HB   ASP  25          1HB       ASP  25  -6.134  -5.691   4.761
  169    H    THR  26           H        THR  26  -4.484  -3.263   6.629
  170    HA   THR  26           HA       THR  26  -6.216  -3.959   8.912
  171    HB   THR  26           HB       THR  26  -3.365  -4.267   9.418
  172    HG1  THR  26           1HG      THR  26  -3.327  -4.871   7.209
  173   1HG2  THR  26          1HG2      THR  26  -5.762  -6.092   9.594
  174   2HG2  THR  26          2HG2      THR  26  -5.010  -5.186  10.908
  175   3HG2  THR  26          3HG2      THR  26  -4.145  -6.522  10.149
  176    H    CYS  27           H        CYS  27  -3.549  -1.920   7.786
  177    HA   CYS  27           HA       CYS  27  -3.733  -0.351  10.252
  178   1HB   CYS  27          2HB       CYS  27  -1.671  -0.179   8.056
  179   2HB   CYS  27          1HB       CYS  27  -1.587   0.573   9.646
  180    HA   PRO  28           HA       PRO  28  -5.777   2.948   8.079
  181   1HB   PRO  28          2HB       PRO  28  -5.494   4.875   9.939
  182   2HB   PRO  28          1HB       PRO  28  -6.608   3.519  10.147
  183   1HG   PRO  28          2HG       PRO  28  -3.893   3.939  11.317
  184   2HG   PRO  28          1HG       PRO  28  -5.346   3.257  12.068
  185   1HD   PRO  28          2HD       PRO  28  -3.267   1.758  11.075
  186   2HD   PRO  28          1HD       PRO  28  -4.931   1.170  11.250
  187    H    SER  29           H        SER  29  -3.327   2.490   7.016
  188    HA   SER  29           HA       SER  29  -2.284   5.204   6.658
  189   1HB   SER  29          2HB       SER  29  -0.649   2.734   7.258
  190   2HB   SER  29          1HB       SER  29   0.044   4.191   6.549
  191    HG   SER  29           HG       SER  29  -1.488   4.420   8.891
  192    H    SER  30           H        SER  30  -2.120   5.721   4.581
  193    HA   SER  30           HA       SER  30  -2.397   3.572   2.603
  194   1HB   SER  30          2HB       SER  30  -2.793   6.462   1.928
  195   2HB   SER  30          1HB       SER  30  -3.597   5.037   1.269
  196    HG   SER  30           HG       SER  30  -5.089   5.955   2.573
  197    H    TYR  31           H        TYR  31  -0.907   3.262   1.039
  198    HA   TYR  31           HA       TYR  31   1.360   5.151   0.919
  199   1HB   TYR  31          2HB       TYR  31   1.684   2.193   0.444
  200   2HB   TYR  31          1HB       TYR  31   2.918   3.387   0.824
  201    HD1  TYR  31           1HD      TYR  31   0.156   1.381   2.237
  202    HD2  TYR  31           2HD      TYR  31   3.503   3.867   3.079
  203    HE1  TYR  31           1HE      TYR  31   0.061   0.695   4.593
  204    HE2  TYR  31           2HE      TYR  31   3.415   3.191   5.444
  205    HH   TYR  31           HH       TYR  31   1.384   0.584   6.533
  206    H    HIS  32           H        HIS  32   2.672   3.599  -1.090
  207    HA   HIS  32           HA       HIS  32   0.804   3.585  -3.354
  208   1HB   HIS  32          2HB       HIS  32   3.541   4.873  -3.248
  209   2HB   HIS  32          1HB       HIS  32   2.847   4.321  -4.766
  210    HD2  HIS  32           2HD      HIS  32   0.612   5.741  -5.649
  211    HE1  HIS  32           1HE      HIS  32   1.158   8.927  -2.938
  212    HE2  HIS  32           2HE      HIS  32   0.142   8.235  -5.153
  213    H    ILE  33           H        ILE  33   3.677   2.961  -4.676
  214    HA   ILE  33           HA       ILE  33   3.879   0.245  -3.576
  215    HB   ILE  33           HB       ILE  33   4.439  -0.649  -5.805
  216   1HG1  ILE  33          2HG1      ILE  33   3.411   1.967  -6.913
  217   1HG2  ILE  33          1HG2      ILE  33   2.046  -0.296  -6.770
  218   2HG2  ILE  33          2HG2      ILE  33   2.270  -1.146  -5.241
  219   3HG2  ILE  33          3HG2      ILE  33   1.769   0.545  -5.245
  220   1HD1  ILE  33          1HD1      ILE  33   3.172  -0.078  -8.341
  221   2HD1  ILE  33          2HD1      ILE  33   4.154   1.213  -9.033
  222   3HD1  ILE  33          3HD1      ILE  33   4.931  -0.207  -8.329
  223    H    HIS  34           H        HIS  34   5.393   3.081  -3.740
  224    HA   HIS  34           HA       HIS  34   8.025   1.791  -3.731
  225   1HB   HIS  34          2HB       HIS  34   9.039   3.541  -5.047
  226   2HB   HIS  34          1HB       HIS  34   7.706   2.837  -5.946
  227    HD2  HIS  34           2HD      HIS  34   5.690   5.028  -3.959
  228    HE1  HIS  34           1HE      HIS  34   7.404   7.645  -6.807
  229    HE2  HIS  34           2HE      HIS  34   5.434   7.268  -5.255
  230    H    CYS  35           H        CYS  35   5.920   3.389  -1.913
  231    HA   CYS  35           HA       CYS  35   7.588   5.424  -0.739
  232   1HB   CYS  35          2HB       CYS  35   5.270   4.311   0.744
  233   2HB   CYS  35          1HB       CYS  35   5.672   5.992   0.384
  234    H    LEU  36           H        LEU  36   6.877   2.099  -0.306
  235    HA   LEU  36           HA       LEU  36   8.003   1.840   2.334
  236   1HB   LEU  36          2HB       LEU  36   7.794  -0.703   1.304
  237   2HB   LEU  36          1HB       LEU  36   6.571   0.125   2.246
  238    HG   LEU  36           HG       LEU  36   6.556   0.546  -0.704
  239   1HD1  LEU  36          1HD1      LEU  36   5.052  -1.796   0.258
  240   2HD1  LEU  36          2HD1      LEU  36   5.833  -1.500  -1.296
  241   3HD1  LEU  36          3HD1      LEU  36   6.797  -2.002   0.094
  242   1HD2  LEU  36          1HD2      LEU  36   4.862   1.117   1.479
  243   2HD2  LEU  36          2HD2      LEU  36   4.578   1.431  -0.235
  244   3HD2  LEU  36          3HD2      LEU  36   4.037  -0.087   0.484
  245    H    ASN  37           H        ASN  37   9.561  -0.336   2.336
  246    HA   ASN  37           HA       ASN  37  11.952   0.624   1.055
  247   1HB   ASN  37          2HB       ASN  37  12.171  -0.246   3.292
  248   2HB   ASN  37          1HB       ASN  37  11.464  -1.785   2.810
  249   1HD2  ASN  37          1HD2      ASN  37  14.166   0.369   2.021
  250   2HD2  ASN  37          2HD2      ASN  37  15.311  -0.899   1.725
  251    HA   PRO  38           HA       PRO  38  11.603  -3.271  -1.610
  252   1HB   PRO  38          2HB       PRO  38   9.690  -5.111  -1.209
  253   2HB   PRO  38          1HB       PRO  38  11.182  -5.100  -0.262
  254   1HG   PRO  38          2HG       PRO  38   8.443  -4.244   0.504
