*HEADER    PROTEIN FIBRIL                          30-APR-12   2LSH              
*TITLE     SOLUTION STRUCTURE OF THE CLASS I HYDROPHOBIN DEWA                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPORE-WALL FUNGAL HYDROPHOBIN DEWA;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIDULANS;                           
*SOURCE   3 ORGANISM_TAXID: 227321;                                              
*SOURCE   4 STRAIN: FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139;         
*SOURCE   5 GENE: DEWA, AN8006;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PHUE                                       
*KEYWDS    HYDROPHOBIN, FUNCTIONAL AMYLOID, SURFACE ACTIVE PROTEIN, PROTEIN      
*KEYWDS   2 FIBRIL                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.K.MORRIS, A.H.KWAN, J.P.MACKAY, M.SUNDE                             
*REVDAT   1   21-NOV-12 2LSH    0                                                


 ASSI {  743}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 51   and name HD1%)
      6.000     5.000     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.999 ppm2      0.781 CV     1
 OR {  743}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 51   and name HD1%)
 OR {  743}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI {  745}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.892 ppm2      0.798 CV     1
 OR {  745}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 94   and name HG2%)
 OR {  745}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 ASSI {  809}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.403 ppm2      0.829 CV     1
 OR {  809}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  828}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 67   and name HB3 ))
      6.000     5.000     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      2.501 CV     1
 OR {  828}
   (  segid "    " and resid 96   and name HB% )
   (( segid "    " and resid 105  and name HB3 ))
 OR {  828}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 105  and name HB3 ))
 ASSI {  831}
   (  segid "    " and resid 96   and name HB% )
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.089 ppm2      0.791 CV     1
 OR {  831}
   (  segid "    " and resid 96   and name HB% )
   (  segid "    " and resid 94   and name HG2%)
 OR {  831}
   (  segid "    " and resid 96   and name HB% )
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  840}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      6.000     5.000     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.407 ppm2      0.721 CV     1
 OR {  840}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 32   and name HD1%)
 ASSI {  898}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 73   and name HG2%)
      2.400     1.200     1.200 peak   898 spectrum    1 weight  0.10000E+01 volume  0.15777E-01 ppm1      0.239 ppm2      0.723 CV     1
 OR {  898}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 82   and name HG1%)
 ASSI {  911}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     5.000     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.000 ppm2      1.430 CV     1
 OR {  911}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 51   and name HB3 ))
 OR {  911}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 46   and name HG  ))
 ASSI {  920}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     2.400     2.100 peak   920 spectrum    1 weight  0.10000E+01 volume  0.88225E-03 ppm1      4.873 ppm2      1.938 CV     1
 OR {  920}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 99   and name HG3 ))
 OR {  920}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  926}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.100     2.600     1.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.66573E-03 ppm1      4.838 ppm2      1.604 CV     1
 OR {  926}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI {  934}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.512 ppm2      1.113 CV     1
 OR {  934}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 33   and name HB% )
 ASSI {  944}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.600     1.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.47088E-02 ppm1      3.008 ppm2      4.681 CV     1
 OR {  944}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  944}
   (( segid "    " and resid 69   and name HE3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  944}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
 OR {  944}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  947}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      0.943 CV     1
 OR {  947}
   (( segid "    " and resid 69   and name HE2 ))
   (  segid "    " and resid 72   and name HD1%)
 ASSI {  987}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 37   and name HB3 ))
      3.600     2.100     2.100 peak   987 spectrum    1 weight  0.10000E+01 volume  0.14018E-02 ppm1      0.619 ppm2      3.898 CV     1
 OR {  987}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  991}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      3.500     2.000     2.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.17996E-02 ppm1      0.680 ppm2      4.426 CV     1
 OR {  991}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 OR {  991}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  994}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 89   and name HB3 ))
      6.000     5.000     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      1.592 CV     1
 OR {  994}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 78   and name HG  ))
 ASSI {  998}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.700     1.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.31121E-02 ppm1      0.792 ppm2      5.086 CV     1
 OR {  998}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 1000}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 22   and name HA  ))
      6.000     5.000     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.485 ppm2      4.040 CV     1
 OR { 1000}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 1005}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 83   and name HA  ))
      3.600     2.100     2.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.15020E-02 ppm1      0.567 ppm2      5.038 CV     1
 OR { 1005}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 88   and name HA1 ))
 ASSI { 1008}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.800     1.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      1.596 ppm2      4.547 CV     1
 OR { 1008}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
 OR { 1008}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 1013}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 71   and name HB3 ))
      6.000     5.000     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      3.926 CV     1
 OR { 1013}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 49   and name HA1 ))
 OR { 1013}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 1013}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 49   and name HA2 ))
 ASSI { 1019}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.949 ppm2      1.833 CV     1
 OR { 1019}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 1023}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 79   and name HB3 ))
      6.000     5.000     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.774 ppm2      1.619 CV     1
 OR { 1023}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 92   and name HD2 ))
 ASSI { 1028}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.700     1.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.38699E-02 ppm1      1.308 ppm2      3.914 CV     1
 OR { 1028}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1029}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.800     1.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.28685E-02 ppm1      1.312 ppm2      4.143 CV     1
 OR { 1029}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1033}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 34   and name HB2 ))
      3.800     2.300     2.200 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.94986E-03 ppm1      1.183 ppm2      3.793 CV     1
 OR { 1033}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1040}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 32   and name HG12))
      3.700     2.200     2.200 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      0.238 ppm2      1.623 CV     1
 OR { 1040}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1052}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 41   and name HG2%)
      6.000     5.000     0.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.761 ppm2      1.085 CV     1
 OR { 1052}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 96   and name HB% )
 ASSI {  251}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      1.900     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.31272E-01 ppm1      8.449 ppm2      4.680 CV     1
 OR {  251}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI {  624}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      6.000     5.000     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.941 ppm2      4.681 CV     1
 OR {  624}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  685}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.000     1.700     1.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.20414E-02 ppm1      7.934 ppm2      0.700 CV     1
 OR {  685}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
 ASSI {  693}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      4.100     2.600     1.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.34067E-03 ppm1      9.695 ppm2      0.922 CV     1
 OR {  693}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
 OR {  693}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
 ASSI {  740}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
      2.300     1.200     1.200 peak   740 spectrum    1 weight  0.10000E+01 volume  0.10142E-01 ppm1      8.569 ppm2      2.319 CV     1
 OR {  740}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
 OR {  740}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI {  963}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      3.000     1.600     1.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.22169E-02 ppm1      7.778 ppm2      0.952 CV     1
 OR {  963}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
 ASSI { 1004}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.200     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.30491E-04 ppm1      8.566 ppm2      0.976 CV     1
 OR { 1004}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1113}
   (( segid "    " and resid 9    and name HD22))
   (  segid "    " and resid 10   and name HB% )
      6.000     5.000     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.946 ppm2      1.383 CV     1
 OR { 1113}
   (( segid "    " and resid 9    and name HD22))
   (  segid "    " and resid 6    and name HB% )
 OR { 1113}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI { 1114}
   (( segid "    " and resid 9    and name HD21))
   (  segid "    " and resid 10   and name HB% )
      6.000     5.000     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.630 ppm2      1.381 CV     1
 OR { 1114}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI { 1145}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.446 ppm2      0.945 CV     1
 OR { 1145}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
 ASSI { 1158}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      2.800     1.500     1.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.36603E-02 ppm1      7.779 ppm2      1.014 CV     1
 OR { 1158}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
 ASSI { 1192}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.690 ppm2      1.911 CV     1
 OR { 1192}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
 ASSI { 1258}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.692 ppm2      0.787 CV     1
 OR { 1258}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
 OR { 1258}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {    1}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
      6.000     5.000     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.844 ppm2      2.116 CV     1
 ASSI {    2}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      6.000     5.000     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.847 ppm2      1.010 CV     1
 ASSI {    3}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      6.000     5.000     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.840 ppm2      0.987 CV     1
 ASSI {    6}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      6.000     5.000     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.109 ppm2      0.987 CV     1
 ASSI {    8}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 29   and name HB  ))
      2.800     1.400     1.400 peak     8 spectrum    1 weight  0.10000E+01 volume  0.70091E-02 ppm1      1.003 ppm2      2.113 CV     1
 ASSI {    9}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 29   and name HG2%)
      6.000     5.000     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.021 ppm2      0.986 CV     1
 ASSI {   14}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HG12))
      6.000     5.000     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.739 ppm2      1.625 CV     1
 ASSI {   15}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HG13))
      6.000     5.000     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.733 ppm2      1.205 CV     1
 ASSI {   18}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HG12))
      2.700     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.83078E-02 ppm1      1.901 ppm2      1.623 CV     1
 ASSI {   19}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HG13))
      2.400     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.14830E-01 ppm1      1.896 ppm2      1.197 CV     1
 ASSI {   20}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HD1%)
      2.300     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.19431E-01 ppm1      1.904 ppm2      0.721 CV     1
 ASSI {   21}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.100     1.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.31663E-01 ppm1      1.899 ppm2      1.002 CV     1
 ASSI {   24}
   (( segid "    " and resid 32   and name HG12))
   (  segid "    " and resid 32   and name HG2%)
      6.000     5.000     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      1.002 CV     1
 ASSI {   26}
   (( segid "    " and resid 32   and name HG13))
   (( segid "    " and resid 32   and name HG12))
      6.000     5.000     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.205 ppm2      1.626 CV     1
 ASSI {   27}
   (( segid "    " and resid 32   and name HG13))
   (  segid "    " and resid 32   and name HD1%)
      2.700     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.80371E-02 ppm1      1.198 ppm2      0.739 CV     1
 ASSI {   30}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HG12))
      2.500     1.300     1.300 peak    30 spectrum    1 weight  0.10000E+01 volume  0.13693E-01 ppm1      0.719 ppm2      1.633 CV     1
 ASSI {   35}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HG13))
      2.400     1.200     1.200 peak    35 spectrum    1 weight  0.10000E+01 volume  0.17780E-01 ppm1      1.000 ppm2      1.206 CV     1
 ASSI {   36}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 32   and name HD1%)
      2.200     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.30580E-01 ppm1      1.001 ppm2      0.725 CV     1
 ASSI {   37}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HB% )
      2.600     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10094E-01 ppm1      5.020 ppm2      1.133 CV     1
 ASSI {   39}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     5.000     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.966 ppm2      3.782 CV     1
 ASSI {   40}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     5.000     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.968 ppm2      2.374 CV     1
 ASSI {   43}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      6.000     5.000     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.024 ppm2      2.913 CV     1
 ASSI {   44}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      6.000     5.000     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.021 ppm2      2.606 CV     1
 ASSI {   47}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.72797E-02 ppm1      5.374 ppm2      2.719 CV     1
 ASSI {   48}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.900     1.600     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.46546E-02 ppm1      5.378 ppm2      2.530 CV     1
 ASSI {   51}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     5.000     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.378 ppm2      4.253 CV     1
 ASSI {   52}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     5.000     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.377 ppm2      3.901 CV     1
 ASSI {   55}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      2.200     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.24193E-01 ppm1      3.789 ppm2      1.218 CV     1
 ASSI {   57}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      6.000     5.000     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      3.896 CV     1
 OR {   57}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {   59}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      1.859 CV     1
 ASSI {   60}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.289 ppm2      1.643 CV     1
 ASSI {   61}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      6.000     5.000     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      1.594 CV     1
 ASSI {   62}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.000     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      0.938 CV     1
 ASSI {   65}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      1.643 CV     1
 ASSI {   66}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HG  ))
      6.000     5.000     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      1.596 CV     1
 ASSI {   67}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.000     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      0.937 CV     1
 ASSI {   68}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.857 ppm2      0.989 CV     1
 ASSI {   70}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      0.990 CV     1
 ASSI {   72}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      0.990 CV     1
 ASSI {   75}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.941 ppm2      0.988 CV     1
 ASSI {   76}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.000     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.44382E-01 ppm1      0.982 ppm2      4.295 CV     1
 ASSI {   80}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.245 ppm2      1.865 CV     1
 ASSI {   81}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.000     1.000     1.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.43299E-01 ppm1      3.245 ppm2      0.706 CV     1
 ASSI {   82}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     5.000     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.909 ppm2      3.248 CV     1
 ASSI {   83}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     5.000     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.908 ppm2      0.706 CV     1
 ASSI {   84}
   (( segid "    " and resid 73   and name HG12))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      0.692 CV     1
 ASSI {   85}
   (( segid "    " and resid 73   and name HG13))
   (  segid "    " and resid 73   and name HD1%)
      6.000     5.000     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      0.693 CV     1
 ASSI {   86}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.000     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.685 ppm2      1.892 CV     1
 ASSI {   91}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     1.400     1.400 peak    91 spectrum    1 weight  0.10000E+01 volume  0.90925E-02 ppm1      4.428 ppm2      2.702 CV     1
 ASSI {   92}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.400     1.200     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.14884E-01 ppm1      4.427 ppm2      2.530 CV     1
 ASSI {   94}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB3 ))
      6.000     5.000     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.717 ppm2      2.551 CV     1
 ASSI {   97}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.000     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.266 ppm2      4.074 CV     1
 ASSI {   98}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB3 ))
      6.000     5.000     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      2.074 CV     1
 ASSI {   99}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     5.000     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.267 ppm2      2.484 CV     1
 ASSI {  100}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG3 ))
      6.000     5.000     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.268 ppm2      2.331 CV     1
 ASSI {  101}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.000     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      4.076 CV     1
 ASSI {  103}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.70361E-02 ppm1      2.481 ppm2      4.077 CV     1
 ASSI {  105}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.700     1.400     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.85786E-02 ppm1      2.484 ppm2      2.066 CV     1
 ASSI {  106}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HG3 ))
      6.000     5.000     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.329 CV     1
 ASSI {  107}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16670E-01 ppm1      2.326 ppm2      4.076 CV     1
 ASSI {  109}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HB3 ))
      6.000     5.000     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.342 ppm2      2.075 CV     1
 ASSI {  111}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.375 ppm2      1.638 CV     1
 ASSI {  112}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      6.000     5.000     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.372 ppm2      1.530 CV     1
 ASSI {  113}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.372 ppm2      0.807 CV     1
 ASSI {  114}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
      6.000     5.000     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      0.787 CV     1
 ASSI {  115}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      0.811 CV     1
 ASSI {  116}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
      6.000     5.000     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      0.786 CV     1
 ASSI {  117}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     5.000     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.574 ppm2      1.842 CV     1
 ASSI {  118}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      6.000     5.000     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.577 ppm2      1.278 CV     1
 ASSI {  119}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     5.000     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.565 ppm2      1.578 CV     1
 ASSI {  120}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     5.000     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.577 ppm2      0.624 CV     1
 ASSI {  123}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     5.000     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.842 ppm2      0.653 CV     1
 ASSI {  126}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     5.000     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      0.653 CV     1
 ASSI {  130}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     5.000     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      0.645 CV     1
 ASSI {  132}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
      2.800     1.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.57912E-02 ppm1      0.619 ppm2      1.848 CV     1
 ASSI {  133}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG  ))
      2.500     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.12259E-01 ppm1      0.620 ppm2      1.580 CV     1
 ASSI {  134}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 78   and name HD2%)
      1.800     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.80371E-01 ppm1      0.620 ppm2      0.638 CV     1
 ASSI {  135}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
      2.500     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.12422E-01 ppm1      0.642 ppm2      4.577 CV     1
 ASSI {  138}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     5.000     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      1.737 CV     1
 ASSI {  139}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
      6.000     5.000     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      1.626 CV     1
 ASSI {  140}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
      6.000     5.000     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      0.958 CV     1
 ASSI {  141}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     5.000     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      0.827 CV     1
 ASSI {  143}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
      6.000     5.000     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      1.625 CV     1
 ASSI {  144}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
      6.000     5.000     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.739 ppm2      0.954 CV     1
 ASSI {  145}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     5.000     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      0.827 CV     1
 ASSI {  147}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
      6.000     5.000     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      0.954 CV     1
 ASSI {  148}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     5.000     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.622 ppm2      0.827 CV     1
 ASSI {  149}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     5.000     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      3.868 CV     1
 ASSI {  150}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     5.000     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      0.828 CV     1
 ASSI {  152}
   (  segid "    " and resid 79   and name HD2%)
   (  segid "    " and resid 79   and name HD1%)
      6.000     5.000     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      0.957 CV     1
 ASSI {  153}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      6.000     5.000     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      1.864 CV     1
 ASSI {  154}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      6.000     5.000     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.416 ppm2      1.531 CV     1
 ASSI {  155}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG  ))
      6.000     5.000     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.413 ppm2      1.415 CV     1
 ASSI {  158}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 81   and name HD1%)
      6.000     5.000     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.839 ppm2      0.883 CV     1
 ASSI {  161}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 81   and name HD1%)
      6.000     5.000     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.515 ppm2      0.892 CV     1
 ASSI {  162}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 81   and name HD2%)
      6.000     5.000     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      0.698 CV     1
 ASSI {  164}
   (( segid "    " and resid 81   and name HG  ))
   (  segid "    " and resid 81   and name HD2%)
      6.000     5.000     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.417 ppm2      0.699 CV     1
 ASSI {  165}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
      6.000     5.000     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      4.419 CV     1
 ASSI {  166}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HG  ))
      6.000     5.000     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      1.420 CV     1
 ASSI {  167}
   (  segid "    " and resid 81   and name HD1%)
   (  segid "    " and resid 81   and name HD2%)
      6.000     5.000     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.881 ppm2      0.699 CV     1
 ASSI {  168}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HA  ))
      2.200     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.23869E-01 ppm1      0.694 ppm2      4.419 CV     1
 ASSI {  171}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB  ))
      2.300     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.18619E-01 ppm1      5.059 ppm2      2.076 CV     1
 ASSI {  177}
   (  segid "    " and resid 82   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      2.500     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.11393E-01 ppm1      0.729 ppm2      5.063 CV     1
 ASSI {  178}
   (  segid "    " and resid 82   and name HG1%)
   (( segid "    " and resid 82   and name HB  ))
      2.300     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.19133E-01 ppm1      0.728 ppm2      2.067 CV     1
 ASSI {  179}
   (  segid "    " and resid 82   and name HG1%)
   (  segid "    " and resid 82   and name HG2%)
      6.000     5.000     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.728 ppm2      0.781 CV     1
 ASSI {  180}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      2.600     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      0.772 ppm2      5.045 CV     1
 ASSI {  181}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HB  ))
      2.400     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14992E-01 ppm1      0.776 ppm2      2.068 CV     1
 ASSI {  183}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      6.000     5.000     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.017 ppm2      2.422 CV     1
 ASSI {  184}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.300     1.100     1.100 peak   184 spectrum    1 weight  0.10000E+01 volume  0.22191E-01 ppm1      5.017 ppm2      2.118 CV     1
 ASSI {  186}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
      2.200     1.100     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.29498E-01 ppm1      2.418 ppm2      2.116 CV     1
 ASSI {  189}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      2.100     1.100     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.34639E-01 ppm1      4.857 ppm2      4.458 CV     1
 ASSI {  190}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      2.100     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.37346E-01 ppm1      4.857 ppm2      1.159 CV     1
 ASSI {  192}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 85   and name HG2%)
      2.200     1.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.29768E-01 ppm1      4.447 ppm2      1.163 CV     1
 ASSI {  194}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      6.000     5.000     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.141 CV     1
 ASSI {  195}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
      6.000     5.000     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.074 CV     1
 ASSI {  196}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG2 ))
      6.000     5.000     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.385 CV     1
 ASSI {  197}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG3 ))
      6.000     5.000     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.350 CV     1