  255   2HG   PRO  38          1HG       PRO  38   9.720  -4.957   1.502
  256   1HD   PRO  38          2HD       PRO  38   9.046  -2.233   1.338
  257   2HD   PRO  38          1HD       PRO  38  10.498  -2.917   2.090
  258    HA   PRO  39           HA       PRO  39   8.412  -0.930  -3.796
  259   1HB   PRO  39          2HB       PRO  39   9.522  -1.184  -6.274
  260   2HB   PRO  39          1HB       PRO  39  10.034   0.023  -5.090
  261   1HG   PRO  39          2HG       PRO  39  11.284  -2.593  -5.799
  262   2HG   PRO  39          1HG       PRO  39  12.058  -1.044  -5.422
  263   1HD   PRO  39          2HD       PRO  39  11.875  -3.096  -3.643
  264   2HD   PRO  39          1HD       PRO  39  11.922  -1.391  -3.155
  265    H    LEU  40           H        LEU  40   6.535  -1.709  -4.435
  266    HA   LEU  40           HA       LEU  40   6.319  -4.474  -5.309
  267   1HB   LEU  40          2HB       LEU  40   4.012  -2.557  -5.190
  268   2HB   LEU  40          1HB       LEU  40   4.012  -4.295  -4.959
  269    HG   LEU  40           HG       LEU  40   5.382  -2.506  -2.987
  270   1HD1  LEU  40          1HD1      LEU  40   3.383  -2.261  -1.722
  271   2HD1  LEU  40          2HD1      LEU  40   3.034  -1.709  -3.361
  272   3HD1  LEU  40          3HD1      LEU  40   2.481  -3.297  -2.828
  273   1HD2  LEU  40          1HD2      LEU  40   4.078  -5.217  -2.793
  274   2HD2  LEU  40          2HD2      LEU  40   5.810  -4.887  -2.827
  275   3HD2  LEU  40          3HD2      LEU  40   4.836  -4.346  -1.460
  276    HA   PRO  41           HA       PRO  41   6.581  -3.104  -9.485
  277   1HB   PRO  41          2HB       PRO  41   6.171  -5.488 -10.707
  278   2HB   PRO  41          1HB       PRO  41   7.676  -5.090  -9.871
  279   1HG   PRO  41          2HG       PRO  41   5.359  -6.728  -8.924
  280   2HG   PRO  41          1HG       PRO  41   7.096  -7.028  -8.729
  281   1HD   PRO  41          2HD       PRO  41   5.527  -5.981  -6.763
  282   2HD   PRO  41          1HD       PRO  41   7.260  -5.624  -6.922
  283    H    GLU  42           H        GLU  42   3.811  -4.892  -8.312
  284    HA   GLU  42           HA       GLU  42   2.168  -3.588 -10.374
  285   1HB   GLU  42          2HB       GLU  42   1.508  -6.249  -9.123
  286   2HB   GLU  42          1HB       GLU  42   0.757  -5.498 -10.524
  287   1HG   GLU  42          2HG       GLU  42   3.573  -5.840 -10.963
  288   2HG   GLU  42          1HG       GLU  42   2.828  -7.369 -10.496
  289    H    ILE  43           H        ILE  43   0.058  -2.964  -9.721
  290    HA   ILE  43           HA       ILE  43  -0.132  -2.406  -6.859
  291    HB   ILE  43           HB       ILE  43  -2.177  -1.059  -7.561
  292   1HG1  ILE  43          2HG1      ILE  43  -1.250  -0.644 -10.263
  293   1HG2  ILE  43          1HG2      ILE  43   0.602  -0.486  -7.717
  294   2HG2  ILE  43          2HG2      ILE  43  -0.229   0.406  -8.992
  295   3HG2  ILE  43          3HG2      ILE  43  -0.730   0.596  -7.312
  296   1HD1  ILE  43          1HD1      ILE  43  -3.802  -1.140  -8.884
  297   2HD1  ILE  43          2HD1      ILE  43  -3.377   0.063 -10.101
  298   3HD1  ILE  43          3HD1      ILE  43  -3.722  -1.597 -10.586
  299    HA   PRO  44           HA       PRO  44  -2.692  -6.048  -6.475
  300   1HB   PRO  44          2HB       PRO  44  -3.158  -4.920  -3.773
  301   2HB   PRO  44          1HB       PRO  44  -2.558  -6.516  -4.239
  302   1HG   PRO  44          2HG       PRO  44  -0.918  -4.677  -3.215
  303   2HG   PRO  44          1HG       PRO  44  -0.383  -5.761  -4.512
  304   1HD   PRO  44          2HD       PRO  44  -1.217  -2.891  -4.664
  305   2HD   PRO  44          1HD       PRO  44   0.098  -3.731  -5.514
  306    H    ASN  45           H        ASN  45  -4.656  -6.080  -7.341
  307    HA   ASN  45           HA       ASN  45  -6.439  -3.860  -7.220
  308   1HB   ASN  45          2HB       ASN  45  -6.412  -5.253  -9.197
  309   2HB   ASN  45          1HB       ASN  45  -6.803  -6.681  -8.246
  310   1HD2  ASN  45          1HD2      ASN  45  -8.757  -7.313  -8.786
  311   2HD2  ASN  45          2HD2      ASN  45 -10.152  -6.288  -8.926
  312    H    GLY  46           H        GLY  46  -6.322  -7.038  -5.691
  313   1HA   GLY  46          1HA       GLY  46  -8.785  -6.593  -4.228
  314   2HA   GLY  46          2HA       GLY  46  -7.728  -7.992  -4.100
  315    H    GLU  47           H        GLU  47  -7.738  -8.002  -1.854
  316    HA   GLU  47           HA       GLU  47  -7.025  -5.642  -0.369
  317   1HB   GLU  47          2HB       GLU  47  -7.306  -6.989   1.588
  318   2HB   GLU  47          1HB       GLU  47  -8.595  -7.408   0.470
  319   1HG   GLU  47          2HG       GLU  47  -6.113  -9.035   0.424
  320   2HG   GLU  47          1HG       GLU  47  -7.219  -9.238   1.779
  321    H    TRP  48           H        TRP  48  -5.104  -5.146   0.586
  322    HA   TRP  48           HA       TRP  48  -2.868  -7.010   0.281
  323   1HB   TRP  48          2HB       TRP  48  -2.540  -5.763  -1.668
  324   2HB   TRP  48          1HB       TRP  48  -3.147  -4.283  -0.942
  325    HD1  TRP  48           HD       TRP  48   0.038  -6.341  -1.337
  326    HE1  TRP  48           1HE      TRP  48   2.041  -4.894  -0.616
  327    HE3  TRP  48           3HE      TRP  48  -2.503  -2.385   0.635
  328    HZ2  TRP  48           2HZ      TRP  48   2.479  -2.387   0.629
  329    HZ3  TRP  48           3HZ      TRP  48  -1.232  -0.513   1.574
  330    HH2  TRP  48           HH       TRP  48   1.204  -0.507   1.580
  331    H    LEU  49           H        LEU  49  -1.427  -6.914   1.945
  332    HA   LEU  49           HA       LEU  49  -2.120  -5.121   4.150
  333   1HB   LEU  49          2HB       LEU  49  -0.629  -7.716   3.958
  334   2HB   LEU  49          1HB       LEU  49  -0.417  -6.679   5.354
  335    HG   LEU  49           HG       LEU  49  -2.990  -6.765   5.550
  336   1HD1  LEU  49          1HD1      LEU  49  -2.705  -9.388   4.149
  337   2HD1  LEU  49          2HD1      LEU  49  -4.162  -8.464   4.518
  338   3HD1  LEU  49          3HD1      LEU  49  -3.079  -7.928   3.232
  339   1HD2  LEU  49          1HD2      LEU  49  -1.634  -7.761   7.210
  340   2HD2  LEU  49          2HD2      LEU  49  -2.823  -8.975   6.738
  341   3HD2  LEU  49          3HD2      LEU  49  -1.168  -9.082   6.137
  342    H    CYS  50           H        CYS  50  -0.749  -3.616   4.939