 ASSI {  199}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
      6.000     5.000     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.391 ppm2      2.139 CV     1
 ASSI {  200}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB3 ))
      6.000     5.000     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.383 ppm2      2.070 CV     1
 ASSI {  201}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HG3 ))
      6.000     5.000     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.391 ppm2      2.352 CV     1
 ASSI {  203}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HB2 ))
      6.000     5.000     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.348 ppm2      2.139 CV     1
 ASSI {  204}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HB3 ))
      6.000     5.000     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      2.070 CV     1
 ASSI {  207}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.300     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.22001E-01 ppm1      4.533 ppm2      1.681 CV     1
 ASSI {  209}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     1.300     1.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.10635E-01 ppm1      2.352 ppm2      4.537 CV     1
 ASSI {  210}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
      6.000     5.000     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.349 ppm2      1.687 CV     1
 ASSI {  211}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
      6.000     5.000     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.354 ppm2      2.219 CV     1
 OR {  211}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG3 ))
 ASSI {  215}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
      2.000     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.46546E-01 ppm1      2.205 ppm2      4.531 CV     1
 OR {  215}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  217}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HB3 ))
      2.200     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.28956E-01 ppm1      2.208 ppm2      1.683 CV     1
 OR {  217}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  218}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.400     1.200     1.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.16047E-01 ppm1      5.215 ppm2      1.814 CV     1
 ASSI {  219}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB3 ))
      2.600     1.300     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.10582E-01 ppm1      5.217 ppm2      1.602 CV     1
 ASSI {  222}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HB2 ))
      6.000     5.000     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      1.822 CV     1
 ASSI {  223}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HG2 ))
      6.000     5.000     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      1.760 CV     1
 OR {  223}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HG3 ))
 ASSI {  224}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HA  ))
      6.000     5.000     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.767 ppm2      5.225 CV     1
 OR {  224}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  225}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HD2 ))
      6.000     5.000     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.758 ppm2      3.640 CV     1
 OR {  225}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HD2 ))
 ASSI {  226}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HD3 ))
      6.000     5.000     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.760 ppm2      3.568 CV     1
 OR {  226}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HD3 ))
 ASSI {  227}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
      2.400     1.200     1.200 peak   227 spectrum    1 weight  0.10000E+01 volume  0.18186E-01 ppm1      4.429 ppm2      2.220 CV     1
 ASSI {  228}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HG1%)
      6.000     5.000     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.429 ppm2      0.687 CV     1
 ASSI {  232}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HG2%)
      6.000     5.000     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.217 ppm2      0.573 CV     1
 ASSI {  234}
   (  segid "    " and resid 90   and name HG1%)
   (( segid "    " and resid 90   and name HB  ))
      2.400     1.200     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.16047E-01 ppm1      0.682 ppm2      2.214 CV     1
 ASSI {  235}
   (  segid "    " and resid 90   and name HG1%)
   (  segid "    " and resid 90   and name HG2%)
      6.000     5.000     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.687 ppm2      0.573 CV     1
 ASSI {  236}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      2.600     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10798E-01 ppm1      0.565 ppm2      4.440 CV     1
 ASSI {  239}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.500     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.11203E-01 ppm1      4.933 ppm2      3.157 CV     1
 ASSI {  240}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB3 ))
      6.000     5.000     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.937 ppm2      2.470 CV     1
 ASSI {  243}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     5.000     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.498 CV     1
 ASSI {  244}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.294 CV     1
 ASSI {  245}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.624 CV     1
 ASSI {  246}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.762 ppm2      1.562 CV     1
 ASSI {  247}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.294 CV     1
 ASSI {  248}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG3 ))
      6.000     5.000     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.260 CV     1
 ASSI {  249}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HE3 ))
      3.400     1.900     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.20378E-02 ppm1      3.768 ppm2      2.954 CV     1
 OR {  249}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HE2 ))
 ASSI {  251}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.495 ppm2      1.285 CV     1
 ASSI {  252}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.492 ppm2      1.627 CV     1
 ASSI {  253}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      1.568 CV     1
 ASSI {  254}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HE2 ))
      6.000     5.000     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.498 ppm2      2.957 CV     1
 OR {  254}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  256}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      1.621 CV     1
 ASSI {  257}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      1.566 CV     1
 ASSI {  258}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.311 ppm2      1.285 CV     1
 ASSI {  259}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HE2 ))
      6.000     5.000     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      2.955 CV     1
 OR {  259}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  263}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HE2 ))
      6.000     5.000     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      2.954 CV     1
 OR {  263}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  266}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.600     1.300     1.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.10960E-01 ppm1      5.068 ppm2      3.190 CV     1
 ASSI {  267}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      2.400     1.200     1.200 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14235E-01 ppm1      5.068 ppm2      2.970 CV     1
 ASSI {  271}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      6.000     5.000     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.527 CV     1
 ASSI {  272}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG12))
      6.000     5.000     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.174 ppm2      1.386 CV     1
 ASSI {  273}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG13))
      6.000     5.000     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      1.013 CV     1
 ASSI {  277}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HG12))
      6.000     5.000     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      1.390 CV     1
 ASSI {  278}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     5.000     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.527 ppm2      0.624 CV     1
 ASSI {  279}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HG2%)
      6.000     5.000     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      0.796 CV     1
 ASSI {  282}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 94   and name HD1%)
      6.000     5.000     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.387 ppm2      0.625 CV     1
 ASSI {  283}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 94   and name HG2%)
      6.000     5.000     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.393 ppm2      0.797 CV     1
 ASSI {  286}
   (( segid "    " and resid 94   and name HG13))
   (  segid "    " and resid 94   and name HG2%)
      6.000     5.000     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      0.797 CV     1
 ASSI {  287}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HA  ))
      2.900     1.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.51959E-02 ppm1      0.620 ppm2      4.186 CV     1
 ASSI {  290}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HG13))
      2.500     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.13206E-01 ppm1      0.618 ppm2      1.016 CV     1
 ASSI {  291}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 94   and name HG2%)
      6.000     5.000     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.624 ppm2      0.796 CV     1
 ASSI {  292}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HA  ))
      2.500     1.300     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.11609E-01 ppm1      0.796 ppm2      4.173 CV     1
 ASSI {  297}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB  ))
      6.000     5.000     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.843 ppm2      1.904 CV     1
 ASSI {  298}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.842 ppm2      0.909 CV     1
 ASSI {  299}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.842 ppm2      0.939 CV     1
 ASSI {  301}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      0.908 CV     1
 ASSI {  302}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.907 ppm2      0.938 CV     1
 ASSI {  305}
   (  segid "    " and resid 95   and name HG1%)
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.904 ppm2      0.936 CV     1
 ASSI {  308}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HB% )
      2.100     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.36534E-01 ppm1      5.087 ppm2      1.105 CV     1
 ASSI {  310}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.400     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15452E-01 ppm1      5.192 ppm2      3.025 CV     1
 ASSI {  311}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.400     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.17049E-01 ppm1      5.192 ppm2      2.676 CV     1
 ASSI {  314}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      6.000     5.000     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.175 ppm2      3.147 CV     1
 ASSI {  315}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
      6.000     5.000     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.174 ppm2      2.784 CV     1
 ASSI {  318}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.300     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.22678E-01 ppm1      4.494 ppm2      2.308 CV     1
 ASSI {  319}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB3 ))
      2.100     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.34369E-01 ppm1      4.493 ppm2      1.952 CV     1
 ASSI {  323}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     5.000     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      4.499 CV     1
 OR {  323}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  324}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     5.000     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.936 ppm2      2.324 CV     1
 ASSI {  325}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
      1.800     0.900     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.78207E-01 ppm1      4.150 ppm2      1.974 CV     1
 OR {  325}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  326}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      2.200     1.100     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.28685E-01 ppm1      4.154 ppm2      2.298 CV     1
 OR {  326}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  328}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HG3 ))
      6.000     5.000     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.971 ppm2      2.297 CV     1
 OR {  328}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR {  328}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  331}
   (( segid "    " and resid 102  and name HB  ))
   (  segid "    " and resid 102  and name HG2%)
      1.900     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.59807E-01 ppm1      4.305 ppm2      1.155 CV     1
 ASSI {  332}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.500     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.14018E-01 ppm1      4.876 ppm2      2.593 CV     1
 OR {  332}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  334}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.700     1.400     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.77128E-02 ppm1      5.062 ppm2      3.356 CV     1
 ASSI {  335}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB3 ))
      2.400     1.200     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15452E-01 ppm1      5.065 ppm2      2.507 CV     1
 ASSI {  339}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.545 ppm2      0.960 CV     1
 ASSI {  340}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     5.000     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.545 ppm2      0.902 CV     1
 ASSI {  341}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     1.100     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.30580E-01 ppm1      2.007 ppm2      4.547 CV     1
 ASSI {  342}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.013 ppm2      0.960 CV     1
 ASSI {  343}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     5.000     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.012 ppm2      0.902 CV     1
 ASSI {  346}
   (  segid "    " and resid 106  and name HG1%)
   (  segid "    " and resid 106  and name HG2%)
      6.000     5.000     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      0.902 CV     1
 ASSI {  350}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB  ))
      2.000     1.000     1.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.51959E-01 ppm1      4.159 ppm2      2.097 CV     1
 ASSI {  351}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      0.904 CV     1
 ASSI {  354}
   (( segid "    " and resid 108  and name HB  ))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      0.904 CV     1
 ASSI {  355}
   (( segid "    " and resid 108  and name HB  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     5.000     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      0.854 CV     1
 ASSI {  358}
   (  segid "    " and resid 108  and name HG1%)
   (  segid "    " and resid 108  and name HG2%)
      6.000     5.000     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.902 ppm2      0.854 CV     1
 ASSI {  359}
   (  segid "    " and resid 108  and name HG2%)
   (( segid "    " and resid 108  and name HA  ))
      2.100     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.35992E-01 ppm1      0.849 ppm2      4.180 CV     1
 ASSI {  364}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HA  ))
      2.100     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.31933E-01 ppm1      2.669 ppm2      4.659 CV     1
 ASSI {  365}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     1.400     1.400 peak   365 spectrum    1 weight  0.10000E+01 volume  0.79018E-02 ppm1      2.620 ppm2      4.662 CV     1
 ASSI {  366}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     5.000     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      1.831 CV     1
 ASSI {  367}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB3 ))
      6.000     5.000     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      1.753 CV     1
 ASSI {  368}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HD2 ))
      6.000     5.000     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.346 ppm2      1.666 CV     1
 OR {  368}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HD3 ))
 ASSI {  369}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HE3 ))
      6.000     5.000     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      2.977 CV     1
 OR {  369}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HE2 ))
 ASSI {  370}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HG2 ))
      6.000     5.000     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      1.418 CV     1
 OR {  370}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HG3 ))
 ASSI {  372}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HB3 ))
      6.000     5.000     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.831 ppm2      1.753 CV     1
 ASSI {  373}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HD3 ))
      6.000     5.000     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.832 ppm2      1.667 CV     1
 OR {  373}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HD2 ))
 ASSI {  374}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HE3 ))
      6.000     5.000     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.832 ppm2      2.977 CV     1
 OR {  374}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HE2 ))
 ASSI {  375}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HG3 ))
      6.000     5.000     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      1.418 CV     1
 OR {  375}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HG2 ))
 ASSI {  378}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HD3 ))
      6.000     5.000     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      1.667 CV     1
 OR {  378}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HD2 ))
 ASSI {  379}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HE3 ))
      6.000     5.000     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      2.977 CV     1
 OR {  379}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HE2 ))
 ASSI {  380}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HG2 ))
      6.000     5.000     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      1.416 CV     1
 OR {  380}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HG3 ))
 ASSI {  384}
   (( segid "    " and resid 116  and name HD3 ))
   (( segid "    " and resid 116  and name HE2 ))
      6.000     5.000     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      2.971 CV     1
 OR {  384}
   (( segid "    " and resid 116  and name HD3 ))
   (( segid "    " and resid 116  and name HE3 ))
 OR {  384}
   (( segid "    " and resid 116  and name HD2 ))
   (( segid "    " and resid 116  and name HE2 ))
 OR {  384}
   (( segid "    " and resid 116  and name HD2 ))
   (( segid "    " and resid 116  and name HE3 ))
 ASSI {  385}
   (( segid "    " and resid 116  and name HD2 ))
   (( segid "    " and resid 116  and name HG2 ))
      6.000     5.000     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.670 ppm2      1.420 CV     1
 OR {  385}
   (( segid "    " and resid 116  and name HD3 ))
   (( segid "    " and resid 116  and name HG3 ))
 OR {  385}
   (( segid "    " and resid 116  and name HD3 ))
   (( segid "    " and resid 116  and name HG2 ))
 OR {  385}
   (( segid "    " and resid 116  and name HD2 ))
   (( segid "    " and resid 116  and name HG3 ))
 ASSI {  390}
   (( segid "    " and resid 116  and name HE2 ))
   (( segid "    " and resid 116  and name HG3 ))
      6.000     5.000     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      1.417 CV     1
 OR {  390}
   (( segid "    " and resid 116  and name HE3 ))
   (( segid "    " and resid 116  and name HG3 ))
 OR {  390}
   (( segid "    " and resid 116  and name HE3 ))
   (( segid "    " and resid 116  and name HG2 ))
 ASSI {  396}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     5.000     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.030 CV     1
 ASSI {  397}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB3 ))
      6.000     5.000     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      1.866 CV     1
 ASSI {  399}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HB3 ))
      6.000     5.000     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.030 ppm2      1.866 CV     1
 ASSI {  400}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HG3 ))
      6.000     5.000     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.030 ppm2      2.177 CV     1
 OR {  400}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI {  403}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     5.000     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      2.177 CV     1
 OR {  403}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG3 ))
 ASSI {  406}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     5.000     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.176 ppm2      4.103 CV     1
 OR {  406}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HA  ))
 ASSI {  407}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     5.000     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.272 ppm2      1.860 CV     1
 ASSI {  408}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     5.000     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.724 CV     1
 ASSI {  409}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE2 ))
      6.000     5.000     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      2.956 CV     1
 ASSI {  410}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE3 ))
      6.000     5.000     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      2.934 CV     1
 ASSI {  412}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      6.000     5.000     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      1.317 CV     1
 ASSI {  413}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG3 ))
      6.000     5.000     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      1.316 CV     1
 ASSI {  414}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HG2 ))
      6.000     5.000     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.492 CV     1
 ASSI {  415}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     5.000     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.495 ppm2      1.858 CV     1
 ASSI {  416}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     5.000     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.485 ppm2      1.726 CV     1
 ASSI {  417}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HD2 ))
      6.000     5.000     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.490 ppm2      1.625 CV     1
 ASSI {  418}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HE2 ))
      6.000     5.000     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      2.958 CV     1
 ASSI {  419}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HE3 ))
      6.000     5.000     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      2.935 CV     1
 ASSI {  420}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG2 ))
      6.000     5.000     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      1.488 CV     1
 ASSI {  421}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG3 ))
      6.000     5.000     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.487 ppm2      1.315 CV     1
 ASSI {  422}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG3 ))
      6.000     5.000     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.483 ppm2      1.318 CV     1
 ASSI {  425}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     5.000     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.765 ppm2      1.323 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     5.000     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      0.908 CV     1
 ASSI {  427}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      0.931 CV     1
 ASSI {  432}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.321 ppm2      0.940 CV     1
 ASSI {  433}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.319 ppm2      0.412 CV     1
 ASSI {  434}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD2%)
      2.800     1.500     1.500 peak   434 spectrum    1 weight  0.10000E+01 volume  0.66302E-02 ppm1      1.320 ppm2      0.248 CV     1
 ASSI {  436}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.11934E-01 ppm1      0.909 ppm2      1.329 CV     1
 ASSI {  437}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.914 ppm2      0.936 CV     1
 ASSI {  438}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.909 ppm2      0.415 CV     1
 ASSI {  439}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD2%)
      2.800     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.69008E-02 ppm1      0.908 ppm2      0.248 CV     1
 ASSI {  443}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.922 ppm2      0.415 CV     1
 ASSI {  444}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
      6.000     5.000     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.923 ppm2      0.244 CV     1
 ASSI {  445}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.700     1.400     1.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.79018E-02 ppm1      0.408 ppm2      3.774 CV     1
 ASSI {  449}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 12   and name HD2%)
      2.400     1.200     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.15588E-01 ppm1      0.406 ppm2      0.237 CV     1
 ASSI {  450}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      2.700     1.400     1.400 peak   450 spectrum    1 weight  0.10000E+01 volume  0.80914E-02 ppm1      0.240 ppm2      3.768 CV     1
 ASSI {  455}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      6.000     5.000     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.528 ppm2      4.657 CV     1
 ASSI {  456}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     1.100     1.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34369E-01 ppm1      4.526 ppm2      1.083 CV     1
 ASSI {  458}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      1.900     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.56830E-01 ppm1      4.655 ppm2      1.087 CV     1
 ASSI {  459}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     1.400     1.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.77396E-02 ppm1      4.805 ppm2      4.566 CV     1
 ASSI {  460}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.805 ppm2      4.182 CV     1
 ASSI {  463}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      6.000     5.000     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.598 ppm2      4.281 CV     1
 ASSI {  464}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HB% )
      2.100     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.34910E-01 ppm1      4.005 ppm2      0.954 CV     1
 ASSI {  466}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     5.000     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.539 ppm2      3.677 CV     1
 ASSI {  467}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     5.000     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.536 ppm2      3.181 CV     1
 ASSI {  470}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      1.900     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.68196E-01 ppm1      3.840 ppm2      1.486 CV     1
 ASSI {  472}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.063 ppm2      1.889 CV     1
 ASSI {  473}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.063 ppm2      1.843 CV     1
 ASSI {  476}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
      6.000     5.000     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.067 ppm2      1.656 CV     1
 OR {  476}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  477}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HE3 ))
      6.000     5.000     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      2.917 CV     1
 OR {  477}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HE2 ))
 ASSI {  479}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      6.000     5.000     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      1.537 CV     1
 ASSI {  480}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD3 ))
      6.000     5.000     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      1.654 CV     1
 ASSI {  481}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HE2 ))
      6.000     5.000     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      2.915 CV     1
 OR {  481}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI {  483}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      6.000     5.000     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.535 CV     1
 ASSI {  484}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     5.000     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.842 ppm2      1.450 CV     1
 ASSI {  485}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HD3 ))
      6.000     5.000     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.838 ppm2      1.654 CV     1
 ASSI {  486}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HE2 ))
      6.000     5.000     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.842 ppm2      2.915 CV     1
 OR {  486}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI {  487}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     1.300     1.300 peak   487 spectrum    1 weight  0.10000E+01 volume  0.11934E-01 ppm1      1.534 ppm2      4.057 CV     1
 ASSI {  490}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     5.000     0.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      1.451 CV     1
 ASSI {  491}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HD3 ))
      6.000     5.000     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.538 ppm2      1.656 CV     1
 OR {  491}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  492}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     1.400     1.400 peak   492 spectrum    1 weight  0.10000E+01 volume  0.86329E-02 ppm1      1.447 ppm2      4.053 CV     1
 ASSI {  493}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.888 CV     1
 ASSI {  497}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HE2 ))
      6.000     5.000     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      2.918 CV     1
 OR {  497}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HE3 ))
 OR {  497}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HE2 ))
 ASSI {  502}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     5.000     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.916 ppm2      1.452 CV     1
 OR {  502}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  504}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     5.000     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      2.116 CV     1
 ASSI {  505}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.600     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.96072E-02 ppm1      3.988 ppm2      2.508 CV     1