  343    HA   CYS  50           HA       CYS  50   1.118  -2.457   3.277
  344   1HB   CYS  50          2HB       CYS  50   1.568  -0.954   5.046
  345   2HB   CYS  50          1HB       CYS  50  -0.100  -1.463   5.283
  346    HA   PRO  51           HA       PRO  51   5.052  -4.436   3.835
  347   1HB   PRO  51          2HB       PRO  51   6.741  -2.343   4.285
  348   2HB   PRO  51          1HB       PRO  51   6.085  -2.740   2.693
  349   1HG   PRO  51          2HG       PRO  51   5.146  -0.694   4.673
  350   2HG   PRO  51          1HG       PRO  51   5.359  -0.535   2.918
  351   1HD   PRO  51          2HD       PRO  51   2.941  -0.930   4.003
  352   2HD   PRO  51          1HD       PRO  51   3.392  -1.670   2.452
  353    H    ARG  52           H        ARG  52   3.687  -2.539   6.335
  354    HA   ARG  52           HA       ARG  52   5.673  -3.303   8.320
  355   1HB   ARG  52          2HB       ARG  52   4.822  -1.200   8.830
  356   2HB   ARG  52          1HB       ARG  52   3.195  -1.621   8.321
  357   1HG   ARG  52          2HG       ARG  52   3.545  -3.281  10.451
  358   2HG   ARG  52          1HG       ARG  52   4.477  -1.863  10.938
  359   1HD   ARG  52          2HD       ARG  52   1.814  -1.348   9.763
  360   2HD   ARG  52          1HD       ARG  52   1.831  -2.118  11.349
  361    HE   ARG  52           HE       ARG  52   3.521  -0.072  11.724
  362   1HH1  ARG  52          2HH1      ARG  52   0.290  -0.212  10.331
  363   2HH1  ARG  52          1HH1      ARG  52  -0.097   1.422  10.793
  364   1HH2  ARG  52          2HH2      ARG  52   2.997   2.084  12.280
  365   2HH2  ARG  52          1HH2      ARG  52   1.437   2.723  11.864
  366    H    CYS  53           H        CYS  53   2.732  -4.398   6.953
  367    HA   CYS  53           HA       CYS  53   2.267  -6.340   9.071
  368   1HB   CYS  53          2HB       CYS  53   0.782  -5.510   6.604
  369   2HB   CYS  53          1HB       CYS  53   0.409  -7.042   7.392
  370    H    THR  54           H        THR  54   3.727  -6.096   5.926
  371    HA   THR  54           HA       THR  54   3.885  -8.950   5.508
  372    HB   THR  54           HB       THR  54   5.132  -8.513   3.550
  373    HG1  THR  54           1HG      THR  54   6.439  -6.823   3.295
  374   1HG2  THR  54          1HG2      THR  54   3.855  -6.811   2.376
  375   2HG2  THR  54          2HG2      THR  54   3.310  -6.140   3.915
  376   3HG2  THR  54          3HG2      THR  54   2.798  -7.756   3.425
  377    H    CYS  55           H        CYS  55   5.707  -6.465   7.034
  378    HA   CYS  55           HA       CYS  55   8.254  -7.468   7.255
  379   1HB   CYS  55          2HB       CYS  55   6.537  -5.629   8.722
  380   2HB   CYS  55          1HB       CYS  55   7.717  -6.420   9.763
  381    HG   CYS  55           HG       CYS  55   9.697  -5.640   7.562
  382    HA   PRO  56           HA       PRO  56   7.529 -11.398   9.251
  383   1HB   PRO  56          2HB       PRO  56  10.191 -11.875   9.806
  384   2HB   PRO  56          1HB       PRO  56   9.396 -12.252   8.275
  385   1HG   PRO  56          2HG       PRO  56  11.098  -9.911   9.002
  386   2HG   PRO  56          1HG       PRO  56  11.032 -10.828   7.485
  387   1HD   PRO  56          2HD       PRO  56   9.861  -8.420   7.744
  388   2HD   PRO  56          1HD       PRO  56   9.155  -9.702   6.741
  389    H    ALA  57           H        ALA  57   6.876 -11.685  11.250
  390    HA   ALA  57           HA       ALA  57   6.607 -11.510  13.493
  391   1HB   ALA  57          1HB       ALA  57   8.495 -12.423  14.265
  392   2HB   ALA  57          2HB       ALA  57   9.500 -11.531  13.123
  393   3HB   ALA  57          3HB       ALA  57   8.985 -10.767  14.627
  394    H    LEU  58           H        LEU  58   6.186  -9.225  11.797
  395    HA   LEU  58           HA       LEU  58   5.413  -7.110  12.017
  396   1HB   LEU  58          2HB       LEU  58   5.601  -7.944  14.729
  397   2HB   LEU  58          1HB       LEU  58   6.192  -6.298  14.618
  398    HG   LEU  58           HG       LEU  58   3.842  -6.262  15.139
  399   1HD1  LEU  58          1HD1      LEU  58   2.986  -5.134  12.967
  400   2HD1  LEU  58          2HD1      LEU  58   4.333  -4.410  13.848
  401   3HD1  LEU  58          3HD1      LEU  58   4.641  -5.370  12.401
  402   1HD2  LEU  58          1HD2      LEU  58   3.584  -8.046  12.736
  403   2HD2  LEU  58          2HD2      LEU  58   3.066  -8.357  14.392
  404   3HD2  LEU  58          3HD2      LEU  58   2.219  -7.159  13.414
  405    H    LYS  59           H        LYS  59   8.510  -7.628  13.641
  406    HA   LYS  59           HA       LYS  59  10.557  -6.712  13.358
  407   1HB   LYS  59          2HB       LYS  59   9.833  -6.852  10.887
  408   2HB   LYS  59          1HB       LYS  59   9.560  -5.120  11.013
  409   1HG   LYS  59          2HG       LYS  59  12.147  -5.815  12.063
  410   2HG   LYS  59          1HG       LYS  59  11.952  -6.418  10.416
  411   1HD   LYS  59          2HD       LYS  59  12.362  -4.366   9.658
  412   2HD   LYS  59          1HD       LYS  59  10.888  -3.807  10.449
  413   1HE   LYS  59          2HE       LYS  59  12.028  -2.746  12.053
  414   2HE   LYS  59          1HE       LYS  59  13.107  -4.117  12.303
  415   1HZ   LYS  59          1HZ       LYS  59  13.759  -2.944   9.850
  416   2HZ   LYS  59          2HZ       LYS  59  14.693  -2.997  11.265
  417   3HZ   LYS  59          3HZ       LYS  59  13.639  -1.695  10.993
  418    H    GLY  60           H        GLY  60   8.373  -4.078  12.319
  419   1HA   GLY  60          1HA       GLY  60   9.813  -2.290  14.147
  420   2HA   GLY  60          2HA       GLY  60   8.793  -1.792  12.805
  421    H    LYS  61           H        LYS  61   8.390  -3.783  15.730
  422    HA   LYS  61           HA       LYS  61   6.214  -2.008  16.559
  423   1HB   LYS  61          2HB       LYS  61   5.667  -4.459  15.447
  424   2HB   LYS  61          1HB       LYS  61   5.745  -4.848  17.159
  425   1HG   LYS  61          2HG       LYS  61   4.208  -2.464  16.794
  426   2HG   LYS  61          1HG       LYS  61   3.599  -3.738  15.737
  427   1HD   LYS  61          2HD       LYS  61   4.052  -3.982  18.709
  428   2HD   LYS  61          1HD       LYS  61   2.488  -3.769  17.921
  429   1HE   LYS  61          2HE       LYS  61   2.362  -5.930  17.321