 ASSI {  506}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     5.000     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      3.993 CV     1
 ASSI {  507}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     5.000     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.307 ppm2      2.118 CV     1
 ASSI {  508}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      6.000     5.000     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.322 ppm2      2.509 CV     1
 ASSI {  510}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
      6.000     5.000     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.118 ppm2      2.509 CV     1
 ASSI {  514}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     5.000     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      2.131 CV     1
 ASSI {  515}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     5.000     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      3.988 CV     1
 ASSI {  516}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.000     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      2.318 CV     1
 ASSI {  517}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     5.000     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      2.118 CV     1
 ASSI {  519}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HB% )
      1.900     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.65761E-01 ppm1      4.033 ppm2      1.007 CV     1
 ASSI {  521}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.000     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.165 CV     1
 ASSI {  522}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.031 CV     1
 ASSI {  524}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.166 ppm2      2.032 CV     1
 ASSI {  525}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     5.000     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      2.283 CV     1
 ASSI {  527}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     5.000     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.364 ppm2      2.284 CV     1
 ASSI {  528}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     5.000     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.094 ppm2      2.162 CV     1
 ASSI {  529}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HB% )
      1.900     0.900     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.67926E-01 ppm1      4.068 ppm2      1.356 CV     1
 ASSI {  531}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     5.000     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      2.124 CV     1
 ASSI {  532}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     5.000     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      1.941 CV     1
 ASSI {  533}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      6.000     5.000     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.258 CV     1
 ASSI {  534}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG3 ))
      6.000     5.000     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      2.195 CV     1
 ASSI {  537}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.374 ppm2      2.769 CV     1
 ASSI {  538}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.374 ppm2      2.731 CV     1
 ASSI {  541}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     5.000     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.952 ppm2      2.905 CV     1
 ASSI {  542}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     5.000     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.953 ppm2      2.402 CV     1
 ASSI {  544}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB3 ))
      2.700     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.86054E-02 ppm1      2.915 ppm2      2.393 CV     1
 ASSI {  547}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      6.000     5.000     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      1.965 CV     1
 ASSI {  548}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      6.000     5.000     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.669 CV     1
 ASSI {  549}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG  ))
      6.000     5.000     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.451 CV     1
 ASSI {  550}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HD1%)
      6.000     5.000     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.306 ppm2      0.935 CV     1
 ASSI {  551}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HD2%)
      6.000     5.000     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      0.963 CV     1
 ASSI {  553}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
      2.800     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.60348E-02 ppm1      1.957 ppm2      1.665 CV     1
 ASSI {  554}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG  ))
      6.000     5.000     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      1.447 CV     1
 ASSI {  555}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 46   and name HD1%)
      6.000     5.000     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.960 ppm2      0.934 CV     1
 ASSI {  556}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 46   and name HD2%)
      6.000     5.000     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.960 ppm2      0.963 CV     1
 ASSI {  558}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HG  ))
      6.000     5.000     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.666 ppm2      1.445 CV     1
 ASSI {  562}
   (( segid "    " and resid 46   and name HG  ))
   (  segid "    " and resid 46   and name HD1%)
      6.000     5.000     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      0.933 CV     1
 ASSI {  563}
   (( segid "    " and resid 46   and name HG  ))
   (  segid "    " and resid 46   and name HD2%)
      6.000     5.000     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      0.963 CV     1
 ASSI {  569}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     5.000     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      2.048 CV     1
 ASSI {  570}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     1.400     1.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.84975E-02 ppm1      3.854 ppm2      1.407 CV     1
 ASSI {  571}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     5.000     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.855 ppm2      1.914 CV     1
 ASSI {  572}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      0.865 CV     1
 ASSI {  573}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      0.762 CV     1
 ASSI {  575}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     1.500     1.500 peak   575 spectrum    1 weight  0.10000E+01 volume  0.54936E-02 ppm1      2.039 ppm2      1.407 CV     1
 ASSI {  576}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     5.000     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      1.910 CV     1
 ASSI {  577}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      0.864 CV     1
 ASSI {  578}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      0.762 CV     1
 ASSI {  581}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     5.000     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.410 ppm2      1.909 CV     1
 ASSI {  582}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      0.865 CV     1
 ASSI {  583}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.413 ppm2      0.763 CV     1
 ASSI {  587}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      0.865 CV     1
 ASSI {  588}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.912 ppm2      0.761 CV     1
 ASSI {  593}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      0.761 CV     1
 ASSI {  599}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     5.000     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      3.898 CV     1
 OR {  599}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  600}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.061 ppm2      1.983 CV     1
 ASSI {  601}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     5.000     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.058 ppm2      1.235 CV     1
 ASSI {  602}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.060 ppm2      0.760 CV     1
 ASSI {  603}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.061 ppm2      0.802 CV     1
 ASSI {  605}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      0.800 CV     1
 ASSI {  607}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      1.996 CV     1
 ASSI {  608}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.230 ppm2      0.761 CV     1
 ASSI {  609}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      0.800 CV     1
 ASSI {  610}
   (( segid "    " and resid 50   and name HG  ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      0.757 CV     1
 ASSI {  611}
   (( segid "    " and resid 50   and name HG  ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.801 CV     1
 ASSI {  613}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.756 ppm2      0.801 CV     1
 ASSI {  616}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     5.000     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      1.947 CV     1
 ASSI {  617}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     5.000     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      1.435 CV     1
 ASSI {  618}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG  ))
      6.000     5.000     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      1.492 CV     1
 ASSI {  619}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD1%)
      6.000     5.000     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      0.767 CV     1
 ASSI {  620}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      0.832 CV     1
 ASSI {  622}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG  ))
      6.000     5.000     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.951 ppm2      1.494 CV     1
 ASSI {  623}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD1%)
      6.000     5.000     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.948 ppm2      0.768 CV     1
 ASSI {  624}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      0.832 CV     1
 ASSI {  628}
   (( segid "    " and resid 51   and name HG  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.491 ppm2      0.835 CV     1
 ASSI {  631}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HG  ))
      6.000     5.000     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      1.491 CV     1
 ASSI {  632}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      0.832 CV     1
 ASSI {  633}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HB% )
      1.900     1.000     1.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.56830E-01 ppm1      4.447 ppm2      1.481 CV     1
 ASSI {  635}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     5.000     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      4.373 CV     1
 ASSI {  636}
   (( segid "    " and resid 55   and name HG  ))
   (  segid "    " and resid 55   and name HD1%)
      6.000     5.000     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      0.806 CV     1
 ASSI {  637}
   (( segid "    " and resid 55   and name HG  ))
   (  segid "    " and resid 55   and name HD2%)
      6.000     5.000     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      0.787 CV     1
 ASSI {  638}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
      6.000     5.000     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.804 ppm2      4.380 CV     1
 ASSI {  639}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     5.000     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.700 ppm2      1.936 CV     1
 ASSI {  640}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     5.000     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.697 ppm2      0.856 CV     1
 ASSI {  641}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD2%)
      6.000     5.000     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.700 ppm2      0.888 CV     1
 ASSI {  643}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     5.000     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.934 ppm2      1.318 CV     1
 ASSI {  644}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     5.000     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.926 ppm2      0.852 CV     1
 ASSI {  645}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD2%)
      6.000     5.000     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.928 ppm2      0.884 CV     1
 ASSI {  647}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HB3 ))
      6.000     5.000     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.873 ppm2      1.315 CV     1
 ASSI {  648}
   (  segid "    " and resid 56   and name HD2%)
   (  segid "    " and resid 56   and name HD1%)
      6.000     5.000     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.883 ppm2      0.856 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.500     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.11258E-01 ppm1      4.869 ppm2      3.003 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.13261E-01 ppm1      2.378 ppm2      4.870 CV     1
 ASSI {  653}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     1.400     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.82536E-02 ppm1      2.374 ppm2      2.995 CV     1
 ASSI {  654}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.385 ppm2      1.716 CV     1
 ASSI {  655}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     5.000     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.386 ppm2      1.320 CV     1
 ASSI {  656}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      6.000     5.000     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.385 ppm2      1.462 CV     1
 ASSI {  657}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.380 ppm2      0.780 CV     1
 ASSI {  658}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.385 ppm2      0.773 CV     1
 ASSI {  660}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     5.000     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      1.316 CV     1
 ASSI {  661}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      6.000     5.000     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.712 ppm2      1.452 CV     1
 ASSI {  662}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.715 ppm2      0.775 CV     1
 ASSI {  663}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.716 ppm2      0.777 CV     1
 ASSI {  666}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
      6.000     5.000     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.315 ppm2      1.449 CV     1
 ASSI {  667}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.319 ppm2      0.775 CV     1
 ASSI {  668}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.321 ppm2      0.775 CV     1
 ASSI {  670}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.458 ppm2      0.772 CV     1
 ASSI {  671}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.458 ppm2      0.772 CV     1
 ASSI {  676}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      0.773 CV     1
 ASSI {  682}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     1.100     1.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.24356E-01 ppm1      5.054 ppm2      2.684 CV     1
 ASSI {  685}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
      2.100     1.000     1.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.36804E-01 ppm1      2.679 ppm2      2.366 CV     1
 ASSI {  686}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13044E-01 ppm1      2.365 ppm2      5.057 CV     1
 ASSI {  688}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      6.000     5.000     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.071 ppm2      4.036 CV     1
 ASSI {  689}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      6.000     5.000     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.071 ppm2      1.244 CV     1
 ASSI {  690}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
      1.800     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.79293E-01 ppm1      4.045 ppm2      1.250 CV     1
 ASSI {  694}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HA1 ))
      2.500     1.300     1.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13098E-01 ppm1      3.641 ppm2      4.330 CV     1
 ASSI {  695}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     5.000     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.141 ppm2      3.874 CV     1
 ASSI {  696}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     5.000     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      3.752 CV     1
 ASSI {  697}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
      2.400     1.200     1.200 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15804E-01 ppm1      4.921 ppm2      1.321 CV     1
 ASSI {  699}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     5.000     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.547 ppm2      2.697 CV     1
 ASSI {  700}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      6.000     5.000     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.546 ppm2      2.494 CV     1
 ASSI {  703}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HB% )
      2.100     1.100     1.100 peak   703 spectrum    1 weight  0.10000E+01 volume  0.32203E-01 ppm1      4.842 ppm2      1.190 CV     1
 ASSI {  705}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     5.000     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.468 ppm2      2.138 CV     1
 ASSI {  706}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      6.000     5.000     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      1.671 CV     1
 ASSI {  707}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      6.000     5.000     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.458 ppm2      1.595 CV     1
 ASSI {  709}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.139 ppm2      1.937 CV     1
 ASSI {  710}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HD3 ))
      6.000     5.000     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.784 CV     1
 ASSI {  711}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
      6.000     5.000     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.148 ppm2      1.596 CV     1
 ASSI {  712}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HE2 ))
      6.000     5.000     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.134 ppm2      3.011 CV     1
 OR {  712}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI {  714}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.673 ppm2      1.926 CV     1
 ASSI {  715}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HE2 ))
      6.000     5.000     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.675 ppm2      3.013 CV     1
 OR {  715}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI {  716}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HD3 ))
      6.000     5.000     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.929 ppm2      1.788 CV     1
 ASSI {  717}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HE3 ))
      2.600     1.400     1.400 peak   717 spectrum    1 weight  0.10000E+01 volume  0.89036E-02 ppm1      1.925 ppm2      3.016 CV     1
 OR {  717}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HE2 ))
 ASSI {  719}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HE3 ))
      2.600     1.300     1.300 peak   719 spectrum    1 weight  0.10000E+01 volume  0.11041E-01 ppm1      1.778 ppm2      3.014 CV     1
 OR {  719}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HE2 ))
 ASSI {  720}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      1.932 CV     1
 ASSI {  721}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD3 ))
      6.000     5.000     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.598 ppm2      1.789 CV     1
 ASSI {  722}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HE2 ))
      6.000     5.000     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      3.014 CV     1
 OR {  722}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI {  723}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.386 ppm2      1.924 CV     1
 ASSI {  724}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD3 ))
      6.000     5.000     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      1.789 CV     1
 ASSI {  725}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HE2 ))
      6.000     5.000     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.390 ppm2      3.012 CV     1
 OR {  725}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI {  729}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.600     1.300     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.10013E-01 ppm1      3.765 ppm2      2.433 CV     1
 ASSI {  731}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      3.000     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.46276E-02 ppm1      5.062 ppm2      0.900 CV     1
 ASSI {  732}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.065 ppm2      1.117 CV     1
 ASSI {  733}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     5.000     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.065 ppm2      1.931 CV     1
 OR {  733}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 99   and name HG3 ))
 ASSI {  734}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 102  and name HA  ))
      1.900     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.58183E-01 ppm1      4.307 ppm2      4.675 CV     1
 ASSI {  735}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      3.800     2.300     2.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.95529E-03 ppm1      3.245 ppm2      1.597 CV     1
 ASSI {  736}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.500     1.300     1.300 peak   736 spectrum    1 weight  0.10000E+01 volume  0.11826E-01 ppm1      4.093 ppm2      4.333 CV     1
 ASSI {  737}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.57101E-02 ppm1      4.092 ppm2      2.328 CV     1
 ASSI {  738}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     1.400     1.400 peak   738 spectrum    1 weight  0.10000E+01 volume  0.84164E-02 ppm1      4.092 ppm2      1.939 CV     1
 ASSI {  739}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.000     1.600     1.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.40593E-02 ppm1      4.093 ppm2      1.739 CV     1
 ASSI {  740}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      2.700     1.400     1.400 peak   740 spectrum    1 weight  0.10000E+01 volume  0.74150E-02 ppm1      4.091 ppm2      1.077 CV     1
 ASSI {  741}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 82   and name HG1%)
      2.600     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.11122E-01 ppm1      5.216 ppm2      0.722 CV     1
 ASSI {  742}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 41   and name HG2%)
      6.000     5.000     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.000 ppm2      1.069 CV     1
 OR {  742}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI {  744}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      6.000     5.000     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      1.067 CV     1
 ASSI {  746}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      3.100     1.700     1.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.36263E-02 ppm1      4.544 ppm2      1.405 CV     1
 ASSI {  747}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.000     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      2.693 CV     1
 ASSI {  748}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      1.102 CV     1
 ASSI {  749}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.700     2.200     2.200 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      4.544 ppm2      3.797 CV     1
 ASSI {  750}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.052 ppm2      1.300 CV     1
 ASSI {  751}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HG3 ))
      6.000     5.000     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.058 ppm2      1.251 CV     1
 ASSI {  752}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      6.000     5.000     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.523 ppm2      1.378 CV     1
 ASSI {  753}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.200     1.800     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      3.777 ppm2      1.706 CV     1
 ASSI {  755}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     5.000     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.190 ppm2      2.812 CV     1
 ASSI {  756}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
      6.000     5.000     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.060 ppm2      3.851 CV     1
 ASSI {  757}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 99   and name HD3 ))
      6.000     5.000     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.061 ppm2      3.714 CV     1
 ASSI {  758}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.200     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      5.067 ppm2      3.123 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     5.000     0.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.805 ppm2      3.765 CV     1
 ASSI {  761}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 116  and name HD2 ))
      6.000     5.000     0.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.799 ppm2      1.662 CV     1
 OR {  761}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 116  and name HD3 ))
 ASSI {  762}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      2.700     1.400     1.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.87139E-02 ppm1      3.785 ppm2      1.905 CV     1
 ASSI {  763}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.800     1.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.69549E-02 ppm1      3.789 ppm2      0.707 CV     1
 ASSI {  764}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.200     1.800     1.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.28145E-02 ppm1      3.789 ppm2      0.416 CV     1
 ASSI {  765}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      3.400     2.000     2.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.18564E-02 ppm1      3.790 ppm2      0.244 CV     1
 ASSI {  766}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 17   and name HB% )
      3.100     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.35452E-02 ppm1      4.532 ppm2      0.953 CV     1
 ASSI {  767}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.400     1.200     1.200 peak   767 spectrum    1 weight  0.10000E+01 volume  0.16508E-01 ppm1      4.375 ppm2      4.010 CV     1
 OR {  767}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  768}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.062 ppm2      2.730 CV     1
 ASSI {  769}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HB% )
      2.400     1.200     1.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.17509E-01 ppm1      3.840 ppm2      1.005 CV     1
 ASSI {  770}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.004 ppm2      1.841 CV     1
 ASSI {  771}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      2.700     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.82536E-02 ppm1      4.004 ppm2      1.655 CV     1
 OR {  771}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  772}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 96   and name HB% )
      3.500     2.000     2.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.16156E-02 ppm1      5.189 ppm2      1.097 CV     1
 ASSI {  773}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
      4.300     2.900     1.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.45464E-03 ppm1      5.187 ppm2      0.732 CV     1
 ASSI {  774}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     5.000     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.068 ppm2      5.383 CV     1
 ASSI {  775}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HG2 ))
      2.800     1.400     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.70361E-02 ppm1      5.175 ppm2      1.938 CV     1
 OR {  775}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HG3 ))
 ASSI {  776}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HD3 ))
      6.000     5.000     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.171 ppm2      3.715 CV     1
 ASSI {  777}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     5.000     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      2.106 CV     1
 ASSI {  778}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 32   and name HD1%)
      2.700     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.80914E-02 ppm1      4.030 ppm2      0.728 CV     1
 ASSI {  779}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      3.000     1.600     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.42217E-02 ppm1      4.447 ppm2      0.945 CV     1
 ASSI {  780}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 49   and name HA1 ))
      6.000     5.000     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      3.936 CV     1
 OR {  780}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 49   and name HA2 ))
 ASSI {  782}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 92   and name HE3 ))
      6.000     5.000     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.019 ppm2      2.946 CV     1
 OR {  782}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 92   and name HE2 ))
 ASSI {  783}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 92   and name HD3 ))
      3.100     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.36804E-02 ppm1      5.018 ppm2      1.566 CV     1
 ASSI {  784}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.019 ppm2      1.289 CV     1
 ASSI {  785}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
      6.000     5.000     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.018 ppm2      0.578 CV     1
 ASSI {  786}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     5.000     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.054 ppm2      4.087 CV     1
 ASSI {  787}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     5.000     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.917 ppm2      4.151 CV     1
 ASSI {  788}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 58   and name HA2 ))
      2.600     1.400     1.400 peak   788 spectrum    1 weight  0.10000E+01 volume  0.92822E-02 ppm1      4.917 ppm2      3.629 CV     1
 ASSI {  789}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.921 ppm2      0.825 CV     1
 ASSI {  790}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.10987E-01 ppm1      5.017 ppm2      4.461 CV     1
 ASSI {  791}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 81   and name HD1%)
      2.400     1.200     1.200 peak   791 spectrum    1 weight  0.10000E+01 volume  0.14992E-01 ppm1      4.840 ppm2      0.900 CV     1
 ASSI {  792}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      3.700     2.200     2.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      4.841 ppm2      0.678 CV     1
 ASSI {  793}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      2.400     1.200     1.200 peak   793 spectrum    1 weight  0.10000E+01 volume  0.17644E-01 ppm1      5.088 ppm2      4.264 CV     1
 ASSI {  794}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      2.600     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.98236E-02 ppm1      5.086 ppm2      1.414 CV     1