  430   2HE   LYS  61          1HE       LYS  61   4.065  -6.005  16.876
  431   1HZ   LYS  61          1HZ       LYS  61   2.894  -6.277  19.588
  432   2HZ   LYS  61          2HZ       LYS  61   4.557  -6.088  19.312
  433   3HZ   LYS  61          3HZ       LYS  61   3.747  -7.451  18.706
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -10.382  17.296   0.790
    2   2H    GLY   1          2H        GLY   1 -11.286  17.023  -0.622
    3   3H    GLY   1          3H        GLY   1  -9.937  16.057  -0.282
    4   1HA   GLY   1          2HA       GLY   1 -12.162  16.153   1.635
    5   2HA   GLY   1          1HA       GLY   1 -12.311  15.165   0.188
    6    HA   PRO   2           HA       PRO   2  -9.745  13.016   3.534
    7   1HB   PRO   2          2HB       PRO   2 -11.589  11.488   4.769
    8   2HB   PRO   2          1HB       PRO   2 -11.265  13.154   5.259
    9   1HG   PRO   2          2HG       PRO   2 -13.507  12.060   3.623
   10   2HG   PRO   2          1HG       PRO   2 -13.534  13.338   4.851
   11   1HD   PRO   2          2HD       PRO   2 -13.498  13.778   2.127
   12   2HD   PRO   2          1HD       PRO   2 -12.957  14.948   3.346
   13    H    LEU   3           H        LEU   3  -8.985  12.070   1.524
   14    HA   LEU   3           HA       LEU   3 -10.334   9.986   0.192
   15   1HB   LEU   3          2HB       LEU   3  -7.424  10.762   0.295
   16   2HB   LEU   3          1HB       LEU   3  -8.020   9.447  -0.702
   17    HG   LEU   3           HG       LEU   3  -9.123  12.232  -0.950
   18   1HD1  LEU   3          1HD1      LEU   3  -7.566  12.642  -2.748
   19   2HD1  LEU   3          2HD1      LEU   3  -6.677  12.302  -1.263
   20   3HD1  LEU   3          3HD1      LEU   3  -6.823  11.060  -2.507
   21   1HD2  LEU   3          1HD2      LEU   3  -8.935  10.475  -3.277
   22   2HD2  LEU   3          2HD2      LEU   3  -9.954   9.840  -1.986
   23   3HD2  LEU   3          3HD2      LEU   3 -10.294  11.426  -2.679
   24    H    GLY   4           H        GLY   4  -9.588   7.723   0.045
   25   1HA   GLY   4          1HA       GLY   4  -8.646   5.786   1.069
   26   2HA   GLY   4          2HA       GLY   4  -8.483   6.694   2.569
   27    H    SER   5           H        SER   5 -11.177   7.814   2.324
   28    HA   SER   5           HA       SER   5 -13.277   7.421   3.071
   29   1HB   SER   5          2HB       SER   5 -13.067   4.743   1.686
   30   2HB   SER   5          1HB       SER   5 -14.518   5.706   1.966
   31    HG   SER   5           HG       SER   5 -14.101   6.353  -0.006
   32    H    ASP   6           H        ASP   6 -11.043   6.581   4.747
   33    HA   ASP   6           HA       ASP   6 -12.499   5.206   6.763
   34   1HB   ASP   6          2HB       ASP   6 -11.452   3.452   4.961
   35   2HB   ASP   6          1HB       ASP   6 -10.104   3.601   6.082
   36    H    HIS   7           H        HIS   7 -10.010   4.096   7.932
   37    HA   HIS   7           HA       HIS   7  -8.999   6.532   9.097
   38   1HB   HIS   7          2HB       HIS   7  -7.652   5.048  10.527
   39   2HB   HIS   7          1HB       HIS   7  -9.347   4.586  10.527
   40    HD2  HIS   7           2HD      HIS   7  -8.542   2.941   7.458
   41    HE1  HIS   7           1HE      HIS   7  -6.880   0.351  10.359
   42    HE2  HIS   7           2HE      HIS   7  -7.817   0.508   8.015
   43    H    HIS   8           H        HIS   8  -8.400   5.195   6.263
   44    HA   HIS   8           HA       HIS   8  -5.523   5.404   6.212
   45   1HB   HIS   8          2HB       HIS   8  -7.576   5.041   4.025
   46   2HB   HIS   8          1HB       HIS   8  -5.839   5.122   3.737
   47    HD2  HIS   8           2HD      HIS   8  -4.362   2.985   5.030
   48    HE1  HIS   8           1HE      HIS   8  -7.778   0.499   5.199
   49    HE2  HIS   8           2HE      HIS   8  -5.303   0.660   5.698
   50    H    MET   9           H        MET   9  -4.396   6.984   5.033
   51    HA   MET   9           HA       MET   9  -5.481   9.593   5.500
   52   1HB   MET   9          2HB       MET   9  -2.891   8.439   5.329
   53   2HB   MET   9          1HB       MET   9  -2.972   9.745   4.158
   54   1HG   MET   9          2HG       MET   9  -3.521   9.935   7.105
   55   2HG   MET   9          1HG       MET   9  -2.134  10.587   6.236
   56   1HE   MET   9          1HE       MET   9  -6.123  11.071   6.811
   57   2HE   MET   9          2HE       MET   9  -4.938  11.433   8.068
   58   3HE   MET   9          3HE       MET   9  -5.824  12.743   7.289
   59    H    GLU  10           H        GLU  10  -5.074  11.373   3.900
   60    HA   GLU  10           HA       GLU  10  -6.378  10.689   1.411
   61   1HB   GLU  10          2HB       GLU  10  -5.309  13.410   2.109
   62   2HB   GLU  10          1HB       GLU  10  -6.671  12.998   1.077
   63   1HG   GLU  10          2HG       GLU  10  -8.106  12.921   2.790
   64   2HG   GLU  10          1HG       GLU  10  -6.952  12.116   3.851
   65    H    PHE  11           H        PHE  11  -3.215  11.036   2.539
   66    HA   PHE  11           HA       PHE  11  -2.213  10.777  -0.192
   67   1HB   PHE  11          2HB       PHE  11  -0.276  12.156   0.277
   68   2HB   PHE  11          1HB       PHE  11  -1.720  13.102   0.621
   69    HD1  PHE  11           1HD      PHE  11  -2.371  13.559   2.966
   70    HD2  PHE  11           2HD      PHE  11   1.285  11.613   1.983
   71    HE1  PHE  11           1HE      PHE  11  -1.504  14.051   5.215
   72    HE2  PHE  11           2HE      PHE  11   2.148  12.090   4.235
   73    HZ   PHE  11           HZ       PHE  11   0.755  13.311   5.853
   74    H    CYS  12           H        CYS  12  -0.236   9.440  -0.253
   75    HA   CYS  12           HA       CYS  12  -0.460   7.289   1.484
   76   1HB   CYS  12          2HB       CYS  12   1.652   6.505   0.462
   77   2HB   CYS  12          1HB       CYS  12   0.444   6.969  -0.714
   78    HG   CYS  12           HG       CYS  12   2.356   8.076  -2.043
   79    H    ARG  13           H        ARG  13   2.580   9.075   1.177
   80    HA   ARG  13           HA       ARG  13   2.678  10.142   3.709
   81   1HB   ARG  13          2HB       ARG  13   2.812   7.439   3.984
   82   2HB   ARG  13          1HB       ARG  13   4.515   7.838   3.890
   83   1HG   ARG  13          2HG       ARG  13   3.907   9.638   5.666
   84   2HG   ARG  13          1HG       ARG  13   2.494   8.611   5.923