 ASSI {  795}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      2.500     1.300     1.300 peak   795 spectrum    1 weight  0.10000E+01 volume  0.12205E-01 ppm1      5.082 ppm2      0.860 CV     1
 ASSI {  796}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.700     1.400     1.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.76318E-02 ppm1      5.382 ppm2      3.196 CV     1
 ASSI {  797}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      2.800     1.400     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.70361E-02 ppm1      5.375 ppm2      2.965 CV     1
 ASSI {  799}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     1.300     1.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.97693E-02 ppm1      2.111 ppm2      3.769 CV     1
 ASSI {  800}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 90   and name HG2%)
      2.600     1.300     1.300 peak   800 spectrum    1 weight  0.10000E+01 volume  0.10717E-01 ppm1      2.419 ppm2      0.575 CV     1
 ASSI {  801}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 90   and name HG2%)
      6.000     5.000     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      0.579 CV     1
 ASSI {  802}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 92   and name HD3 ))
      2.700     1.400     1.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.79293E-02 ppm1      2.109 ppm2      1.562 CV     1
 ASSI {  803}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 92   and name HG2 ))
      2.500     1.300     1.300 peak   803 spectrum    1 weight  0.10000E+01 volume  0.13125E-01 ppm1      2.110 ppm2      1.281 CV     1
 ASSI {  804}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      1.292 CV     1
 ASSI {  805}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.422 ppm2      1.560 CV     1
 ASSI {  806}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     5.000     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.400 ppm2      1.400 CV     1
 ASSI {  807}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     5.000     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      1.403 CV     1
 ASSI {  808}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.916 ppm2      0.844 CV     1
 ASSI {  810}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 58   and name HA1 ))
      2.300     1.100     1.100 peak   810 spectrum    1 weight  0.10000E+01 volume  0.22732E-01 ppm1      3.626 ppm2      4.577 CV     1
 ASSI {  812}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 32   and name HG12))
      6.000     5.000     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.015 ppm2      1.614 CV     1
 ASSI {  813}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HB3 ))
      2.500     1.300     1.300 peak   813 spectrum    1 weight  0.10000E+01 volume  0.12936E-01 ppm1      3.189 ppm2      2.968 CV     1
 ASSI {  816}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      2.600     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10338E-01 ppm1      2.361 ppm2      0.779 CV     1
 OR {  816}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  817}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.66573E-02 ppm1      2.676 ppm2      0.782 CV     1
 OR {  817}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  818}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 39   and name HB% )
      6.000     5.000     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.720 ppm2      1.353 CV     1
 ASSI {  819}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.800     1.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      1.903 ppm2      3.855 CV     1
 ASSI {  820}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11880E-01 ppm1      1.899 ppm2      4.736 CV     1
 ASSI {  821}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 18   and name HZ  ))
      6.000     5.000     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      6.971 CV     1
 ASSI {  822}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 18   and name HE% )
      3.200     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.29227E-02 ppm1      1.897 ppm2      7.268 CV     1
 ASSI {  823}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 17   and name HB% )
      2.600     1.300     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10717E-01 ppm1      2.204 ppm2      0.951 CV     1
 OR {  823}
   (( segid "    " and resid 87   and name HG3 ))
   (  segid "    " and resid 17   and name HB% )
 ASSI {  824}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 95   and name HG2%)
      3.800     2.300     2.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      2.497 ppm2      0.919 CV     1
 OR {  824}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 95   and name HG1%)
 ASSI {  825}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     5.000     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.259 ppm2      4.291 CV     1
 ASSI {  826}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.000     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      4.281 CV     1
 ASSI {  827}
   (( segid "    " and resid 94   and name HG13))
   (( segid "    " and resid 94   and name HG12))
      3.000     1.600     1.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.42488E-02 ppm1      1.006 ppm2      1.385 CV     1
 ASSI {  829}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 67   and name HB2 ))
      6.000     5.000     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      2.696 CV     1
 ASSI {  830}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      2.600     1.400     1.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.95261E-02 ppm1      1.120 ppm2      4.460 CV     1
 ASSI {  832}
   (  segid "    " and resid 96   and name HB% )
   (  segid "    " and resid 107  and name HB% )
      6.000     5.000     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.089 ppm2      1.420 CV     1
 ASSI {  833}
   (  segid "    " and resid 96   and name HB% )
   (( segid "    " and resid 105  and name HB3 ))
      6.000     5.000     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.089 ppm2      2.510 CV     1
 ASSI {  834}
   (  segid "    " and resid 96   and name HB% )
   (( segid "    " and resid 105  and name HB2 ))
      2.800     1.500     1.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.59807E-02 ppm1      1.090 ppm2      3.356 CV     1
 ASSI {  835}
   (  segid "    " and resid 96   and name HB% )
   (( segid "    " and resid 107  and name HA  ))
      2.500     1.300     1.300 peak   835 spectrum    1 weight  0.10000E+01 volume  0.13801E-01 ppm1      1.091 ppm2      4.262 CV     1
 ASSI {  836}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     5.000     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.619 ppm2      3.255 CV     1
 ASSI {  837}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.619 ppm2      0.861 CV     1
 ASSI {  838}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB3 ))
      3.000     1.600     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.45735E-02 ppm1      0.620 ppm2      1.280 CV     1
 ASSI {  839}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 32   and name HB  ))
      6.000     5.000     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.408 ppm2      1.903 CV     1
 ASSI {  842}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
      6.000     5.000     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.406 ppm2      3.197 CV     1
 ASSI {  843}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
      6.000     5.000     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.406 ppm2      4.426 CV     1
 ASSI {  844}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     5.000     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.406 ppm2      4.536 CV     1
 ASSI {  846}
   (  segid "    " and resid 90   and name HG1%)
   (  segid "    " and resid 85   and name HG2%)
      2.800     1.500     1.500 peak   846 spectrum    1 weight  0.10000E+01 volume  0.63596E-02 ppm1      0.681 ppm2      1.171 CV     1
 ASSI {  847}
   (  segid "    " and resid 90   and name HG1%)
   (  segid "    " and resid 17   and name HB% )
      2.100     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.33016E-01 ppm1      0.682 ppm2      0.963 CV     1
 ASSI {  848}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
      2.500     1.300     1.300 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11177E-01 ppm1      1.308 ppm2      1.935 CV     1
 ASSI {  849}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.700     1.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.36534E-02 ppm1      1.311 ppm2      1.073 CV     1
 ASSI {  850}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 51   and name HD2%)
      1.900     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.60619E-01 ppm1      1.309 ppm2      0.840 CV     1
 ASSI {  851}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.500     1.500 peak   851 spectrum    1 weight  0.10000E+01 volume  0.69279E-02 ppm1      0.694 ppm2      6.010 CV     1
 ASSI {  852}
   (  segid "    " and resid 82   and name HG1%)
   (  segid "    " and resid 12   and name HD2%)
      6.000     5.000     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.727 ppm2      0.244 CV     1
 ASSI {  853}
   (  segid "    " and resid 82   and name HG1%)
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      0.413 CV     1
 ASSI {  854}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.800     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.27333E-02 ppm1      0.694 ppm2      5.556 CV     1
 ASSI {  855}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
      2.800     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.66843E-02 ppm1      0.693 ppm2      1.863 CV     1
 ASSI {  856}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      6.000     5.000     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.644 ppm2      3.866 CV     1
 ASSI {  858}
   (  segid "    " and resid 82   and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      6.000     5.000     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      3.868 CV     1
 ASSI {  859}
   (  segid "    " and resid 82   and name HG1%)
   (( segid "    " and resid 89   and name HB3 ))
      6.000     5.000     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      1.597 CV     1
 ASSI {  860}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 20   and name HD3 ))
      2.600     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.94986E-02 ppm1      0.950 ppm2      1.661 CV     1
 OR {  860}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  862}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.000     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      4.066 CV     1
 ASSI {  863}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 73   and name HB  ))
      2.900     1.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.54665E-02 ppm1      1.211 ppm2      1.921 CV     1
 ASSI {  864}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.210 ppm2      0.938 CV     1
 ASSI {  865}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 73   and name HD1%)
      2.900     1.500     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.56560E-02 ppm1      1.208 ppm2      0.698 CV     1
 OR {  865}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  866}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.51689E-02 ppm1      1.212 ppm2      0.418 CV     1
 ASSI {  867}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 12   and name HD2%)
      2.700     1.400     1.400 peak   867 spectrum    1 weight  0.10000E+01 volume  0.73067E-02 ppm1      1.211 ppm2      0.242 CV     1
 ASSI {  869}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.600     1.300     1.300 peak   869 spectrum    1 weight  0.10000E+01 volume  0.10148E-01 ppm1      0.996 ppm2      4.741 CV     1
 ASSI {  870}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 18   and name HZ  ))
      2.500     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.12503E-01 ppm1      0.996 ppm2      6.969 CV     1
 ASSI {  871}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 18   and name HE% )
      2.500     1.300     1.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.11826E-01 ppm1      0.995 ppm2      7.270 CV     1
 ASSI {  872}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.348 ppm2      2.780 CV     1
 ASSI {  873}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 40   and name HG3 ))
      6.000     5.000     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.348 ppm2      2.204 CV     1
 ASSI {  874}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 17   and name HB% )
      3.100     1.700     1.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.31392E-02 ppm1      1.601 ppm2      0.957 CV     1
 ASSI {  875}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 87   and name HG2 ))
      3.100     1.700     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.37887E-02 ppm1      1.598 ppm2      2.224 CV     1
 OR {  875}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 87   and name HG3 ))
 ASSI {  876}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.37075E-02 ppm1      1.599 ppm2      2.342 CV     1
 ASSI {  877}
   (  segid "    " and resid 90   and name HG2%)
   (  segid "    " and resid 85   and name HG2%)
      2.200     1.100     1.100 peak   877 spectrum    1 weight  0.10000E+01 volume  0.28956E-01 ppm1      0.566 ppm2      1.163 CV     1
 ASSI {  878}
   (  segid "    " and resid 90   and name HG2%)
   (  segid "    " and resid 17   and name HB% )
      3.000     1.600     1.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.44382E-02 ppm1      0.566 ppm2      0.948 CV     1
 ASSI {  880}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 35   and name HB3 ))
      2.900     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.52500E-02 ppm1      0.793 ppm2      2.599 CV     1
 ASSI {  881}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
      2.700     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.77671E-02 ppm1      0.794 ppm2      2.924 CV     1
 ASSI {  882}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      2.200     1.100     1.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.30851E-01 ppm1      1.481 ppm2      4.283 CV     1
 ASSI {  883}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 22   and name HB% )
      2.400     1.200     1.200 peak   883 spectrum    1 weight  0.10000E+01 volume  0.15940E-01 ppm1      1.481 ppm2      1.003 CV     1
 ASSI {  884}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      0.416 CV     1
 ASSI {  885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 12   and name HD2%)
      6.000     5.000     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      0.249 CV     1
 ASSI {  886}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.685 ppm2      0.420 CV     1
 ASSI {  887}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 12   and name HD2%)
      3.100     1.700     1.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.32203E-02 ppm1      0.684 ppm2      0.245 CV     1
 ASSI {  888}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.600     1.400     1.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.90925E-02 ppm1      0.685 ppm2      3.795 CV     1
 ASSI {  889}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
      6.000     5.000     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.681 ppm2      1.513 CV     1
 ASSI {  891}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      2.700     1.400     1.400 peak   891 spectrum    1 weight  0.10000E+01 volume  0.81189E-02 ppm1      0.620 ppm2      2.935 CV     1
 ASSI {  892}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 35   and name HB3 ))
      3.000     1.600     1.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.42488E-02 ppm1      0.619 ppm2      2.599 CV     1
 ASSI {  893}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      2.833 CV     1
 ASSI {  894}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
      2.500     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.11826E-01 ppm1      0.720 ppm2      4.740 CV     1
 ASSI {  895}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.000     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.720 ppm2      4.038 CV     1
 ASSI {  896}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      6.000     5.000     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.720 ppm2      3.850 CV     1
 ASSI {  897}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.500     1.300     1.300 peak   897 spectrum    1 weight  0.10000E+01 volume  0.12990E-01 ppm1      4.536 ppm2      7.441 CV     1
 ASSI {  899}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      2.200     1.100     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.24572E-01 ppm1      0.774 ppm2      3.866 CV     1
 ASSI {  901}
   (  segid "    " and resid 108  and name HG2%)
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.846 ppm2      1.101 CV     1
 ASSI {  902}
   (  segid "    " and resid 82   and name HG2%)
   (  segid "    " and resid 12   and name HD2%)
      6.000     5.000     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      0.241 CV     1
 ASSI {  903}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      6.000     5.000     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      1.416 CV     1
 ASSI {  904}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 83   and name HA  ))
      3.000     1.700     1.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.39240E-02 ppm1      3.766 ppm2      5.039 CV     1
 ASSI {  905}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 99   and name HG3 ))
      6.000     5.000     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.306 ppm2      1.943 CV     1
 OR {  905}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 99   and name HB3 ))
 OR {  905}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  907}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG12))
      6.000     5.000     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.244 ppm2      1.727 CV     1
 ASSI {  908}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG13))
      6.000     5.000     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.242 ppm2      0.809 CV     1
 ASSI {  909}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      4.800     3.400     1.200 peak   909 spectrum    1 weight  0.10000E+01 volume  0.25411E-03 ppm1      4.092 ppm2      3.694 CV     1
 OR {  909}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
 ASSI {  910}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.002 ppm2      2.723 CV     1
 OR {  910}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI {  912}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.000     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.000 ppm2      4.315 CV     1
 OR {  912}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  913}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.200     1.800     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.30309E-02 ppm1      5.060 ppm2      2.437 CV     1
 ASSI {  914}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 95   and name HG2%)
      3.600     2.100     2.100 peak   914 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      3.982 ppm2      0.928 CV     1
 ASSI {  916}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
      6.000     5.000     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.064 ppm2      2.779 CV     1
 ASSI {  917}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 73   and name HG12))
      3.200     1.800     1.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.28956E-02 ppm1      3.790 ppm2      1.727 CV     1
 ASSI {  918}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 90   and name HG1%)
      3.500     2.000     2.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.17049E-02 ppm1      4.009 ppm2      0.675 CV     1
 ASSI {  919}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     5.000     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.192 ppm2      4.735 CV     1
 ASSI {  921}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
      6.000     5.000     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.173 ppm2      3.867 CV     1
 ASSI {  922}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 82   and name HG2%)
      6.000     5.000     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.018 ppm2      0.779 CV     1
 ASSI {  924}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 58   and name HA1 ))
      3.200     1.800     1.800 peak   924 spectrum    1 weight  0.10000E+01 volume  0.28415E-02 ppm1      4.921 ppm2      4.581 CV     1
 ASSI {  925}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.834 ppm2      1.862 CV     1
 ASSI {  927}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HG12))
      6.000     5.000     0.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      1.634 CV     1
 ASSI {  928}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      4.000     2.500     2.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.76853E-03 ppm1      5.379 ppm2      0.799 CV     1
 ASSI {  932}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      4.300     2.800     1.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.48171E-03 ppm1      3.354 ppm2      0.779 CV     1
 OR {  932}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  933}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HB2 ))
      3.700     2.200     2.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11177E-02 ppm1      2.511 ppm2      3.358 CV     1
 ASSI {  935}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      3.600     2.100     2.100 peak   935 spectrum    1 weight  0.10000E+01 volume  0.15046E-02 ppm1      2.512 ppm2      0.774 CV     1
 OR {  935}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  936}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     5.000     0.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.485 ppm2      2.690 CV     1
 ASSI {  938}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      1.985 CV     1
 OR {  938}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HG  ))
 ASSI {  939}
   (( segid "    " and resid 58   and name HA2 ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.631 ppm2      0.821 CV     1
 ASSI {  941}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HB3 ))
      2.800     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.63054E-02 ppm1      3.135 ppm2      2.781 CV     1
 ASSI {  943}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 70   and name HB% )
      6.000     5.000     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.855 ppm2      1.208 CV     1
 ASSI {  946}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 33   and name HB% )
      6.000     5.000     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      1.125 CV     1
 ASSI {  948}
   (( segid "    " and resid 109  and name HB3 ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.626 ppm2      0.894 CV     1
 ASSI {  950}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.356 ppm2      1.715 CV     1
 ASSI {  951}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.700     1.700 peak   951 spectrum    1 weight  0.10000E+01 volume  0.37887E-02 ppm1      2.372 ppm2      1.452 CV     1
 ASSI {  952}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     5.000     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.363 ppm2      1.330 CV     1
 ASSI {  953}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      6.000     5.000     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      1.447 CV     1
 ASSI {  954}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     5.000     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      3.672 CV     1
 ASSI {  955}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 81   and name HD1%)
      3.400     1.900     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      1.841 ppm2      0.879 CV     1
 ASSI {  957}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     2.000     2.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.17509E-02 ppm1      2.208 ppm2      4.009 CV     1
 OR {  957}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  958}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.600     1.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.40593E-02 ppm1      2.070 ppm2      3.852 CV     1
 ASSI {  959}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.800     1.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.49794E-03 ppm1      2.486 ppm2      4.291 CV     1
 ASSI {  960}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     5.000     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.332 ppm2      4.296 CV     1
 ASSI {  961}
   (( segid "    " and resid 75   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
      3.500     2.100     2.100 peak   961 spectrum    1 weight  0.10000E+01 volume  0.15994E-02 ppm1      2.485 ppm2      0.953 CV     1
 ASSI {  962}
   (( segid "    " and resid 75   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
      3.000     1.600     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.41946E-02 ppm1      2.481 ppm2      0.809 CV     1
 ASSI {  963}
   (( segid "    " and resid 75   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.000     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.328 ppm2      0.953 CV     1
 ASSI {  964}
   (( segid "    " and resid 75   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.326 ppm2      0.809 CV     1
 ASSI {  966}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     5.000     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.111 ppm2      4.537 CV     1
 ASSI {  967}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     5.000     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.784 ppm2      4.690 CV     1
 ASSI {  968}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.600     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.62784E-03 ppm1      1.919 ppm2      4.687 CV     1
 ASSI {  970}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     5.000     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.622 ppm2      5.034 CV     1
 ASSI {  971}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HE2 ))
      6.000     5.000     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.564 ppm2      2.949 CV     1
 OR {  971}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  972}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      1.284 CV     1
 OR {  972}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HG2 ))
 ASSI {  973}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      1.288 CV     1
 OR {  973}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HB3 ))
 ASSI {  975}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     5.000     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.224 CV     1
 ASSI {  976}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 101  and name HA2 ))
      6.000     5.000     0.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      3.832 CV     1
 OR {  976}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 101  and name HA2 ))
 ASSI {  977}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HD3 ))
      6.000     5.000     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.934 ppm2      3.707 CV     1
 ASSI {  978}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 78   and name HG  ))
      6.000     5.000     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      1.577 CV     1
 ASSI {  980}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 27   and name HB2 ))
      4.300     2.800     1.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.50606E-03 ppm1      1.119 ppm2      3.040 CV     1
 ASSI {  981}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
      6.000     5.000     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      2.111 CV     1
 ASSI {  982}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 25   and name HB  ))
      4.300     2.800     1.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.51418E-03 ppm1      0.720 ppm2      4.186 CV     1
 ASSI {  983}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 18   and name HZ  ))
      3.500     2.100     2.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      0.720 ppm2      6.988 CV     1
 ASSI {  984}
   (  segid "    " and resid 32   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      3.300     1.900     1.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.22895E-02 ppm1      0.719 ppm2      7.264 CV     1
 ASSI {  985}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 93   and name HB2 ))
      4.100     2.600     1.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.60619E-03 ppm1      0.620 ppm2      3.189 CV     1
 ASSI {  986}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.800     1.800 peak   986 spectrum    1 weight  0.10000E+01 volume  0.24951E-02 ppm1      0.619 ppm2      4.366 CV     1
 ASSI {  988}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.800     1.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.28415E-02 ppm1      0.617 ppm2      5.382 CV     1
 ASSI {  989}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.700     1.700 peak   989 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      0.684 ppm2      3.244 CV     1
 ASSI {  990}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 34   and name HB3 ))
      3.200     1.800     1.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.30039E-02 ppm1      0.685 ppm2      2.368 CV     1
 ASSI {  992}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      6.000     5.000     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.683 ppm2      5.979 CV     1
 ASSI {  993}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.500     2.000     2.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.17130E-02 ppm1      0.683 ppm2      8.051 CV     1
 ASSI {  996}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.43840E-02 ppm1      0.706 ppm2      4.429 CV     1
 ASSI {  997}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.600     1.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.69008E-03 ppm1      0.704 ppm2      8.068 CV     1
 ASSI {  999}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.600     2.100     2.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.14126E-02 ppm1      0.791 ppm2      6.016 CV     1
 ASSI { 1001}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.000     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.477 ppm2      2.311 CV     1
 ASSI { 1002}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      1.862 CV     1
 OR { 1002}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1003}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
      5.700     4.600     0.300 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.85786E-04 ppm1      1.476 ppm2      2.121 CV     1
 ASSI { 1004}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 92   and name HA  ))
      3.100     1.700     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.32474E-02 ppm1      0.566 ppm2      3.771 CV     1
 ASSI { 1006}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      3.500     2.100     2.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.15560E-02 ppm1      0.567 ppm2      5.223 CV     1
 ASSI { 1007}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      1.617 CV     1
 ASSI { 1009}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      3.900     2.400     2.100 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.80914E-03 ppm1      1.601 ppm2      4.018 CV     1
 ASSI { 1010}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 18   and name HD% )
      3.100     1.700     1.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.33286E-02 ppm1      1.212 ppm2      7.435 CV     1
 ASSI { 1011}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 18   and name HD% )
      3.200     1.800     1.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.28415E-02 ppm1      0.995 ppm2      7.422 CV     1
 ASSI { 1012}
   (  segid "    " and resid 22   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
      3.200     1.800     1.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.28145E-02 ppm1      0.995 ppm2      2.115 CV     1
 ASSI { 1014}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      1.637 CV     1
 ASSI { 1015}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.800     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.27333E-02 ppm1      1.474 ppm2      1.850 CV     1
 ASSI { 1016}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 50   and name HG  ))
      6.000     5.000     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      1.997 CV     1
 ASSI { 1017}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.44111E-02 ppm1      0.950 ppm2      2.336 CV     1
 ASSI { 1020}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      6.000     5.000     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      4.530 CV     1
 ASSI { 1021}
   (  segid "    " and resid 108  and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
      3.400     1.900     1.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.20080E-02 ppm1      0.848 ppm2      4.665 CV     1
 ASSI { 1022}
   (  segid "    " and resid 108  and name HG2%)
   (( segid "    " and resid 95   and name HB  ))
      6.000     5.000     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.851 ppm2      1.908 CV     1
 ASSI { 1024}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      3.800     2.300     2.200 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.10825E-02 ppm1      1.147 ppm2      5.220 CV     1
 ASSI { 1026}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.700     1.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.37346E-02 ppm1      0.642 ppm2      3.252 CV     1
 ASSI { 1027}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 34   and name HB2 ))
      6.000     5.000     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.694 ppm2      3.799 CV     1
 ASSI { 1030}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 41   and name HB  ))
      6.000     5.000     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      4.350 CV     1
 ASSI { 1031}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.800     1.500     1.500 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.64408E-02 ppm1      0.980 ppm2      2.277 CV     1
 ASSI { 1032}
   (  segid "    " and resid 90   and name HG1%)
   (  segid "    " and resid 18   and name HD% )
      3.100     1.700     1.700 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.36534E-02 ppm1      0.682 ppm2      7.439 CV     1
 ASSI { 1034}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.900     2.400     2.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.82000E-03 ppm1      1.178 ppm2      3.244 CV     1
 ASSI { 1035}
   (  segid "    " and resid 68   and name HB% )
   (  segid "    " and resid 81   and name HD1%)
      1.900     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.73067E-01 ppm1      1.181 ppm2      0.885 CV     1
 ASSI { 1036}
   (  segid "    " and resid 68   and name HB% )
   (  segid "    " and resid 73   and name HD1%)
      2.200     1.100     1.100 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.27062E-01 ppm1      1.182 ppm2      0.675 CV     1
 ASSI { 1037}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.180 ppm2      1.642 CV     1
 ASSI { 1038}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 73   and name HB  ))
      3.400     1.900     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.20161E-02 ppm1      1.183 ppm2      1.901 CV     1
 ASSI { 1041}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 89   and name HB2 ))
      3.900     2.400     2.100 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.91743E-03 ppm1      0.242 ppm2      1.838 CV     1
 ASSI { 1042}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
      3.800     2.300     2.200 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10067E-02 ppm1      0.240 ppm2      4.470 CV     1
 ASSI { 1043}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 18   and name HD% )
      3.000     1.600     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.43570E-02 ppm1      0.240 ppm2      7.436 CV     1
 ASSI { 1044}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 18   and name HE% )
      3.300     1.900     1.900 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.24302E-02 ppm1      0.239 ppm2      7.255 CV     1
 ASSI { 1045}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
      3.500     2.000     2.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1      0.408 ppm2      4.199 CV     1
 ASSI { 1046}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 11   and name HB3 ))
      6.000     5.000     0.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.405 ppm2      1.711 CV     1
 ASSI { 1047}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 18   and name HD% )
      3.100     1.700     1.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.37616E-02 ppm1      0.408 ppm2      7.444 CV     1
 ASSI { 1048}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE3 ))
      3.600     2.100     2.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.13667E-02 ppm1      1.535 ppm2      2.922 CV     1
 OR { 1048}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE2 ))
 ASSI { 1050}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.500     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.59266E-02 ppm1      1.479 ppm2      4.276 CV     1
 ASSI { 1051}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE2 ))
      6.000     5.000     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.477 ppm2      2.955 CV     1
 ASSI { 1053}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      6.000     5.000     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.761 ppm2      4.932 CV     1
 ASSI { 1054}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      6.000     5.000     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.764 ppm2      3.909 CV     1
 ASSI { 1055}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 58   and name HA2 ))
      6.000     5.000     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.759 ppm2      3.641 CV     1
 ASSI { 1056}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.765 ppm2      2.362 CV     1
 ASSI { 1057}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HB3 ))
      1.800     0.900     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.78207E-01 ppm1      2.297 ppm2      1.949 CV     1
 ASSI { 1058}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.000     0.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      3.921 CV     1
 ASSI { 1059}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 64   and name HA1 ))
      6.000     5.000     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      4.335 CV     1
 ASSI { 1062}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      3.000     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.43299E-02 ppm1      3.751 ppm2      0.776 CV     1
 OR { 1062}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1063}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      3.600     2.100     2.100 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.13883E-02 ppm1      3.876 ppm2      0.767 CV     1
 OR { 1063}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1064}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     5.000     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.746 ppm2      3.879 CV     1
 ASSI { 1065}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HA1 ))
      6.000     5.000     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.870 ppm2      4.353 CV     1
 ASSI { 1066}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     5.000     0.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.789 ppm2      4.083 CV     1
 ASSI { 1067}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 104  and name HB2 ))
      2.900     1.600     1.600 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.49524E-02 ppm1      3.790 ppm2      2.593 CV     1
 ASSI { 1068}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 104  and name HB2 ))
      3.100     1.700     1.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.35452E-02 ppm1      3.872 ppm2      2.594 CV     1
 OR { 1068}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI { 1069}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 106  and name HG1%)
      2.800     1.500     1.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.62784E-02 ppm1      3.790 ppm2      0.946 CV     1
 ASSI { 1070}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      0.955 CV     1
 ASSI { 1073}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.600     1.300     1.300 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.10338E-01 ppm1      4.063 ppm2      2.594 CV     1
 OR { 1073}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI { 1074}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.064 ppm2      3.879 CV     1
 ASSI { 1076}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      6.000     5.000     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.881 ppm2      1.385 CV     1
 ASSI { 1078}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HB3 ))
      6.000     5.000     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      1.639 CV     1
 ASSI { 1079}
   (  segid "    " and resid 55   and name HD1%)
   (  segid "    " and resid 55   and name HD2%)
      6.000     5.000     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      0.789 CV     1
 ASSI { 1080}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 102  and name HG2%)
      6.000     5.000     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.672 ppm2      1.157 CV     1
 ASSI { 1082}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      6.000     5.000     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.058 ppm2      4.332 CV     1
 ASSI { 1083}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.000     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.060 ppm2      3.937 CV     1
 ASSI { 1085}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      6.000     5.000     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      4.135 CV     1
 ASSI { 1088}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
      6.000     5.000     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      1.321 CV     1
 ASSI { 1091}
   (( segid "    " and resid 88   and name HA1 ))
   (( segid "    " and resid 89   and name HD2 ))
      3.200     1.800     1.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.28145E-02 ppm1      5.033 ppm2      3.650 CV     1
 ASSI { 1093}
   (( segid "    " and resid 88   and name HA2 ))
   (( segid "    " and resid 88   and name HA1 ))
      2.900     1.500     1.500 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.56830E-02 ppm1      3.947 ppm2      5.033 CV     1
 ASSI { 1094}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      3.800     2.300     2.200 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.10960E-02 ppm1      0.408 ppm2      7.261 CV     1
 ASSI { 1095}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.300     1.800     1.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.25195E-02 ppm1      4.428 ppm2      7.441 CV     1
 ASSI { 1096}
   (( segid "    " and resid 115  and name HB  ))
   (  segid "    " and resid 115  and name HG2%)
      6.000     5.000     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.168 CV     1
 ASSI { 1097}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     5.000     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.905 ppm2      1.442 CV     1
 ASSI { 1098}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     5.000     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.302 ppm2      4.703 CV     1
 ASSI { 1102}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HG  ))
      6.000     5.000     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.302 ppm2      1.453 CV     1
 ASSI { 1103}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 115  and name HG2%)
      6.000     5.000     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.180 CV     1
 ASSI { 1105}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.788 ppm2      3.884 CV     1
 ASSI { 1107}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 33   and name HB% )
      3.700     2.200     2.200 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.12313E-02 ppm1      5.190 ppm2      1.132 CV     1
 ASSI { 1108}
   (( segid "    " and resid 108  and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      4.900     3.500     1.100 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.22705E-03 ppm1      2.093 ppm2      4.663 CV     1
 ASSI { 1109}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      3.200     1.800     1.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27333E-02 ppm1      5.058 ppm2      3.777 CV     1
 ASSI { 1110}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HD3 ))
      3.100     1.700     1.700 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      5.058 ppm2      1.555 CV     1
 ASSI { 1112}
   (( segid "    " and resid 88   and name HA1 ))
   (( segid "    " and resid 89   and name HD3 ))
      6.000     5.000     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.032 ppm2      3.570 CV     1
 ASSI { 1113}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 40   and name HG2 ))
      6.000     5.000     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.348 ppm2      2.260 CV     1
 ASSI { 1114}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      2.681 CV     1
 ASSI { 1115}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.700     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.37346E-02 ppm1      4.542 ppm2      3.874 CV     1
 ASSI { 1116}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 17   and name HB% )
      5.200     3.800     0.800 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.16210E-03 ppm1      4.430 ppm2      0.955 CV     1
 ASSI { 1117}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.772 ppm2      4.185 CV     1
 ASSI { 1118}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 89   and name HD3 ))
      6.000     5.000     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.807 ppm2      3.569 CV     1
 ASSI { 1119}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 89   and name HD2 ))
      6.000     5.000     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.806 ppm2      3.647 CV     1
 ASSI { 1120}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      0.900 CV     1
 ASSI { 1121}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      1.887 CV     1
 ASSI { 1122}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     5.000     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      0.903 CV     1
 ASSI { 1123}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.188 ppm2      0.959 CV     1
 ASSI { 1124}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.065 ppm2      1.308 CV     1
 ASSI { 1125}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HG12))
      6.000     5.000     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.064 ppm2      1.388 CV     1
 ASSI { 1126}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 68   and name HB% )
      6.000     5.000     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.619 ppm2      1.178 CV     1
 ASSI { 1127}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 77   and name HA2 ))
      6.000     5.000     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.644 ppm2      3.933 CV     1
 OR { 1127}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 77   and name HA1 ))
 ASSI { 1128}
   (  segid "    " and resid 82   and name HG1%)
   (( segid "    " and resid 92   and name HA  ))
      6.000     5.000     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.727 ppm2      3.777 CV     1
 ASSI { 1129}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 18   and name HE% )
      2.500     1.300     1.300 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.13098E-01 ppm1      1.208 ppm2      7.259 CV     1
 ASSI { 1130}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 18   and name HZ  ))
      6.000     5.000     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      6.972 CV     1
 ASSI { 1131}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      6.000     5.000     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.243 ppm2      1.205 CV     1
 ASSI { 1132}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      6.000     5.000     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.243 ppm2      1.279 CV     1
 ASSI { 1133}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.001 ppm2      2.765 CV     1
 OR { 1133}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1134}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 30   and name HA2 ))
      6.000     5.000     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      4.111 CV     1
 OR { 1134}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 30   and name HA1 ))
 ASSI { 1135}
   (  segid "    " and resid 96   and name HB% )
   (( segid "    " and resid 97   and name HB2 ))
      6.000     5.000     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.110 ppm2      3.021 CV     1
 ASSI { 1136}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 84   and name HE1 ))
      6.000     5.000     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.565 ppm2      8.323 CV     1
 ASSI { 1137}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 75   and name HB3 ))
      6.000     5.000     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      2.067 CV     1
 ASSI { 1138}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.800     1.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.27333E-02 ppm1      1.183 ppm2      1.862 CV     1
 ASSI { 1139}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.000     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      4.384 CV     1
 ASSI { 1140}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     5.000     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.911 ppm2      4.006 CV     1
 OR { 1140}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1141}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 106  and name HG1%)
      4.800     3.400     1.200 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.25384E-03 ppm1      5.062 ppm2      0.959 CV     1
 ASSI { 1142}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.060 ppm2      2.771 CV     1
 ASSI { 1143}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     5.000     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.721 ppm2      1.408 CV     1
 ASSI { 1144}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 98   and name HB3 ))
      6.000     5.000     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      2.777 CV     1
 ASSI { 1145}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 78   and name HB3 ))
      6.000     5.000     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      1.277 CV     1
 ASSI { 1146}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HD2 ))
      6.000     5.000     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.837 ppm2      1.931 CV     1
 ASSI { 1147}
   (( segid "    " and resid 75   and name HG2 ))
   (  segid "    " and resid 53   and name HB% )
      6.000     5.000     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.480 ppm2      1.482 CV     1
 ASSI { 1149}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     5.000     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.493 ppm2      4.005 CV     1
 OR { 1149}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1151}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.000     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      4.031 CV     1
 ASSI { 1152}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.000     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.277 ppm2      4.031 CV     1
 ASSI { 1155}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.191 ppm2      2.772 CV     1
 ASSI { 1156}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      4.003 CV     1
 OR { 1156}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
 ASSI { 1157}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 84   and name HD2 ))
      6.000     5.000     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.564 ppm2      7.449 CV     1
 ASSI { 1158}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 69   and name HG2 ))
      6.000     5.000     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.118 ppm2      1.595 CV     1
 ASSI { 1159}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 69   and name HB3 ))
      6.000     5.000     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.118 ppm2      1.672 CV     1
 ASSI { 1160}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      6.000     5.000     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.406 ppm2      1.863 CV     1
 ASSI { 1162}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      0.898 CV     1
 ASSI { 1163}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
      6.000     5.000     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.311 ppm2      4.378 CV     1
 ASSI { 1164}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
      6.000     5.000     0.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      2.787 CV     1
 ASSI { 1165}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      6.000     5.000     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      4.097 CV     1
 ASSI { 1166}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 99   and name HB3 ))
      6.000     5.000     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.067 ppm2      1.957 CV     1
 ASSI { 1168}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     5.000     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.890 ppm2      1.952 CV     1
 ASSI { 1169}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
      6.000     5.000     0.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.655 ppm2      1.673 CV     1
 ASSI { 1170}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     5.000     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.655 ppm2      1.551 CV     1
 OR { 1170}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1171}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
      6.000     5.000     0.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.656 ppm2      0.908 CV     1
 ASSI { 1172}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
      6.000     5.000     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.656 ppm2      0.908 CV     1
 ASSI { 1174}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     5.000     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      1.548 CV     1
 OR { 1174}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1175}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
      6.000     5.000     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      0.909 CV     1
 ASSI { 1178}
   (( segid "    " and resid 2    and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
      6.000     5.000     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.908 CV     1
 OR { 1178}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 1179}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
      6.000     5.000     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.908 CV     1
 OR { 1179}
   (( segid "    " and resid 2    and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 ASSI { 1182}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HG  ))
      6.000     5.000     0.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.917 ppm2      1.674 CV     1
 ASSI { 1186}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     5.000     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      2.297 CV     1
 ASSI { 1187}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     5.000     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.912 CV     1
 ASSI { 1188}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HD2 ))
      6.000     5.000     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.855 CV     1
 ASSI { 1189}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     5.000     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.613 CV     1
 ASSI { 1190}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     5.000     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      2.017 CV     1
 OR { 1190}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG3 ))
 ASSI { 1192}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     5.000     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      1.914 CV     1
 ASSI { 1193}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HD2 ))
      6.000     5.000     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.297 ppm2      3.855 CV     1
 ASSI { 1194}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     5.000     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      3.613 CV     1
 ASSI { 1195}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     5.000     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.295 ppm2      2.016 CV     1
 OR { 1195}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG3 ))
 ASSI { 1198}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HD2 ))
      6.000     5.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      3.855 CV     1
 ASSI { 1199}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     5.000     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      3.613 CV     1
 ASSI { 1200}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     5.000     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.908 ppm2      2.015 CV     1
 OR { 1200}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI { 1203}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     5.000     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.853 ppm2      3.613 CV     1
 ASSI { 1204}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     5.000     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      2.016 CV     1
 OR { 1204}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HG3 ))
 ASSI { 1207}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     5.000     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.610 ppm2      2.016 CV     1
 OR { 1207}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI { 1213}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     1.100     1.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.26981E-01 ppm1      3.851 ppm2      4.659 CV     1
 ASSI { 1214}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     1.200     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.18889E-01 ppm1      3.607 ppm2      4.659 CV     1
 ASSI { 1215}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 2    and name HB3 ))
      2.800     1.500     1.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.67384E-02 ppm1      3.608 ppm2      1.560 CV     1
 OR { 1215}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1216}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HB3 ))
      3.100     1.700     1.700 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.31663E-02 ppm1      3.850 ppm2      1.565 CV     1
 OR { 1216}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1217}
   (( segid "    " and resid 3    and name HD3 ))
   (  segid "    " and resid 2    and name HD1%)
      3.000     1.600     1.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.43840E-02 ppm1      3.607 ppm2      0.902 CV     1
 ASSI { 1218}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 2    and name HD1%)
      3.100     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.35722E-02 ppm1      3.846 ppm2      0.905 CV     1
 ASSI { 1219}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 7    and name HB% )
      6.000     5.000     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      1.368 CV     1
 ASSI { 1220}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB  ))
      6.000     5.000     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.629 ppm2      4.187 CV     1
 ASSI { 1222}
   (( segid "    " and resid 25   and name HB  ))
   (  segid "    " and resid 25   and name HG2%)
      6.000     5.000     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      1.129 CV     1
 ASSI { 1223}
   (( segid "    " and resid 25   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      6.000     5.000     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      0.893 CV     1
 ASSI { 1224}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     5.000     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      2.102 CV     1
 ASSI { 1225}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     5.000     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.191 ppm2      2.802 CV     1
 ASSI { 1226}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.584 ppm2      2.815 CV     1
 ASSI {    1}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      6.000     5.000     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.713 ppm2      4.423 CV     1
 ASSI {    2}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     5.000     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.481 ppm2      4.759 CV     1
 ASSI {    3}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     5.000     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.479 ppm2      3.036 CV     1
 ASSI {    4}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      4.100     2.600     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.35692E-03 ppm1      8.483 ppm2      2.786 CV     1
 ASSI {    5}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     1.400     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.42779E-02 ppm1      9.174 ppm2      4.728 CV     1
 ASSI {    6}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      3.100     1.700     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.18594E-02 ppm1      9.174 ppm2      1.912 CV     1
 ASSI {    7}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG12))
      3.300     1.800     1.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.13588E-02 ppm1      9.173 ppm2      1.626 CV     1
 ASSI {    8}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      2.900     1.600     1.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.25681E-02 ppm1      9.172 ppm2      0.728 CV     1
 ASSI {    9}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.500     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.70865E-02 ppm1      9.173 ppm2      0.998 CV     1
 ASSI {   10}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     2.100     2.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.70215E-03 ppm1      7.931 ppm2      9.170 CV     1
 ASSI {   11}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     2.100     2.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      9.177 ppm2      5.016 CV     1
 ASSI {   12}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.600     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.23145E-02 ppm1      7.933 ppm2      5.016 CV     1
 ASSI {   13}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      6.000     5.000     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.173 ppm2      1.130 CV     1
 ASSI {   14}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.500     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.61243E-02 ppm1      7.933 ppm2      1.137 CV     1
 ASSI {   16}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     2.400     2.100 peak    16 spectrum    1 weight  0.10000E+01 volume  0.48240E-03 ppm1      9.435 ppm2      7.917 CV     1
 ASSI {   17}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.800     1.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.15538E-02 ppm1      7.934 ppm2      5.973 CV     1