   85   1HD   ARG  13          2HD       ARG  13   5.278   7.498   5.909
   86   2HD   ARG  13          1HD       ARG  13   4.561   8.184   7.372
   87    HE   ARG  13           HE       ARG  13   3.924   5.660   6.133
   88   1HH1  ARG  13          2HH1      ARG  13   2.729   8.202   8.236
   89   2HH1  ARG  13          1HH1      ARG  13   1.610   7.160   9.063
   90   1HH2  ARG  13          2HH2      ARG  13   2.465   4.298   7.215
   91   2HH2  ARG  13          1HH2      ARG  13   1.421   4.947   8.449
   92    H    VAL  14           H        VAL  14   4.749   8.348   1.442
   93    HA   VAL  14           HA       VAL  14   6.910  10.188   1.892
   94    HB   VAL  14           HB       VAL  14   6.648   7.750   0.153
   95   1HG1  VAL  14          1HG1      VAL  14   9.348   8.428   0.297
   96   2HG1  VAL  14          2HG1      VAL  14   8.312   8.492  -1.129
   97   3HG1  VAL  14          3HG1      VAL  14   8.521   9.927  -0.124
   98   1HG2  VAL  14          1HG2      VAL  14   8.649   8.170   2.322
   99   2HG2  VAL  14          2HG2      VAL  14   6.978   7.803   2.750
  100   3HG2  VAL  14          3HG2      VAL  14   7.902   6.677   1.755
  101    H    CYS  15           H        CYS  15   4.853   9.364  -0.901
  102    HA   CYS  15           HA       CYS  15   6.033  11.378  -2.550
  103   1HB   CYS  15          2HB       CYS  15   3.347  10.180  -3.129
  104   2HB   CYS  15          1HB       CYS  15   4.624  10.635  -4.251
  105    H    LYS  16           H        LYS  16   3.648  11.388  -0.147
  106    HA   LYS  16           HA       LYS  16   2.171  12.921   0.640
  107   1HB   LYS  16          2HB       LYS  16   4.159  14.569  -0.810
  108   2HB   LYS  16          1HB       LYS  16   2.619  15.345  -0.470
  109   1HG   LYS  16          2HG       LYS  16   4.154  13.943   1.685
  110   2HG   LYS  16          1HG       LYS  16   4.517  15.609   1.226
  111   1HD   LYS  16          2HD       LYS  16   1.770  15.597   1.478
  112   2HD   LYS  16          1HD       LYS  16   2.304  14.543   2.788
  113   1HE   LYS  16          2HE       LYS  16   2.532  16.483   3.906
  114   2HE   LYS  16          1HE       LYS  16   4.071  16.556   3.048
  115   1HZ   LYS  16          1HZ       LYS  16   2.929  17.860   1.304
  116   2HZ   LYS  16          2HZ       LYS  16   2.953  18.634   2.814
  117   3HZ   LYS  16          3HZ       LYS  16   1.532  17.890   2.271
  118    H    ASP  17           H        ASP  17   1.735  11.439  -1.882
  119    HA   ASP  17           HA       ASP  17  -0.439  13.096  -2.963
  120   1HB   ASP  17          2HB       ASP  17   1.053  12.986  -4.766
  121   2HB   ASP  17          1HB       ASP  17   1.556  11.347  -4.372
  122    H    GLY  18           H        GLY  18  -2.371  12.000  -3.469
  123   1HA   GLY  18          1HA       GLY  18  -2.551   9.303  -2.271
  124   2HA   GLY  18          2HA       GLY  18  -3.766  10.548  -1.999
  125    H    GLY  19           H        GLY  19  -2.153   9.724  -5.042
  126   1HA   GLY  19          1HA       GLY  19  -4.665   9.586  -6.407
  127   2HA   GLY  19          2HA       GLY  19  -3.089   9.215  -7.090
  128    H    GLU  20           H        GLU  20  -2.240   7.106  -6.853
  129    HA   GLU  20           HA       GLU  20  -4.290   5.052  -6.655
  130   1HB   GLU  20          2HB       GLU  20  -1.844   5.365  -8.082
  131   2HB   GLU  20          1HB       GLU  20  -1.684   3.953  -7.048
  132   1HG   GLU  20          2HG       GLU  20  -2.743   3.898  -9.513
  133   2HG   GLU  20          1HG       GLU  20  -3.154   2.748  -8.241
  134    H    LEU  21           H        LEU  21  -4.556   5.556  -4.333
  135    HA   LEU  21           HA       LEU  21  -2.392   5.042  -2.565
  136   1HB   LEU  21          2HB       LEU  21  -5.219   5.864  -2.297
  137   2HB   LEU  21          1HB       LEU  21  -4.489   5.098  -0.897
  138    HG   LEU  21           HG       LEU  21  -3.427   7.558  -2.293
  139   1HD1  LEU  21          1HD1      LEU  21  -4.107   8.710  -0.231
  140   2HD1  LEU  21          2HD1      LEU  21  -5.478   8.044  -1.120
  141   3HD1  LEU  21          3HD1      LEU  21  -4.880   7.223   0.323
  142   1HD2  LEU  21          1HD2      LEU  21  -2.318   7.346   0.235
  143   2HD2  LEU  21          2HD2      LEU  21  -2.260   5.702  -0.401
  144   3HD2  LEU  21          3HD2      LEU  21  -1.511   7.023  -1.299
  145    H    LEU  22           H        LEU  22  -1.670   3.219  -1.952
  146    HA   LEU  22           HA       LEU  22  -3.260   0.779  -1.967
  147   1HB   LEU  22          2HB       LEU  22  -0.495   1.410  -2.025
  148   2HB   LEU  22          1HB       LEU  22  -0.781   0.533  -0.534
  149    HG   LEU  22           HG       LEU  22  -1.686  -1.351  -1.756
  150   1HD1  LEU  22          1HD1      LEU  22  -1.529   0.542  -4.046
  151   2HD1  LEU  22          2HD1      LEU  22  -1.348  -1.187  -4.338
  152   3HD1  LEU  22          3HD1      LEU  22  -2.819  -0.570  -3.585
  153   1HD2  LEU  22          1HD2      LEU  22   0.667  -0.917  -3.433
  154   2HD2  LEU  22          2HD2      LEU  22   0.938  -0.592  -1.720
  155   3HD2  LEU  22          3HD2      LEU  22   0.338  -2.169  -2.234
  156    H    CYS  23           H        CYS  23  -4.204  -0.113  -0.184
  157    HA   CYS  23           HA       CYS  23  -3.808   1.274   2.386
  158   1HB   CYS  23          2HB       CYS  23  -6.520   0.419   2.159
  159   2HB   CYS  23          1HB       CYS  23  -5.898   2.058   2.323
  160    HG   CYS  23           HG       CYS  23  -5.433   2.150  -0.573
  161    H    CYS  24           H        CYS  24  -3.417  -0.054   4.046
  162    HA   CYS  24           HA       CYS  24  -3.375  -2.871   3.734
  163   1HB   CYS  24          2HB       CYS  24  -1.860  -1.629   5.259
  164   2HB   CYS  24          1HB       CYS  24  -3.229  -1.269   6.298
  165    H    ASP  25           H        ASP  25  -4.587  -4.431   4.752
  166    HA   ASP  25           HA       ASP  25  -7.379  -3.756   5.139
  167   1HB   ASP  25          2HB       ASP  25  -6.588  -5.785   3.852
  168   2HB   ASP  25          1HB       ASP  25  -6.077  -6.474   5.388
  169    H    THR  26           H        THR  26  -4.697  -3.697   7.038
  170    HA   THR  26           HA       THR  26  -6.312  -4.243   9.438
  171    HB   THR  26           HB       THR  26  -3.569  -4.385  10.145
  172    HG1  THR  26           1HG      THR  26  -3.477  -4.981   7.776
  173   1HG2  THR  26          1HG2      THR  26  -4.189  -6.411  11.126
  174   2HG2  THR  26          2HG2      THR  26  -5.414  -6.737   9.899
  175   3HG2  THR  26          3HG2      THR  26  -5.690  -5.485  11.111
  176    H    CYS  27           H        CYS  27  -3.428  -2.454   8.316
  177    HA   CYS  27           HA       CYS  27  -3.820  -0.553  10.487
  178   1HB   CYS  27          2HB       CYS  27  -1.582  -0.299   8.537
  179   2HB   CYS  27          1HB       CYS  27  -1.602  -0.006  10.274
  180    HA   PRO  28           HA       PRO  28  -5.190   2.763   7.849
  181   1HB   PRO  28          2HB       PRO  28  -4.352   4.907   9.197
  182   2HB   PRO  28          1HB       PRO  28  -5.569   3.823   9.882
  183   1HG   PRO  28          2HG       PRO  28  -2.643   3.997  10.468
  184   2HG   PRO  28          1HG       PRO  28  -4.001   3.781  11.587
  185   1HD   PRO  28          2HD       PRO  28  -2.409   1.729  10.644
  186   2HD   PRO  28          1HD       PRO  28  -4.059   1.522  11.261
  187    H    SER  29           H        SER  29  -2.334   1.579   7.507
  188    HA   SER  29           HA       SER  29  -0.760   3.815   6.668
  189   1HB   SER  29          2HB       SER  29   0.003   1.195   5.596
  190   2HB   SER  29          1HB       SER  29   0.934   2.328   6.575
  191    HG   SER  29           HG       SER  29  -0.024   0.073   7.366
  192    H    SER  30           H        SER  30  -0.741   4.783   4.791
  193    HA   SER  30           HA       SER  30  -2.076   3.470   2.513
  194   1HB   SER  30          2HB       SER  30  -2.059   6.427   2.575
  195   2HB   SER  30          1HB       SER  30  -3.356   5.318   2.118
  196    HG   SER  30           HG       SER  30  -2.786   5.157   4.764
  197    H    TYR  31           H        TYR  31  -0.752   3.222   0.810
  198    HA   TYR  31           HA       TYR  31   1.551   5.033   0.547
  199   1HB   TYR  31          2HB       TYR  31   1.685   2.018   0.763
  200   2HB   TYR  31          1HB       TYR  31   3.011   3.009   0.171
  201    HD1  TYR  31           1HD      TYR  31   1.538   1.535   3.019
  202    HD2  TYR  31           2HD      TYR  31   3.841   4.898   1.784
  203    HE1  TYR  31           1HE      TYR  31   2.321   1.845   5.325
  204    HE2  TYR  31           2HE      TYR  31   4.627   5.208   4.091
  205    HH   TYR  31           HH       TYR  31   4.822   3.303   6.251
  206    H    HIS  32           H        HIS  32   2.869   3.573  -1.398
  207    HA   HIS  32           HA       HIS  32   0.958   3.126  -3.584
  208   1HB   HIS  32          2HB       HIS  32   3.521   4.732  -3.643
  209   2HB   HIS  32          1HB       HIS  32   2.942   3.922  -5.093
  210    HD2  HIS  32           2HD      HIS  32   0.367   4.846  -5.965
  211    HE1  HIS  32           1HE      HIS  32   0.760   8.514  -3.916
  212    HE2  HIS  32           2HE      HIS  32  -0.341   7.340  -5.880
  213    H    ILE  33           H        ILE  33   4.027   2.797  -4.719
  214    HA   ILE  33           HA       ILE  33   4.388   0.134  -3.549
  215    HB   ILE  33           HB       ILE  33   5.289  -0.649  -5.747
  216   1HG1  ILE  33          2HG1      ILE  33   3.916   1.837  -6.807
  217   1HG2  ILE  33          1HG2      ILE  33   2.923  -0.750  -6.789
  218   2HG2  ILE  33          2HG2      ILE  33   3.207  -1.494  -5.216
  219   3HG2  ILE  33          3HG2      ILE  33   2.430   0.088  -5.318
  220   1HD1  ILE  33          1HD1      ILE  33   5.037   1.157  -8.949
  221   2HD1  ILE  33          2HD1      ILE  33   5.313  -0.420  -8.207
  222   3HD1  ILE  33          3HD1      ILE  33   3.666   0.165  -8.451
  223    H    HIS  34           H        HIS  34   5.582   2.931  -3.199
  224    HA   HIS  34           HA       HIS  34   8.303   1.994  -2.961
  225   1HB   HIS  34          2HB       HIS  34   9.059   4.240  -4.146
  226   2HB   HIS  34          1HB       HIS  34   8.791   2.763  -5.063
  227    HD2  HIS  34           2HD      HIS  34   6.158   5.529  -4.010
  228    HE1  HIS  34           1HE      HIS  34   6.040   4.880  -8.187
  229    HE2  HIS  34           2HE      HIS  34   5.166   6.305  -6.282
  230    H    CYS  35           H        CYS  35   5.832   3.477  -1.596
  231    HA   CYS  35           HA       CYS  35   7.232   5.712  -0.377
  232   1HB   CYS  35          2HB       CYS  35   4.595   4.836   0.658
  233   2HB   CYS  35          1HB       CYS  35   5.125   6.444   0.151
  234    H    LEU  36           H        LEU  36   6.641   2.413   0.126
  235    HA   LEU  36           HA       LEU  36   7.121   2.461   2.997
  236   1HB   LEU  36          2HB       LEU  36   7.276  -0.149   1.714
  237   2HB   LEU  36          1HB       LEU  36   6.257   0.388   3.033
  238    HG   LEU  36           HG       LEU  36   5.090   1.566   0.816
  239   1HD1  LEU  36          1HD1      LEU  36   5.671   0.430  -1.003
  240   2HD1  LEU  36          2HD1      LEU  36   6.633  -0.704  -0.053
  241   3HD1  LEU  36          3HD1      LEU  36   4.908  -0.991  -0.286
  242   1HD2  LEU  36          1HD2      LEU  36   3.333   0.618   1.780
  243   2HD2  LEU  36          2HD2      LEU  36   3.928  -0.997   1.392
  244   3HD2  LEU  36          3HD2      LEU  36   4.442  -0.203   2.879
  245    H    ASN  37           H        ASN  37   8.728   0.195   3.270
  246    HA   ASN  37           HA       ASN  37  11.288   1.281   2.522
  247   1HB   ASN  37          2HB       ASN  37  10.725   0.071   4.731
  248   2HB   ASN  37          1HB       ASN  37  10.914  -1.413   3.802
  249   1HD2  ASN  37          1HD2      ASN  37  12.956  -1.919   2.935
  250   2HD2  ASN  37          2HD2      ASN  37  14.406  -1.191   3.543
  251    HA   PRO  38           HA       PRO  38  11.565  -2.430  -0.375
  252   1HB   PRO  38          2HB       PRO  38   9.839  -4.472  -0.316
  253   2HB   PRO  38          1HB       PRO  38  11.135  -4.334   0.877
  254   1HG   PRO  38          2HG       PRO  38   8.231  -3.775   1.163
  255   2HG   PRO  38          1HG       PRO  38   9.375  -4.408   2.356
  256   1HD   PRO  38          2HD       PRO  38   8.478  -1.749   2.120
  257   2HD   PRO  38          1HD       PRO  38   9.825  -2.325   3.118
  258    HA   PRO  39           HA       PRO  39   8.511  -0.536  -3.097