 ASSI {   18}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.900     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      7.932 ppm2      3.806 CV     1
 ASSI {   19}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.900     2.400     2.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.42779E-03 ppm1      7.928 ppm2      2.379 CV     1
 ASSI {   21}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.23925E-02 ppm1      9.432 ppm2      6.003 CV     1
 ASSI {   22}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.900     1.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.11963E-02 ppm1      9.438 ppm2      2.929 CV     1
 ASSI {   23}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.400     1.900     1.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      9.434 ppm2      2.607 CV     1
 ASSI {   24}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     5.000     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.360 ppm2      5.388 CV     1
 ASSI {   25}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.34717E-02 ppm1      8.913 ppm2      5.377 CV     1
 ASSI {   26}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     5.000     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.355 ppm2      2.738 CV     1
 ASSI {   27}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      8.916 ppm2      2.740 CV     1
 ASSI {   28}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.600     2.100     2.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      8.355 ppm2      2.517 CV     1
 ASSI {   29}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.800     2.300     2.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.55132E-03 ppm1      8.915 ppm2      2.535 CV     1
 ASSI {   30}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.800     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.13653E-02 ppm1      8.912 ppm2      4.373 CV     1
 ASSI {   31}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.500     2.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.40438E-03 ppm1      8.913 ppm2      4.242 CV     1
 ASSI {   32}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.300     1.900     1.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      8.914 ppm2      3.898 CV     1
 ASSI {   33}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.800     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      8.659 ppm2      3.815 CV     1
 ASSI {   34}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      2.600     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.56757E-02 ppm1      8.658 ppm2      1.211 CV     1
 ASSI {   35}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.34132E-02 ppm1      7.010 ppm2      8.640 CV     1
 ASSI {   36}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.52336E-02 ppm1      8.659 ppm2      4.177 CV     1
 ASSI {   37}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.900     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1      7.007 ppm2      4.157 CV     1
 ASSI {   38}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.400     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.82565E-02 ppm1      8.659 ppm2      3.919 CV     1
 OR {   38}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {   39}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     5.000     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.005 ppm2      3.925 CV     1
 OR {   39}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {   42}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.28541E-02 ppm1      7.004 ppm2      4.292 CV     1
 ASSI {   43}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.23730E-02 ppm1      8.069 ppm2      4.286 CV     1
 ASSI {   44}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.41544E-02 ppm1      7.008 ppm2      1.862 CV     1
 ASSI {   45}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.072 ppm2      1.865 CV     1
 ASSI {   46}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.400     1.200     1.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.76065E-02 ppm1      7.008 ppm2      1.636 CV     1
 ASSI {   47}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.070 ppm2      1.637 CV     1
 ASSI {   48}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.000     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.072 ppm2      1.907 CV     1
 ASSI {   49}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG12))
      6.000     5.000     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.067 ppm2      1.733 CV     1
 ASSI {   50}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG13))
      6.000     5.000     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.067 ppm2      0.803 CV     1
 ASSI {   54}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      8.103 ppm2      4.450 CV     1
 ASSI {   55}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.000     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.938 ppm2      4.449 CV     1
 ASSI {   56}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.96868E-03 ppm1      8.105 ppm2      2.713 CV     1
 ASSI {   57}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.600     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.24705E-02 ppm1      7.937 ppm2      2.727 CV     1
 ASSI {   58}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.900     1.500     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.28801E-02 ppm1      8.105 ppm2      2.549 CV     1
 ASSI {   59}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      6.000     5.000     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      2.543 CV     1
 ASSI {   61}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.62608E-02 ppm1      7.935 ppm2      4.083 CV     1
 ASSI {   62}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.800     1.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.25876E-03 ppm1      8.349 ppm2      4.094 CV     1
 ASSI {   63}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     5.000     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      2.283 CV     1
 ASSI {   64}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.200     1.700     1.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.16384E-02 ppm1      8.348 ppm2      2.288 CV     1
 ASSI {   65}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.600     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.55326E-02 ppm1      7.935 ppm2      2.070 CV     1
 ASSI {   66}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      3.300     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.13068E-02 ppm1      8.348 ppm2      2.067 CV     1
 ASSI {   67}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     1.300     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.68914E-02 ppm1      7.792 ppm2      8.333 CV     1
 ASSI {   68}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.900     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11117E-02 ppm1      7.590 ppm2      8.337 CV     1
 ASSI {   69}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     1.400     1.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.37383E-02 ppm1      8.349 ppm2      4.380 CV     1
 ASSI {   70}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.35953E-02 ppm1      7.793 ppm2      4.387 CV     1
 ASSI {   71}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.347 ppm2      1.645 CV     1
 ASSI {   72}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      6.000     5.000     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.788 ppm2      1.645 CV     1
 ASSI {   73}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      6.000     5.000     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.344 ppm2      1.535 CV     1
 ASSI {   74}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      6.000     5.000     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.787 ppm2      1.526 CV     1
 ASSI {   75}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.349 ppm2      0.808 CV     1
 ASSI {   76}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      6.000     5.000     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.349 ppm2      0.787 CV     1
 ASSI {   78}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.35173E-02 ppm1      7.586 ppm2      7.775 CV     1
 ASSI {   79}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.200     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.15993E-01 ppm1      7.790 ppm2      3.938 CV     1
 OR {   79}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
 ASSI {   80}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.800     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.33157E-02 ppm1      7.587 ppm2      3.936 CV     1
 ASSI {   82}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.000     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.033 ppm2      7.579 CV     1
 ASSI {   83}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     6.000     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.12093E-04 ppm1      7.586 ppm2      4.561 CV     1
 ASSI {   84}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.50191E-02 ppm1      8.034 ppm2      4.568 CV     1
 ASSI {   85}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.20999E-02 ppm1      7.587 ppm2      1.843 CV     1
 ASSI {   86}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.300     1.900     1.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      7.589 ppm2      1.276 CV     1
 ASSI {   87}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.400     2.000     2.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      8.033 ppm2      1.280 CV     1
 ASSI {   88}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.600     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.55651E-02 ppm1      7.587 ppm2      1.570 CV     1
 ASSI {   89}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.900     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.28541E-02 ppm1      7.587 ppm2      0.622 CV     1
 ASSI {   90}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      3.000     1.600     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.24445E-02 ppm1      7.587 ppm2      0.643 CV     1
 ASSI {   91}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.65664E-02 ppm1      8.880 ppm2      8.031 CV     1
 ASSI {   92}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     1.400     1.400 peak    92 spectrum    1 weight  0.10000E+01 volume  0.50516E-02 ppm1      8.035 ppm2      3.871 CV     1
 ASSI {   93}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.200     2.700     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.28411E-03 ppm1      8.879 ppm2      3.864 CV     1
 ASSI {   94}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     1.300     1.300 peak    94 spectrum    1 weight  0.10000E+01 volume  0.62478E-02 ppm1      8.039 ppm2      1.737 CV     1
 ASSI {   95}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.800     2.300     2.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.56237E-03 ppm1      8.880 ppm2      1.745 CV     1
 ASSI {   96}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      6.000     5.000     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.035 ppm2      1.619 CV     1
 ASSI {   97}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.600     2.100     2.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.70865E-03 ppm1      8.880 ppm2      1.627 CV     1
 ASSI {   98}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      6.000     5.000     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.880 ppm2      0.808 CV     1
 ASSI {  100}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.31207E-02 ppm1      7.488 ppm2      8.865 CV     1
 ASSI {  101}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     1.400     1.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.43429E-02 ppm1      8.880 ppm2      4.220 CV     1
 ASSI {  102}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.700     2.200     2.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.58967E-03 ppm1      7.487 ppm2      4.221 CV     1
 ASSI {  103}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HB% )
      2.200     1.100     1.100 peak   103 spectrum    1 weight  0.10000E+01 volume  0.13263E-01 ppm1      8.881 ppm2      1.390 CV     1
 ASSI {  106}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     2.000     2.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.89066E-03 ppm1      7.490 ppm2      4.426 CV     1
 ASSI {  107}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     1.800     1.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.14108E-02 ppm1      7.809 ppm2      4.426 CV     1
 ASSI {  108}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.100     1.700     1.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.16643E-02 ppm1      7.487 ppm2      1.853 CV     1
 ASSI {  109}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.300     1.800     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13588E-02 ppm1      7.489 ppm2      1.529 CV     1
 ASSI {  110}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG  ))
      6.000     5.000     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      1.414 CV     1
 ASSI {  111}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      6.000     5.000     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2      0.899 CV     1
 ASSI {  112}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
      6.000     5.000     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      0.699 CV     1
 ASSI {  113}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.38163E-02 ppm1      7.489 ppm2      7.799 CV     1
 ASSI {  114}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.500     1.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.27631E-02 ppm1      7.808 ppm2      5.075 CV     1
 ASSI {  115}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      6.000     5.000     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.808 ppm2      2.086 CV     1
 ASSI {  116}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      6.000     5.000     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.714 ppm2      2.084 CV     1
 ASSI {  117}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HG1%)
      6.000     5.000     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.808 ppm2      0.731 CV     1
 ASSI {  118}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      6.000     5.000     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.808 ppm2      0.781 CV     1
 ASSI {  119}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      2.800     1.500     1.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.35823E-02 ppm1      8.716 ppm2      0.781 CV     1
 ASSI {  120}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.600     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.24900E-02 ppm1      7.806 ppm2      8.716 CV     1
 ASSI {  121}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.200     1.100     1.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.13523E-01 ppm1      8.859 ppm2      5.053 CV     1
 ASSI {  122}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.500     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.34782E-02 ppm1      8.717 ppm2      2.464 CV     1
 ASSI {  123}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.500     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.35692E-02 ppm1      8.859 ppm2      2.458 CV     1
 ASSI {  124}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      6.000     5.000     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.711 ppm2      2.144 CV     1
 ASSI {  125}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.500     2.000     2.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.95574E-03 ppm1      7.229 ppm2      8.850 CV     1
 ASSI {  126}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.37512E-02 ppm1      8.860 ppm2      4.598 CV     1
 ASSI {  128}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.58252E-02 ppm1      7.229 ppm2      4.599 CV     1
 ASSI {  129}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     5.000     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.856 ppm2      3.086 CV     1
 ASSI {  130}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.600     2.100     2.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.78013E-03 ppm1      7.227 ppm2      3.097 CV     1
 ASSI {  131}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB3 ))
      6.000     5.000     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.858 ppm2      3.194 CV     1
 ASSI {  132}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB3 ))
      3.400     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.97522E-03 ppm1      7.227 ppm2      3.199 CV     1
 ASSI {  134}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.700     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.19309E-02 ppm1      7.229 ppm2      4.863 CV     1
 ASSI {  135}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.35432E-02 ppm1      9.235 ppm2      4.852 CV     1
 ASSI {  136}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      4.000     2.500     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.38098E-03 ppm1      7.228 ppm2      4.455 CV     1
 ASSI {  137}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      2.700     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.43559E-02 ppm1      9.234 ppm2      4.454 CV     1
 ASSI {  138}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      3.400     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      8.860 ppm2      1.166 CV     1
 ASSI {  139}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      2.800     1.500     1.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.32116E-02 ppm1      7.227 ppm2      1.162 CV     1
 ASSI {  140}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      2.900     1.600     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.26590E-02 ppm1      9.234 ppm2      1.153 CV     1
 ASSI {  141}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      3.300     1.900     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12418E-02 ppm1      7.891 ppm2      1.162 CV     1
 ASSI {  142}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.900     2.400     2.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.47135E-03 ppm1      7.224 ppm2      9.222 CV     1
 ASSI {  143}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.600     1.400     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.49996E-02 ppm1      7.896 ppm2      9.222 CV     1
 ASSI {  144}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.500     1.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.31402E-02 ppm1      9.234 ppm2      4.108 CV     1
 ASSI {  145}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.700     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.18854E-02 ppm1      7.891 ppm2      4.107 CV     1
 ASSI {  146}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      6.000     5.000     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.234 ppm2      2.158 CV     1
 ASSI {  147}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      6.000     5.000     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.891 ppm2      2.150 CV     1
 ASSI {  148}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      6.000     5.000     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.236 ppm2      2.080 CV     1
 ASSI {  149}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      6.000     5.000     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.891 ppm2      2.087 CV     1
 ASSI {  151}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.600     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.56887E-02 ppm1      7.390 ppm2      7.877 CV     1
 ASSI {  152}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     5.000     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.890 ppm2      4.545 CV     1
 ASSI {  153}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.900     1.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.29451E-02 ppm1      7.387 ppm2      4.535 CV     1
 ASSI {  154}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     5.000     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.894 ppm2      2.349 CV     1
 ASSI {  155}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.600     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.55521E-02 ppm1      7.893 ppm2      1.708 CV     1
 ASSI {  156}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.000     1.700     1.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.20609E-02 ppm1      7.388 ppm2      1.703 CV     1
 ASSI {  158}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA2 ))
      3.000     1.600     1.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      7.391 ppm2      3.949 CV     1
 ASSI {  159}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.800     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.36537E-02 ppm1      8.224 ppm2      5.207 CV     1
 ASSI {  160}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      4.000     2.500     2.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.39594E-03 ppm1      8.218 ppm2      4.441 CV     1
 ASSI {  161}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.100     1.700     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.18334E-02 ppm1      9.694 ppm2      4.442 CV     1
 ASSI {  162}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      6.000     5.000     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.223 ppm2      2.213 CV     1
 ASSI {  163}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      6.000     5.000     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.225 ppm2      0.701 CV     1
 ASSI {  164}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      3.300     1.900     1.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      9.694 ppm2      0.694 CV     1
 ASSI {  165}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      2.800     1.500     1.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.32312E-02 ppm1      8.221 ppm2      0.564 CV     1
 ASSI {  166}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.100     1.700     1.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.16709E-02 ppm1      9.696 ppm2      0.572 CV     1
 ASSI {  167}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16188E-02 ppm1      9.693 ppm2      4.957 CV     1
 ASSI {  168}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     1.700     1.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.16253E-02 ppm1      8.768 ppm2      4.962 CV     1
 ASSI {  169}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.400     1.900     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.10857E-02 ppm1      9.697 ppm2      3.171 CV     1
 ASSI {  170}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.100     1.700     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      9.696 ppm2      2.475 CV     1
 ASSI {  171}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.300     1.800     1.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.13523E-02 ppm1      9.188 ppm2      8.764 CV     1
 ASSI {  172}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.600     2.100     2.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.77366E-03 ppm1      9.194 ppm2      3.777 CV     1
 ASSI {  173}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.800     1.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.14823E-02 ppm1      7.590 ppm2      9.182 CV     1
 ASSI {  174}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.32312E-02 ppm1      9.193 ppm2      5.085 CV     1
 ASSI {  175}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.500     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.87117E-03 ppm1      7.587 ppm2      5.075 CV     1
 ASSI {  176}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.500     2.100     2.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.82565E-03 ppm1      9.191 ppm2      3.172 CV     1
 ASSI {  177}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.700     1.400     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.38813E-02 ppm1      7.587 ppm2      3.176 CV     1
 ASSI {  178}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      3.100     1.700     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.19634E-02 ppm1      9.194 ppm2      2.977 CV     1
 ASSI {  179}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      2.700     1.400     1.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.40503E-02 ppm1      7.588 ppm2      2.982 CV     1
 ASSI {  181}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     5.000     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.595 ppm2      4.191 CV     1
 ASSI {  182}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.400     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.78013E-02 ppm1      8.409 ppm2      4.198 CV     1
 ASSI {  183}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.500     2.000     2.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.95574E-03 ppm1      8.410 ppm2      4.863 CV     1
 ASSI {  184}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.700     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.44859E-02 ppm1      8.408 ppm2      1.912 CV     1
 ASSI {  185}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.700     2.200     2.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.59488E-03 ppm1      9.277 ppm2      1.909 CV     1
 ASSI {  186}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.406 ppm2      0.933 CV     1
 ASSI {  187}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     2.000     2.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.89720E-03 ppm1      9.278 ppm2      5.100 CV     1
 ASSI {  188}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.800     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.36993E-02 ppm1      9.050 ppm2      5.098 CV     1
 ASSI {  189}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      3.400     1.900     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10857E-02 ppm1      9.282 ppm2      1.107 CV     1
 ASSI {  190}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      2.700     1.400     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.42064E-02 ppm1      9.049 ppm2      1.106 CV     1
 ASSI {  191}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.300     1.900     1.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      9.050 ppm2      3.023 CV     1
 ASSI {  192}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      3.200     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.13848E-02 ppm1      9.048 ppm2      2.676 CV     1
 ASSI {  193}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.000     1.600     1.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.23730E-02 ppm1      9.134 ppm2      5.186 CV     1
 ASSI {  194}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.200     2.700     1.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.28541E-03 ppm1      9.131 ppm2      3.125 CV     1
 ASSI {  195}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      4.300     2.800     1.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.25551E-03 ppm1      9.132 ppm2      2.789 CV     1
 ASSI {  196}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.300     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10727E-01 ppm1      8.569 ppm2      4.492 CV     1
 ASSI {  197}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
      6.000     5.000     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.567 ppm2      1.956 CV     1
 ASSI {  198}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.300     1.900     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12027E-02 ppm1      8.784 ppm2      8.562 CV     1
 ASSI {  199}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.700     1.400     1.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.40503E-02 ppm1      8.567 ppm2      4.165 CV     1
 ASSI {  200}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      2.100     1.100     1.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.18464E-01 ppm1      8.784 ppm2      4.163 CV     1
 ASSI {  201}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
      6.000     5.000     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.569 ppm2      1.962 CV     1
 ASSI {  202}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.600     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.57927E-02 ppm1      8.784 ppm2      1.977 CV     1
 OR {  202}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  204}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      2.700     1.400     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.42844E-02 ppm1      7.695 ppm2      4.162 CV     1
 ASSI {  205}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA2 ))
      2.500     1.300     1.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.71515E-02 ppm1      8.784 ppm2      3.829 CV     1
 ASSI {  206}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA2 ))
      2.800     1.500     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.31986E-02 ppm1      7.693 ppm2      3.831 CV     1
 ASSI {  207}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     1.400     1.400 peak   207 spectrum    1 weight  0.10000E+01 volume  0.38813E-02 ppm1      8.784 ppm2      7.680 CV     1
 ASSI {  209}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.695 ppm2      4.337 CV     1
 ASSI {  210}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      6.000     5.000     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.107 ppm2      4.318 CV     1
 ASSI {  211}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 102  and name HG2%)
      2.800     1.500     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.36603E-02 ppm1      7.693 ppm2      1.160 CV     1
 ASSI {  212}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     5.000     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.944 ppm2      8.122 CV     1
 ASSI {  213}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.108 ppm2      4.342 CV     1
 ASSI {  214}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.944 ppm2      4.332 CV     1
 ASSI {  215}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      6.000     5.000     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.107 ppm2      4.195 CV     1
 ASSI {  216}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      6.000     5.000     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.940 ppm2      4.191 CV     1
 ASSI {  217}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      2.800     1.500     1.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.34523E-02 ppm1      8.105 ppm2      1.184 CV     1
 ASSI {  218}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.200     1.700     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.16448E-02 ppm1      8.620 ppm2      7.933 CV     1
 ASSI {  219}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.100     1.700     1.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.18464E-02 ppm1      7.943 ppm2      4.893 CV     1
 ASSI {  220}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     1.300     1.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.52141E-02 ppm1      8.622 ppm2      4.876 CV     1
 ASSI {  221}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.400     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.81918E-02 ppm1      7.944 ppm2      2.600 CV     1
 OR {  221}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     5.000     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.620 ppm2      2.609 CV     1
 ASSI {  224}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     5.000     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.714 ppm2      8.613 CV     1