  259   1HB   PRO  39          2HB       PRO  39  10.027  -0.573  -5.330
  260   2HB   PRO  39          1HB       PRO  39  10.263   0.613  -4.042
  261   1HG   PRO  39          2HG       PRO  39  11.806  -1.878  -4.629
  262   2HG   PRO  39          1HG       PRO  39  12.394  -0.289  -4.110
  263   1HD   PRO  39          2HD       PRO  39  12.074  -2.424  -2.425
  264   2HD   PRO  39          1HD       PRO  39  12.003  -0.731  -1.901
  265    H    LEU  40           H        LEU  40   6.952  -1.442  -4.313
  266    HA   LEU  40           HA       LEU  40   7.316  -4.240  -5.139
  267   1HB   LEU  40          2HB       LEU  40   4.744  -2.666  -4.957
  268   2HB   LEU  40          1HB       LEU  40   4.906  -4.395  -5.200
  269    HG   LEU  40           HG       LEU  40   5.764  -2.954  -2.689
  270   1HD1  LEU  40          1HD1      LEU  40   3.684  -4.382  -1.880
  271   2HD1  LEU  40          2HD1      LEU  40   3.508  -2.736  -2.487
  272   3HD1  LEU  40          3HD1      LEU  40   3.168  -4.105  -3.544
  273   1HD2  LEU  40          1HD2      LEU  40   6.202  -5.035  -1.772
  274   2HD2  LEU  40          2HD2      LEU  40   5.224  -5.884  -2.969
  275   3HD2  LEU  40          3HD2      LEU  40   6.793  -5.218  -3.424
  276    HA   PRO  41           HA       PRO  41   7.410  -2.941  -9.341
  277   1HB   PRO  41          2HB       PRO  41   6.796  -5.247 -10.603
  278   2HB   PRO  41          1HB       PRO  41   8.325  -5.013  -9.749
  279   1HG   PRO  41          2HG       PRO  41   5.855  -6.442  -8.854
  280   2HG   PRO  41          1HG       PRO  41   7.554  -6.911  -8.659
  281   1HD   PRO  41          2HD       PRO  41   6.070  -5.748  -6.680
  282   2HD   PRO  41          1HD       PRO  41   7.832  -5.588  -6.804
  283    H    GLU  42           H        GLU  42   4.503  -4.510  -8.169
  284    HA   GLU  42           HA       GLU  42   2.947  -3.031 -10.181
  285   1HB   GLU  42          2HB       GLU  42   1.261  -4.870 -10.028
  286   2HB   GLU  42          1HB       GLU  42   2.787  -5.354 -10.754
  287   1HG   GLU  42          2HG       GLU  42   3.398  -6.139  -8.364
  288   2HG   GLU  42          1HG       GLU  42   1.658  -6.063  -8.082
  289    H    ILE  43           H        ILE  43   0.717  -2.527  -9.467
  290    HA   ILE  43           HA       ILE  43   0.731  -1.818  -6.617
  291    HB   ILE  43           HB       ILE  43  -1.307  -0.399  -7.332
  292   1HG1  ILE  43          2HG1      ILE  43  -0.231   0.009  -9.988
  293   1HG2  ILE  43          1HG2      ILE  43   1.552   0.079  -7.597
  294   2HG2  ILE  43          2HG2      ILE  43   0.567   1.172  -8.569
  295   3HG2  ILE  43          3HG2      ILE  43   0.301   1.057  -6.829
  296   1HD1  ILE  43          1HD1      ILE  43  -2.477  -0.028 -10.688
  297   2HD1  ILE  43          2HD1      ILE  43  -2.987  -0.926  -9.257
  298   3HD1  ILE  43          3HD1      ILE  43  -2.468   0.753  -9.107
  299    HA   PRO  44           HA       PRO  44  -2.373  -5.111  -6.268
  300   1HB   PRO  44          2HB       PRO  44  -1.944  -4.841  -3.405
  301   2HB   PRO  44          1HB       PRO  44  -1.580  -6.217  -4.449
  302   1HG   PRO  44          2HG       PRO  44   0.345  -4.687  -3.282
  303   2HG   PRO  44          1HG       PRO  44   0.575  -5.525  -4.826
  304   1HD   PRO  44          2HD       PRO  44  -0.064  -2.644  -4.311
  305   2HD   PRO  44          1HD       PRO  44   1.057  -3.359  -5.491
  306    H    ASN  45           H        ASN  45  -3.654  -3.114  -6.958
  307    HA   ASN  45           HA       ASN  45  -4.718  -1.370  -5.009
  308   1HB   ASN  45          2HB       ASN  45  -4.759  -1.581  -7.820
  309   2HB   ASN  45          1HB       ASN  45  -6.445  -1.591  -7.305
  310   1HD2  ASN  45          1HD2      ASN  45  -5.257   0.472  -8.793
  311   2HD2  ASN  45          2HD2      ASN  45  -5.254   1.909  -7.812
  312    H    GLY  46           H        GLY  46  -6.295  -1.640  -3.617
  313   1HA   GLY  46          1HA       GLY  46  -8.653  -2.425  -3.336
  314   2HA   GLY  46          2HA       GLY  46  -8.085  -3.957  -3.983
  315    H    GLU  47           H        GLU  47  -7.899  -5.428  -2.456
  316    HA   GLU  47           HA       GLU  47  -7.382  -4.645   0.294
  317   1HB   GLU  47          2HB       GLU  47  -9.048  -6.282   0.148
  318   2HB   GLU  47          1HB       GLU  47  -8.171  -7.209  -1.058
  319   1HG   GLU  47          2HG       GLU  47  -6.572  -7.138   1.264
  320   2HG   GLU  47          1HG       GLU  47  -8.219  -7.510   1.769
  321    H    TRP  48           H        TRP  48  -5.335  -4.169   0.712
  322    HA   TRP  48           HA       TRP  48  -3.318  -6.207   0.152
  323   1HB   TRP  48          2HB       TRP  48  -2.786  -4.741  -1.600
  324   2HB   TRP  48          1HB       TRP  48  -3.254  -3.317  -0.684
  325    HD1  TRP  48           HD       TRP  48  -0.291  -5.665  -1.263
  326    HE1  TRP  48           1HE      TRP  48   1.817  -4.583  -0.248
  327    HE3  TRP  48           3HE      TRP  48  -2.484  -1.712   1.080
  328    HZ2  TRP  48           2HZ      TRP  48   2.455  -2.339   1.367
  329    HZ3  TRP  48           3HZ      TRP  48  -1.080  -0.146   2.337
  330    HH2  TRP  48           HH       TRP  48   1.340  -0.443   2.468
  331    H    LEU  49           H        LEU  49  -1.396  -5.873   1.625
  332    HA   LEU  49           HA       LEU  49  -2.091  -4.398   4.068
  333   1HB   LEU  49          2HB       LEU  49  -1.339  -7.311   3.826
  334   2HB   LEU  49          1HB       LEU  49  -1.160  -6.426   5.330
  335    HG   LEU  49           HG       LEU  49  -3.736  -5.879   4.821
  336   1HD1  LEU  49          1HD1      LEU  49  -3.161  -8.491   3.458
  337   2HD1  LEU  49          2HD1      LEU  49  -4.754  -8.076   4.093
  338   3HD1  LEU  49          3HD1      LEU  49  -4.024  -7.088   2.827
  339   1HD2  LEU  49          1HD2      LEU  49  -4.251  -7.911   6.245
  340   2HD2  LEU  49          2HD2      LEU  49  -2.525  -8.265   6.178
  341   3HD2  LEU  49          3HD2      LEU  49  -3.089  -6.757   6.901
  342    H    CYS  50           H        CYS  50  -0.287  -3.546   5.178
  343    HA   CYS  50           HA       CYS  50   1.974  -2.879   3.778
  344   1HB   CYS  50          2HB       CYS  50   2.342  -3.294   6.710
  345   2HB   CYS  50          1HB       CYS  50   2.821  -1.935   5.708
  346    HA   PRO  51           HA       PRO  51   4.734  -6.299   3.538
  347   1HB   PRO  51          2HB       PRO  51   6.976  -4.652   4.521
  348   2HB   PRO  51          1HB       PRO  51   6.752  -5.429   2.951
  349   1HG   PRO  51          2HG       PRO  51   6.547  -2.780   3.212
  350   2HG   PRO  51          1HG       PRO  51   5.482  -3.683   2.116
  351   1HD   PRO  51          2HD       PRO  51   4.912  -2.621   4.861
  352   2HD   PRO  51          1HD       PRO  51   3.896  -2.576   3.404
  353    H    ARG  52           H        ARG  52   3.414  -6.132   6.061
  354    HA   ARG  52           HA       ARG  52   5.173  -7.872   7.553
  355   1HB   ARG  52          2HB       ARG  52   4.291  -6.540   9.712
  356   2HB   ARG  52          1HB       ARG  52   5.828  -6.183   8.944
  357   1HG   ARG  52          2HG       ARG  52   3.544  -4.704   7.848
  358   2HG   ARG  52          1HG       ARG  52   3.922  -4.353   9.535
  359   1HD   ARG  52          2HD       ARG  52   5.841  -4.208   7.212
  360   2HD   ARG  52          1HD       ARG  52   5.106  -2.837   8.040
  361    HE   ARG  52           HE       ARG  52   6.403  -3.420  10.008
  362   1HH1  ARG  52          2HH1      ARG  52   7.317  -5.072   7.056
  363   2HH1  ARG  52          1HH1      ARG  52   8.975  -5.287   7.532
  364   1HH2  ARG  52          2HH2      ARG  52   8.590  -3.738  10.654
  365   2HH2  ARG  52          1HH2      ARG  52   9.684  -4.573   9.589
  366    H    CYS  53           H        CYS  53   2.085  -6.235   7.252
  367    HA   CYS  53           HA       CYS  53   0.582  -8.202   8.702
  368   1HB   CYS  53          2HB       CYS  53  -0.839  -6.402   6.873
  369   2HB   CYS  53          1HB       CYS  53  -0.981  -6.570   8.630
  370    H    THR  54           H        THR  54   1.722  -7.808   5.505
  371    HA   THR  54           HA       THR  54  -0.227  -9.374   4.141
  372    HB   THR  54           HB       THR  54   1.253  -7.767   2.974
  373    HG1  THR  54           1HG      THR  54   0.719  -9.021   1.370
  374   1HG2  THR  54          1HG2      THR  54   3.510  -9.702   3.003
  375   2HG2  THR  54          2HG2      THR  54   3.293  -8.663   4.411
  376   3HG2  THR  54          3HG2      THR  54   3.526  -7.947   2.816
  377    H    CYS  55           H        CYS  55   2.290 -10.114   6.282
  378    HA   CYS  55           HA       CYS  55   2.455 -12.902   5.391
  379   1HB   CYS  55          2HB       CYS  55   4.006 -12.099   7.760
  380   2HB   CYS  55          1HB       CYS  55   4.519 -12.989   6.331
  381    HG   CYS  55           HG       CYS  55   5.950 -10.500   6.837
  382    HA   PRO  56           HA       PRO  56  -0.320 -14.237   8.575
  383   1HB   PRO  56          2HB       PRO  56   0.809 -16.617   9.293
  384   2HB   PRO  56          1HB       PRO  56  -0.123 -16.389   7.810
  385   1HG   PRO  56          2HG       PRO  56   2.845 -16.400   8.197
  386   2HG   PRO  56          1HG       PRO  56   1.880 -17.152   6.913
  387   1HD   PRO  56          2HD       PRO  56   3.181 -14.826   6.537
  388   2HD   PRO  56          1HD       PRO  56   1.616 -15.160   5.770
  389    H    ALA  57           H        ALA  57  -0.272 -15.090  10.907
  390    HA   ALA  57           HA       ALA  57   1.477 -13.368  12.412
  391   1HB   ALA  57          1HB       ALA  57   0.123 -13.811  14.256
  392   2HB   ALA  57          2HB       ALA  57  -0.990 -13.872  12.888
  393   3HB   ALA  57          3HB       ALA  57  -0.402 -15.368  13.614
  394    H    LEU  58           H        LEU  58   3.466 -14.445  11.730
  395    HA   LEU  58           HA       LEU  58   3.993 -17.099  12.731
  396   1HB   LEU  58          2HB       LEU  58   6.373 -15.633  12.019
  397   2HB   LEU  58          1HB       LEU  58   5.700 -17.081  11.299
  398    HG   LEU  58           HG       LEU  58   4.086 -15.032  10.330
  399   1HD1  LEU  58          1HD1      LEU  58   5.503 -13.275  10.995
  400   2HD1  LEU  58          2HD1      LEU  58   6.955 -14.160  10.527
  401   3HD1  LEU  58          3HD1      LEU  58   5.859 -13.543   9.289
  402   1HD2  LEU  58          1HD2      LEU  58   4.503 -16.297   8.555
  403   2HD2  LEU  58          2HD2      LEU  58   6.106 -15.570   8.435
  404   3HD2  LEU  58          3HD2      LEU  58   5.873 -17.044   9.376
  405    H    LYS  59           H        LYS  59   5.313 -17.669  14.403
  406    HA   LYS  59           HA       LYS  59   6.344 -17.567  16.413
  407   1HB   LYS  59          2HB       LYS  59   7.260 -15.142  15.033
  408   2HB   LYS  59          1HB       LYS  59   7.380 -15.061  16.786
  409   1HG   LYS  59          2HG       LYS  59   9.448 -15.877  16.033
  410   2HG   LYS  59          1HG       LYS  59   8.589 -17.276  16.678
  411   1HD   LYS  59          2HD       LYS  59   8.036 -16.879  13.862
  412   2HD   LYS  59          1HD       LYS  59   9.763 -17.056  14.171
  413   1HE   LYS  59          2HE       LYS  59   7.547 -18.971  14.868
  414   2HE   LYS  59          1HE       LYS  59   8.907 -19.239  13.778
  415   1HZ   LYS  59          1HZ       LYS  59   8.879 -19.162  16.724
  416   2HZ   LYS  59          2HZ       LYS  59  10.314 -18.847  15.876
  417   3HZ   LYS  59          3HZ       LYS  59   9.532 -20.339  15.693
  418    H    GLY  60           H        GLY  60   3.530 -16.765  16.133
  419   1HA   GLY  60          1HA       GLY  60   3.197 -14.807  18.282
  420   2HA   GLY  60          2HA       GLY  60   1.917 -15.484  17.289
  421    H    LYS  61           H        LYS  61   1.822 -17.999  17.541
  422    HA   LYS  61           HA       LYS  61   2.486 -18.986  20.155
  423   1HB   LYS  61          2HB       LYS  61   0.043 -17.683  19.959
  424   2HB   LYS  61          1HB       LYS  61  -0.379 -19.379  19.753
  425   1HG   LYS  61          2HG       LYS  61  -0.476 -19.353  21.995
  426   2HG   LYS  61          1HG       LYS  61   1.274 -19.553  21.875
  427   1HD   LYS  61          2HD       LYS  61   0.854 -16.812  21.647
  428   2HD   LYS  61          1HD       LYS  61  -0.266 -17.332  22.908
  429   1HE   LYS  61          2HE       LYS  61   1.934 -18.681  23.658
  430   2HE   LYS  61          1HE       LYS  61   2.686 -17.288  22.882
  431   1HZ   LYS  61          1HZ       LYS  61   1.603 -17.428  25.432
  432   2HZ   LYS  61          2HZ       LYS  61   0.573 -16.420  24.537
  433   3HZ   LYS  61          3HZ       LYS  61   2.228 -16.060  24.650