 ASSI {  225}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.500     2.000     2.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.88419E-03 ppm1      8.623 ppm2      5.083 CV     1
 ASSI {  226}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.500     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.60983E-02 ppm1      8.712 ppm2      5.074 CV     1
 ASSI {  227}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.900     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.28996E-02 ppm1      8.622 ppm2      3.351 CV     1
 ASSI {  228}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      3.000     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.23470E-02 ppm1      8.716 ppm2      3.348 CV     1
 ASSI {  229}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      6.000     5.000     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      2.509 CV     1
 ASSI {  230}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      3.200     1.800     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.15798E-02 ppm1      8.713 ppm2      2.505 CV     1
 ASSI {  231}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.100     2.600     1.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.36082E-03 ppm1      8.886 ppm2      8.703 CV     1
 ASSI {  232}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.200     1.800     1.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.15734E-02 ppm1      8.711 ppm2      4.544 CV     1
 ASSI {  233}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.300     1.200     1.200 peak   233 spectrum    1 weight  0.10000E+01 volume  0.11313E-01 ppm1      8.887 ppm2      4.547 CV     1
 ASSI {  234}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      2.600     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.52011E-02 ppm1      8.716 ppm2      2.006 CV     1
 ASSI {  235}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      2.800     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.35042E-02 ppm1      8.887 ppm2      2.014 CV     1
 ASSI {  236}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.714 ppm2      0.954 CV     1
 ASSI {  237}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      5.400     4.200     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.64234E-04 ppm1      8.490 ppm2      8.889 CV     1
 ASSI {  238}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.600     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.23860E-02 ppm1      8.888 ppm2      4.258 CV     1
 ASSI {  239}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.000     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.487 ppm2      4.279 CV     1
 ASSI {  240}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      2.300     1.200     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.11182E-01 ppm1      8.887 ppm2      1.411 CV     1
 ASSI {  241}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      2.600     1.300     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.55976E-02 ppm1      8.490 ppm2      1.411 CV     1
 ASSI {  242}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      6.000     5.000     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.489 ppm2      4.169 CV     1
 ASSI {  243}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.000     1.000     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.22494E-01 ppm1      8.401 ppm2      4.174 CV     1
 ASSI {  244}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      2.900     1.600     1.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.26201E-02 ppm1      8.490 ppm2      2.096 CV     1
 ASSI {  245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     5.000     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      2.098 CV     1
 ASSI {  246}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.491 ppm2      0.901 CV     1
 ASSI {  247}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     5.000     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.489 ppm2      0.854 CV     1
 ASSI {  248}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.400     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.88419E-02 ppm1      8.401 ppm2      4.673 CV     1
 ASSI {  249}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.000     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.402 ppm2      2.698 CV     1
 ASSI {  250}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.000     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.444 ppm2      2.701 CV     1
 ASSI {  252}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.200     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.15993E-01 ppm1      8.361 ppm2      4.693 CV     1
 ASSI {  253}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     5.000     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.446 ppm2      2.853 CV     1
 ASSI {  254}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     5.000     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.357 ppm2      2.861 CV     1
 ASSI {  255}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      6.000     5.000     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.446 ppm2      2.767 CV     1
 ASSI {  256}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      6.000     5.000     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.354 ppm2      2.774 CV     1
 ASSI {  257}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.300     1.200     1.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.10792E-01 ppm1      8.393 ppm2      4.288 CV     1
 ASSI {  258}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HB% )
      6.000     5.000     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      1.422 CV     1
 ASSI {  259}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 111  and name HB% )
      2.400     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.78668E-02 ppm1      8.391 ppm2      1.414 CV     1
 ASSI {  260}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.400     1.200     1.200 peak   260 spectrum    1 weight  0.10000E+01 volume  0.87117E-02 ppm1      8.127 ppm2      8.393 CV     1
 ASSI {  261}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA1 ))
      6.000     5.000     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      3.941 CV     1
 OR {  261}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA2 ))
 ASSI {  262}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA1 ))
      2.100     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.17098E-01 ppm1      8.126 ppm2      3.944 CV     1
 OR {  262}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA2 ))
 ASSI {  263}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.300     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.98824E-02 ppm1      8.126 ppm2      4.319 CV     1
 ASSI {  264}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.300     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.12158E-01 ppm1      8.424 ppm2      4.321 CV     1
 ASSI {  265}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HB% )
      2.200     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.12547E-01 ppm1      8.126 ppm2      1.409 CV     1
 ASSI {  266}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 113  and name HB% )
      2.800     1.500     1.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.33287E-02 ppm1      8.423 ppm2      1.411 CV     1
 ASSI {  267}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     5.000     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.030 ppm2      8.416 CV     1
 ASSI {  268}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA1 ))
      2.200     1.100     1.100 peak   268 spectrum    1 weight  0.10000E+01 volume  0.15993E-01 ppm1      8.424 ppm2      3.986 CV     1
 OR {  268}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA2 ))
 ASSI {  269}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA2 ))
      2.200     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.16059E-01 ppm1      8.029 ppm2      3.982 CV     1
 OR {  269}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA1 ))
 ASSI {  270}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.500     1.300     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.59227E-02 ppm1      8.029 ppm2      4.315 CV     1
 ASSI {  271}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      6.000     5.000     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      4.323 CV     1
 ASSI {  272}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB  ))
      2.800     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.30752E-02 ppm1      8.027 ppm2      4.184 CV     1
 ASSI {  273}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB  ))
      6.000     5.000     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      4.194 CV     1
 ASSI {  274}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 115  and name HG2%)
      2.900     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.26201E-02 ppm1      8.029 ppm2      1.181 CV     1
 ASSI {  275}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     5.000     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.363 ppm2      4.353 CV     1
 ASSI {  276}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     5.000     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.411 ppm2      4.364 CV     1
 ASSI {  277}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     5.000     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      1.835 CV     1
 ASSI {  278}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB3 ))
      6.000     5.000     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      1.746 CV     1
 ASSI {  279}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB3 ))
      3.900     2.400     2.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      8.409 ppm2      1.751 CV     1
 ASSI {  280}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HG3 ))
      6.000     5.000     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.350 ppm2      1.406 CV     1
 OR {  280}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HG2 ))
 ASSI {  281}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     5.000     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.945 ppm2      8.406 CV     1
 ASSI {  282}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     5.000     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.410 ppm2      4.329 CV     1
 ASSI {  283}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.300     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.10857E-01 ppm1      7.946 ppm2      4.338 CV     1
 ASSI {  284}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 117  and name HB% )
      2.500     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.61828E-02 ppm1      8.409 ppm2      1.383 CV     1
 ASSI {  285}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 117  and name HB% )
      3.400     1.900     1.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11377E-02 ppm1      7.945 ppm2      1.382 CV     1
 ASSI {  286}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     5.000     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.949 ppm2      4.116 CV     1
 ASSI {  287}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     5.000     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.944 ppm2      2.053 CV     1
 ASSI {  288}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      2.900     1.600     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.27045E-02 ppm1      7.949 ppm2      1.877 CV     1
 ASSI {  289}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     5.000     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.941 ppm2      2.179 CV     1
 OR {  289}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
 ASSI {  290}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     1.200     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.78668E-02 ppm1      8.149 ppm2      4.150 CV     1
 ASSI {  291}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     5.000     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.149 ppm2      1.808 CV     1
 ASSI {  292}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     5.000     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      1.815 CV     1
 ASSI {  293}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     5.000     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.149 ppm2      1.717 CV     1
 ASSI {  294}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     5.000     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      1.722 CV     1
 ASSI {  295}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     5.000     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.001 ppm2      8.149 CV     1
 ASSI {  296}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.81918E-02 ppm1      8.168 ppm2      4.688 CV     1
 ASSI {  297}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     5.000     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      4.677 CV     1
 ASSI {  298}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     5.000     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      2.844 CV     1
 ASSI {  300}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     5.000     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.994 ppm2      2.847 CV     1
 ASSI {  301}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     5.000     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      2.766 CV     1
 ASSI {  302}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     5.000     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      2.774 CV     1
 ASSI {  304}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.000     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.869 ppm2      7.985 CV     1
 ASSI {  305}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      6.000     5.000     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      4.306 CV     1
 ASSI {  306}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      6.000     5.000     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.867 ppm2      4.318 CV     1
 ASSI {  307}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HB% )
      6.000     5.000     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.999 ppm2      1.367 CV     1
 ASSI {  308}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HB% )
      6.000     5.000     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.868 ppm2      1.368 CV     1
 ASSI {  309}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     1.300     1.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.60203E-02 ppm1      7.870 ppm2      1.861 CV     1
 ASSI {  310}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     5.000     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.871 ppm2      1.718 CV     1
 ASSI {  311}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE2 ))
      6.000     5.000     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.871 ppm2      2.958 CV     1
 ASSI {  312}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     2.300     2.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.58187E-03 ppm1      9.135 ppm2      3.783 CV     1
 ASSI {  313}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     5.000     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      1.322 CV     1
 ASSI {  314}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      6.000     5.000     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      0.935 CV     1
 ASSI {  315}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.000     2.500     2.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.37058E-03 ppm1      9.137 ppm2      0.414 CV     1
 ASSI {  316}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.700     3.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.14368E-03 ppm1      9.135 ppm2      0.257 CV     1
 ASSI {  317}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.600     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.23665E-02 ppm1      9.137 ppm2      3.890 CV     1
 ASSI {  318}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      6.000     5.000     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      1.368 CV     1
 ASSI {  319}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     1.300     1.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.62868E-02 ppm1      7.448 ppm2      6.670 CV     1
 ASSI {  320}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     5.000     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.445 ppm2      4.540 CV     1
 ASSI {  321}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.800     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.15668E-02 ppm1      7.447 ppm2      4.804 CV     1
 ASSI {  322}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     5.000     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.446 ppm2      4.556 CV     1
 ASSI {  323}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.000     1.600     1.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.23600E-02 ppm1      7.445 ppm2      4.184 CV     1
 ASSI {  324}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.700     1.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      7.671 ppm2      4.275 CV     1
 ASSI {  325}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HB% )
      3.000     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.24380E-02 ppm1      7.671 ppm2      1.605 CV     1
 ASSI {  327}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     1.400     1.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.48240E-02 ppm1      7.670 ppm2      4.008 CV     1
 ASSI {  328}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     5.000     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.968 ppm2      4.001 CV     1
 ASSI {  329}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      2.500     1.300     1.300 peak   329 spectrum    1 weight  0.10000E+01 volume  0.65014E-02 ppm1      7.671 ppm2      0.953 CV     1
 ASSI {  330}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      6.000     5.000     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.969 ppm2      0.962 CV     1
 ASSI {  331}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.771 ppm2      7.966 CV     1
 ASSI {  332}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     5.000     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.966 ppm2      4.554 CV     1
 ASSI {  333}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     1.400     1.400 peak   333 spectrum    1 weight  0.10000E+01 volume  0.43429E-02 ppm1      7.776 ppm2      4.549 CV     1
 ASSI {  334}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.600     3.200     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.16448E-03 ppm1      7.974 ppm2      3.638 CV     1
 ASSI {  335}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.600     1.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      7.774 ppm2      3.642 CV     1
 ASSI {  336}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.500     2.100     2.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83220E-03 ppm1      7.972 ppm2      3.205 CV     1
 ASSI {  337}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.000     1.600     1.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.22105E-02 ppm1      7.774 ppm2      3.191 CV     1
 ASSI {  338}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     1.200     1.200 peak   338 spectrum    1 weight  0.10000E+01 volume  0.96868E-02 ppm1      7.403 ppm2      7.766 CV     1
 ASSI {  339}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     1.300     1.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.73465E-02 ppm1      7.775 ppm2      3.841 CV     1
 ASSI {  340}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     2.400     2.100 peak   340 spectrum    1 weight  0.10000E+01 volume  0.43949E-03 ppm1      7.403 ppm2      3.848 CV     1
 ASSI {  341}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      2.000     1.000     1.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.22430E-01 ppm1      7.773 ppm2      1.489 CV     1
 ASSI {  342}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      6.000     5.000     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.403 ppm2      1.489 CV     1
 ASSI {  343}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     5.000     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.403 ppm2      4.074 CV     1
 ASSI {  344}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     5.000     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.785 ppm2      4.072 CV     1
 ASSI {  345}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.400 ppm2      1.876 CV     1
 ASSI {  346}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.785 ppm2      1.876 CV     1
 ASSI {  347}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     5.000     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.398 ppm2      1.849 CV     1
 ASSI {  348}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      6.000     5.000     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.399 ppm2      1.538 CV     1
 ASSI {  349}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     5.000     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.404 ppm2      1.450 CV     1
 ASSI {  350}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      6.000     5.000     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.401 ppm2      1.653 CV     1
 OR {  350}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  351}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HE2 ))
      4.500     3.000     1.500 peak   351 spectrum    1 weight  0.10000E+01 volume  0.20480E-03 ppm1      7.404 ppm2      2.930 CV     1
 OR {  351}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI {  352}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.816 ppm2      7.794 CV     1
 ASSI {  353}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     5.000     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.786 ppm2      3.993 CV     1
 ASSI {  354}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     5.000     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.814 ppm2      3.996 CV     1
 ASSI {  355}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.200     1.800     1.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.14368E-02 ppm1      7.787 ppm2      2.302 CV     1
 ASSI {  356}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.500     2.000     2.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.87117E-03 ppm1      7.818 ppm2      2.310 CV     1
 ASSI {  357}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     5.000     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.788 ppm2      2.122 CV     1
 ASSI {  358}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.900     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.28216E-02 ppm1      7.818 ppm2      2.123 CV     1
 ASSI {  359}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.100     1.700     1.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17034E-02 ppm1      7.788 ppm2      2.518 CV     1
 ASSI {  360}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.200     2.700     1.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.29256E-03 ppm1      7.816 ppm2      2.498 CV     1
 ASSI {  361}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     5.000     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.788 ppm2      2.130 CV     1
 ASSI {  362}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     1.200     1.200 peak   362 spectrum    1 weight  0.10000E+01 volume  0.88419E-02 ppm1      7.459 ppm2      7.801 CV     1
 ASSI {  363}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     5.000     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      4.043 CV     1
 ASSI {  364}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     5.000     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.461 ppm2      4.044 CV     1
 ASSI {  365}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      2.300     1.200     1.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.99471E-02 ppm1      7.817 ppm2      1.012 CV     1
 ASSI {  366}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      2.400     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.83867E-02 ppm1      7.460 ppm2      1.013 CV     1
 ASSI {  368}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.000     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.462 ppm2      4.034 CV     1
 ASSI {  369}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.000     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.490 ppm2      4.033 CV     1
 ASSI {  370}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.000     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.458 ppm2      2.174 CV     1
 ASSI {  371}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.000     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.489 ppm2      2.178 CV     1
 ASSI {  372}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.458 ppm2      2.038 CV     1
 ASSI {  373}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.492 ppm2      2.041 CV     1
 ASSI {  374}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     5.000     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.459 ppm2      2.436 CV     1
 ASSI {  375}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     5.000     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.460 ppm2      2.334 CV     1
 ASSI {  376}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      6.000     5.000     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.492 ppm2      4.056 CV     1
 ASSI {  377}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     1.400     1.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.43559E-02 ppm1      7.418 ppm2      8.158 CV     1
 ASSI {  378}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.26915E-02 ppm1      8.170 ppm2      4.070 CV     1
 ASSI {  379}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.17229E-02 ppm1      7.419 ppm2      4.071 CV     1
 ASSI {  380}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.200     1.100     1.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.15278E-01 ppm1      8.170 ppm2      1.362 CV     1
 ASSI {  381}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.700     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.43234E-02 ppm1      7.417 ppm2      1.354 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.28996E-02 ppm1      8.317 ppm2      7.420 CV     1
 ASSI {  383}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     5.000     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.417 ppm2      4.209 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     5.000     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      4.214 CV     1
 ASSI {  385}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.700     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.42064E-02 ppm1      7.417 ppm2      2.271 CV     1
 ASSI {  386}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     5.000     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.418 ppm2      2.136 CV     1
 ASSI {  387}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     5.000     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      2.135 CV     1
 ASSI {  388}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.900     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      7.417 ppm2      1.956 CV     1
 ASSI {  389}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     5.000     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      8.303 CV     1
 ASSI {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      6.000     5.000     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.318 ppm2      4.357 CV     1
 ASSI {  391}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.000     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.320 ppm2      3.926 CV     1
 ASSI {  392}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.900     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12483E-02 ppm1      8.165 ppm2      3.925 CV     1
 ASSI {  393}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      2.900     1.600     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.24705E-02 ppm1      8.317 ppm2      1.068 CV     1
 ASSI {  394}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      8.164 ppm2      1.075 CV     1
 ASSI {  395}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.400     1.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.36928E-02 ppm1      7.486 ppm2      8.157 CV     1
 ASSI {  396}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     2.100     2.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      7.700 ppm2      8.167 CV     1
 ASSI {  397}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.800     1.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.15538E-02 ppm1      7.487 ppm2      4.382 CV     1
 ASSI {  398}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.485 ppm2      2.771 CV     1
 ASSI {  399}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     1.300     1.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.68264E-02 ppm1      7.698 ppm2      7.474 CV     1
 ASSI {  400}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.64818E-02 ppm1      7.485 ppm2      4.669 CV     1
 ASSI {  401}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     5.000     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.487 ppm2      2.906 CV     1
 ASSI {  402}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     5.000     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.484 ppm2      2.813 CV     1
 ASSI {  403}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     5.000     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.696 ppm2      2.815 CV     1
 ASSI {  404}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.800     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.15213E-02 ppm1      9.006 ppm2      7.689 CV     1
 ASSI {  405}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     1.300     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.52206E-02 ppm1      7.700 ppm2      4.959 CV     1
 ASSI {  406}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.300     1.200     1.200 peak   406 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      9.006 ppm2      4.958 CV     1
 ASSI {  407}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     5.000     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.695 ppm2      2.912 CV     1
 ASSI {  408}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.000     1.600     1.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.21975E-02 ppm1      9.006 ppm2      2.906 CV     1
 ASSI {  409}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      2.600     1.300     1.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.56237E-02 ppm1      7.698 ppm2      2.412 CV     1
 ASSI {  410}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      2.900     1.600     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.25876E-02 ppm1      9.006 ppm2      2.414 CV     1
 ASSI {  413}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.600     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.23795E-02 ppm1      9.007 ppm2      4.111 CV     1
 ASSI {  414}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.700     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.16384E-02 ppm1      8.045 ppm2      4.119 CV     1
 ASSI {  415}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.500     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.72815E-02 ppm1      9.006 ppm2      3.922 CV     1
 OR {  415}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  416}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.500     1.300     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.73465E-02 ppm1      8.044 ppm2      3.916 CV     1
 OR {  416}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  417}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.29906E-02 ppm1      8.905 ppm2      8.040 CV     1
 ASSI {  418}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.58383E-02 ppm1      8.044 ppm2      4.324 CV     1
 ASSI {  419}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11247E-02 ppm1      8.909 ppm2      4.320 CV     1
 ASSI {  420}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.95574E-02 ppm1      8.046 ppm2      1.971 CV     1
 ASSI {  421}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      6.000     5.000     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.905 ppm2      1.982 CV     1
 ASSI {  422}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.300     1.200     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.10012E-01 ppm1      8.045 ppm2      1.661 CV     1
 ASSI {  423}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG  ))
      6.000     5.000     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.044 ppm2      1.447 CV     1
 ASSI {  424}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      6.000     5.000     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.040 ppm2      0.946 CV     1
 ASSI {  425}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
      6.000     5.000     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.042 ppm2      0.963 CV     1
 ASSI {  426}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.38553E-02 ppm1      8.456 ppm2      8.889 CV     1
 ASSI {  427}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     5.000     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.905 ppm2      3.861 CV     1
 ASSI {  428}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     5.000     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      3.860 CV     1
 ASSI {  429}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     5.000     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.903 ppm2      2.050 CV     1
 ASSI {  430}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     5.000     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.452 ppm2      2.052 CV     1
 ASSI {  431}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.800     1.500     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.30556E-02 ppm1      8.904 ppm2      1.397 CV     1
 ASSI {  432}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.800     1.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.36343E-02 ppm1      8.456 ppm2      1.413 CV     1
 ASSI {  433}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     1.200     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.81264E-02 ppm1      8.107 ppm2      8.450 CV     1
 ASSI {  434}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.200     1.100     1.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.15213E-01 ppm1      8.453 ppm2      3.989 CV     1
 ASSI {  435}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     5.000     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.102 ppm2      4.015 CV     1
 OR {  435}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  436}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     5.000     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.457 ppm2      3.896 CV     1
 ASSI {  437}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     5.000     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.105 ppm2      3.893 CV     1
 ASSI {  438}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.800     2.300     2.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.55457E-03 ppm1      8.537 ppm2      8.100 CV     1
 ASSI {  439}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA2 ))
      6.000     5.000     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.107 ppm2      3.927 CV     1
 OR {  439}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA1 ))
 ASSI {  440}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA2 ))
      3.400     1.900     1.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.10597E-02 ppm1      8.531 ppm2      3.932 CV     1
 OR {  440}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA1 ))
 ASSI {  441}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.000     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.371 ppm2      8.550 CV     1
 ASSI {  442}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     5.000     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.534 ppm2      4.081 CV     1
 ASSI {  443}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     5.000     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.373 ppm2      4.076 CV     1
 ASSI {  444}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      1.990 CV     1
 ASSI {  445}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      1.978 CV     1
 ASSI {  446}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      5.600     4.400     0.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.51230E-04 ppm1      8.533 ppm2      1.230 CV     1
 ASSI {  447}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG  ))
      6.000     5.000     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      1.996 CV     1
 ASSI {  448}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      6.000     5.000     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      0.758 CV     1
 ASSI {  449}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD2%)
      6.000     5.000     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      0.802 CV     1
 ASSI {  450}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.800     1.500     1.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.32637E-02 ppm1      8.383 ppm2      1.952 CV     1
 ASSI {  452}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.900     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      7.998 ppm2      8.378 CV     1
 ASSI {  453}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
      6.000     5.000     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      3.982 CV     1
 ASSI {  454}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA2 ))
      6.000     5.000     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      3.874 CV     1
 ASSI {  455}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA2 ))
      2.600     1.300     1.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.53962E-02 ppm1      7.622 ppm2      3.880 CV     1
 ASSI {  456}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34977E-02 ppm1      8.383 ppm2      7.606 CV     1
 ASSI {  457}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.62218E-02 ppm1      7.999 ppm2      7.611 CV     1
 ASSI {  458}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.50775E-02 ppm1      7.622 ppm2      4.448 CV     1
 ASSI {  459}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.33222E-02 ppm1      7.997 ppm2      4.457 CV     1
 ASSI {  460}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HB% )
      2.100     1.100     1.100 peak   460 spectrum    1 weight  0.10000E+01 volume  0.18594E-01 ppm1      7.622 ppm2      1.479 CV     1
 ASSI {  461}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HB% )
      2.500     1.300     1.300 peak   461 spectrum    1 weight  0.10000E+01 volume  0.65014E-02 ppm1      7.999 ppm2      1.482 CV     1
 ASSI {  463}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA1 ))
      2.400     1.200     1.200 peak   463 spectrum    1 weight  0.10000E+01 volume  0.85168E-02 ppm1      8.000 ppm2      4.156 CV     1
 ASSI {  464}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      2.400     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.76065E-02 ppm1      8.000 ppm2      3.981 CV     1
 ASSI {  465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      2.900     1.600     1.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      7.918 ppm2      3.997 CV     1
 ASSI {  466}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.83220E-02 ppm1      6.985 ppm2      7.921 CV     1
 ASSI {  467}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     5.000     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.914 ppm2      4.364 CV     1
 ASSI {  468}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.900     1.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      6.990 ppm2      4.362 CV     1
 ASSI {  469}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG  ))
      6.000     5.000     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.919 ppm2      1.714 CV     1
 ASSI {  470}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     5.000     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.922 ppm2      1.620 CV     1
 ASSI {  471}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      2.800     1.500     1.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.36407E-02 ppm1      6.985 ppm2      1.640 CV     1
 OR {  471}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  472}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
      6.000     5.000     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.917 ppm2      0.805 CV     1
 ASSI {  473}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HD2%)
      6.000     5.000     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.919 ppm2      0.787 CV     1
 ASSI {  474}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.900     1.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      8.100 ppm2      6.974 CV     1
 ASSI {  475}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.800     1.800 peak   475 spectrum    1 weight  0.10000E+01 volume  0.13393E-02 ppm1      6.987 ppm2      4.702 CV     1
 ASSI {  476}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     1.400     1.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.43104E-02 ppm1      8.097 ppm2      4.696 CV     1
 ASSI {  477}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.900     1.600     1.600 peak   477 spectrum    1 weight  0.10000E+01 volume  0.27176E-02 ppm1      6.989 ppm2      1.311 CV     1
 ASSI {  478}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.900     1.500     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.28866E-02 ppm1      6.988 ppm2      1.948 CV     1
 ASSI {  479}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.700     1.400     1.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.37383E-02 ppm1      8.097 ppm2      1.938 CV     1
 ASSI {  480}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     5.000     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.989 ppm2      0.855 CV     1
 ASSI {  481}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
      6.000     5.000     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.987 ppm2      0.881 CV     1
 ASSI {  482}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.500     1.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.27891E-02 ppm1      8.096 ppm2      4.886 CV     1
 ASSI {  483}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     1.200     1.200 peak   483 spectrum    1 weight  0.10000E+01 volume  0.78013E-02 ppm1      8.197 ppm2      4.877 CV     1
 ASSI {  484}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18854E-02 ppm1      8.101 ppm2      3.000 CV     1
 ASSI {  485}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     1.400     1.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.41544E-02 ppm1      8.197 ppm2      3.001 CV     1
 ASSI {  486}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.700     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.37512E-02 ppm1      8.103 ppm2      2.380 CV     1
 ASSI {  487}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.900     1.600     1.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.25876E-02 ppm1      8.198 ppm2      2.386 CV     1
 ASSI {  489}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      2.700     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.45704E-02 ppm1      8.197 ppm2      3.631 CV     1
 ASSI {  490}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     1.400     1.400 peak   490 spectrum    1 weight  0.10000E+01 volume  0.39528E-02 ppm1      7.970 ppm2      4.392 CV     1
 ASSI {  491}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.38748E-02 ppm1      9.043 ppm2      4.388 CV     1
 ASSI {  492}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.34912E-02 ppm1      7.974 ppm2      1.704 CV     1
 ASSI {  493}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.600     2.100     2.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.77366E-03 ppm1      9.043 ppm2      1.717 CV     1
 ASSI {  494}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.800     1.500     1.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.30556E-02 ppm1      7.972 ppm2      1.335 CV     1
 ASSI {  495}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.400     2.900     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.22105E-03 ppm1      9.042 ppm2      1.334 CV     1
 ASSI {  496}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.700     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.19049E-02 ppm1      7.970 ppm2      1.447 CV     1
 ASSI {  497}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.969 ppm2      0.787 CV     1
 ASSI {  498}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.400     2.000     2.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.97522E-03 ppm1      9.043 ppm2      4.081 CV     1
 ASSI {  499}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     1.300     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.70215E-02 ppm1      9.020 ppm2      4.083 CV     1
 ASSI {  500}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.043 ppm2      3.894 CV     1
 ASSI {  501}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.016 ppm2      3.893 CV     1
 ASSI {  502}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.045 ppm2      3.803 CV     1
 ASSI {  503}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.016 ppm2      3.808 CV     1
 ASSI {  504}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     1.300     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.74115E-02 ppm1      7.892 ppm2      9.010 CV     1
 ASSI {  505}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA1 ))
      2.900     1.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      9.017 ppm2      4.214 CV     1
 ASSI {  506}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA2 ))
      6.000     5.000     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.017 ppm2      3.784 CV     1
 ASSI {  507}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA2 ))
      2.500     1.300     1.300 peak   507 spectrum    1 weight  0.10000E+01 volume  0.61503E-02 ppm1      7.892 ppm2      3.799 CV     1
 ASSI {  509}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.23405E-02 ppm1      8.694 ppm2      7.876 CV     1
 ASSI {  510}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     1.300     1.300 peak   510 spectrum    1 weight  0.10000E+01 volume  0.66964E-02 ppm1      7.893 ppm2      5.059 CV     1
 ASSI {  511}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     5.000     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.695 ppm2      5.064 CV     1
 ASSI {  512}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.52401E-02 ppm1      7.894 ppm2      2.684 CV     1
 ASSI {  513}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HB2 ))
      3.300     1.800     1.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      6.989 ppm2      2.670 CV     1
 ASSI {  514}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.100     1.700     1.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      8.692 ppm2      2.681 CV     1
 ASSI {  515}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.400     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.88419E-02 ppm1      7.893 ppm2      2.376 CV     1
 ASSI {  516}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HB3 ))
      3.200     1.700     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.16318E-02 ppm1      6.989 ppm2      2.376 CV     1
 ASSI {  517}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.900     1.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.27501E-02 ppm1      8.695 ppm2      2.379 CV     1
 ASSI {  520}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     5.000     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.696 ppm2      4.068 CV     1
 ASSI {  521}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     5.000     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.954 ppm2      4.078 CV     1
 ASSI {  522}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      6.000     5.000     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.955 ppm2      4.056 CV     1
 ASSI {  523}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.48565E-02 ppm1      7.665 ppm2      8.940 CV     1
 ASSI {  524}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA1 ))
      2.800     1.500     1.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.34457E-02 ppm1      8.956 ppm2      4.345 CV     1
 ASSI {  525}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA1 ))
      2.900     1.500     1.500 peak   525 spectrum    1 weight  0.10000E+01 volume  0.27371E-02 ppm1      7.665 ppm2      4.347 CV     1
 ASSI {  526}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA2 ))
      2.700     1.400     1.400 peak   526 spectrum    1 weight  0.10000E+01 volume  0.45900E-02 ppm1      8.956 ppm2      3.661 CV     1
 ASSI {  527}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA2 ))
      6.000     5.000     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.667 ppm2      3.658 CV     1
 ASSI {  529}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     5.000     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.666 ppm2      4.152 CV     1
 ASSI {  530}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     5.000     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.610 ppm2      4.155 CV     1
 ASSI {  531}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.600     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.24965E-02 ppm1      7.665 ppm2      3.887 CV     1
 ASSI {  532}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.800     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.14953E-02 ppm1      7.608 ppm2      3.891 CV     1
 ASSI {  533}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     5.000     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.665 ppm2      3.767 CV     1
 ASSI {  534}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     5.000     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.609 ppm2      3.763 CV     1
 ASSI {  536}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.700     2.200     2.200 peak   536 spectrum    1 weight  0.10000E+01 volume  0.66964E-03 ppm1      7.613 ppm2      4.905 CV     1
 ASSI {  537}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.55457E-02 ppm1      8.690 ppm2      4.912 CV     1
 ASSI {  538}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      6.000     5.000     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.610 ppm2      1.327 CV     1
 ASSI {  539}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.600     1.400     1.400 peak   539 spectrum    1 weight  0.10000E+01 volume  0.48305E-02 ppm1      8.692 ppm2      1.328 CV     1
 ASSI {  540}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     2.000     2.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      8.690 ppm2      5.558 CV     1
 ASSI {  541}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.49280E-02 ppm1      8.794 ppm2      5.550 CV     1
 ASSI {  542}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.100     1.700     1.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      8.692 ppm2      2.693 CV     1
 ASSI {  543}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     2.000     2.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      8.795 ppm2      2.698 CV     1
 ASSI {  544}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.400     1.900     1.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.11377E-02 ppm1      8.690 ppm2      2.495 CV     1
 ASSI {  545}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.200     1.800     1.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.15473E-02 ppm1      8.792 ppm2      2.500 CV     1
 ASSI {  546}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     5.000     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.777 ppm2      4.854 CV     1
 ASSI {  547}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HB% )
      6.000     5.000     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.790 ppm2      1.162 CV     1
 ASSI {  548}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HB% )
      6.000     5.000     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.779 ppm2      1.170 CV     1
 ASSI {  549}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.900     2.400     2.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.48435E-03 ppm1      8.777 ppm2      4.465 CV     1
 ASSI {  550}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.300     1.800     1.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.12938E-02 ppm1      8.775 ppm2      2.143 CV     1
 ASSI {  551}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      6.000     5.000     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.775 ppm2      1.673 CV     1
 ASSI {  552}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
      3.500     2.100     2.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.80617E-03 ppm1      8.775 ppm2      1.931 CV     1
 ASSI {  553}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      6.000     5.000     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.775 ppm2      1.591 CV     1
 ASSI {  554}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      4.700     3.300     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.14953E-03 ppm1      8.778 ppm2      1.389 CV     1
 ASSI {  555}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HE2 ))
      4.400     2.900     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22755E-03 ppm1      8.773 ppm2      3.028 CV     1
 OR {  555}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI {  556}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.25356E-04 ppm1      7.937 ppm2      0.978 CV     1
 ASSI {  557}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.350 ppm2      0.986 CV     1
 ASSI {  558}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.009 ppm2      0.987 CV     1
 ASSI {  559}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.000     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.009 ppm2      0.937 CV     1
 ASSI {  560}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
      5.100     3.800     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.88419E-04 ppm1      7.007 ppm2      1.594 CV     1
 ASSI {  561}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG3 ))
      6.000     5.000     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      2.339 CV     1
 ASSI {  562}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     5.000     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      2.489 CV     1
 ASSI {  563}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD1%)
      2.500     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.72165E-02 ppm1      8.034 ppm2      0.947 CV     1
 ASSI {  564}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD2%)
      2.600     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.54481E-02 ppm1      8.035 ppm2      0.810 CV     1
 ASSI {  565}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG  ))
      6.000     5.000     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.032 ppm2      1.617 CV     1
 ASSI {  566}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      3.200     1.800     1.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14303E-02 ppm1      7.007 ppm2      1.200 CV     1
 ASSI {  567}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      3.000     1.600     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.23990E-02 ppm1      8.076 ppm2      1.207 CV     1
 ASSI {  568}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.100     1.700     1.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.17423E-02 ppm1      7.009 ppm2      0.676 CV     1
 ASSI {  569}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.300     1.900     1.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11963E-02 ppm1      8.659 ppm2      2.142 CV     1
 ASSI {  570}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     5.000     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.008 ppm2      2.136 CV     1
 ASSI {  571}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.700     1.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      7.587 ppm2      3.250 CV     1
 ASSI {  572}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     2.100     2.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.83867E-03 ppm1      7.792 ppm2      3.252 CV     1
 ASSI {  573}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     5.000     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.349 ppm2      3.252 CV     1
 ASSI {  574}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.44729E-02 ppm1      7.008 ppm2      8.071 CV     1
 ASSI {  575}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.800     2.300     2.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.50841E-03 ppm1      7.010 ppm2      8.361 CV     1
 ASSI {  576}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     5.000     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.007 ppm2      3.815 CV     1
 ASSI {  577}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.500     2.000     2.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.91669E-03 ppm1      8.657 ppm2      4.477 CV     1
 ASSI {  578}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.700     2.200     2.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.64493E-03 ppm1      8.654 ppm2      1.866 CV     1
 ASSI {  579}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     5.000     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.658 ppm2      1.636 CV     1
 ASSI {  580}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.000     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.659 ppm2      0.936 CV     1
 ASSI {  581}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.659 ppm2      0.988 CV     1
 ASSI {  582}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      5.000     3.600     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.10207E-03 ppm1      8.659 ppm2      0.682 CV     1
 ASSI {  583}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.500     2.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.42389E-03 ppm1      8.072 ppm2      3.239 CV     1
 ASSI {  584}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.500     1.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.29711E-02 ppm1      8.099 ppm2      4.158 CV     1
 ASSI {  585}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     5.000     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.098 ppm2      0.845 CV     1
 ASSI {  586}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
      6.000     5.000     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.098 ppm2      0.883 CV     1
 ASSI {  587}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     1.900     1.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      8.105 ppm2      0.682 CV     1
 ASSI {  588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.900     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.27501E-02 ppm1      8.097 ppm2      1.319 CV     1
 ASSI {  589}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      4.000     2.500     2.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.38553E-03 ppm1      7.790 ppm2      0.619 CV     1
 ASSI {  590}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     5.000     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.348 ppm2      0.615 CV     1
 ASSI {  591}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      6.000     5.000     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.790 ppm2      0.779 CV     1
 ASSI {  592}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.793 ppm2      0.978 CV     1
 ASSI {  593}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      3.600     2.100     2.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.70215E-03 ppm1      8.348 ppm2      2.485 CV     1
 ASSI {  594}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      4.800     3.400     1.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.12483E-03 ppm1      8.349 ppm2      3.938 CV     1
 OR {  594}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
 ASSI {  595}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     2.100     2.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      7.790 ppm2      4.559 CV     1
 ASSI {  596}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.800     2.300     2.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.51296E-03 ppm1      7.785 ppm2      2.287 CV     1
 ASSI {  597}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      4.300     2.800     1.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.26526E-03 ppm1      7.790 ppm2      1.843 CV     1
 ASSI {  598}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HB% )
      3.200     1.800     1.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.14368E-02 ppm1      8.033 ppm2      1.389 CV     1
 ASSI {  599}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     5.000     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.035 ppm2      0.621 CV     1
 ASSI {  600}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      4.300     2.800     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.27306E-03 ppm1      7.490 ppm2      2.088 CV     1
 ASSI {  601}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.600     1.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.20999E-02 ppm1      8.098 ppm2      7.919 CV     1
 ASSI {  602}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.500     1.500 peak   602 spectrum    1 weight  0.10000E+01 volume  0.34067E-02 ppm1      7.936 ppm2      8.336 CV     1
 ASSI {  603}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     5.000     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.933 ppm2      7.773 CV     1
 ASSI {  605}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      6.000     5.000     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.048 ppm2      9.130 CV     1
 ASSI {  607}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.600     2.100     2.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.77366E-03 ppm1      9.279 ppm2      8.400 CV     1
 ASSI {  610}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     2.100     2.100 peak   610 spectrum    1 weight  0.10000E+01 volume  0.76065E-03 ppm1      9.274 ppm2      5.970 CV     1
 ASSI {  611}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.406 ppm2      0.908 CV     1
 ASSI {  612}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.900     1.500     1.500 peak   612 spectrum    1 weight  0.10000E+01 volume  0.28671E-02 ppm1      9.279 ppm2      4.856 CV     1
 ASSI {  613}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      6.000     5.000     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.050 ppm2      5.186 CV     1
 ASSI {  614}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.282 ppm2      0.906 CV     1
 ASSI {  615}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.283 ppm2      0.934 CV     1
 ASSI {  616}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.500     2.000     2.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.87772E-03 ppm1      9.052 ppm2      4.253 CV     1
 ASSI {  617}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.600     1.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.34717E-03 ppm1      8.622 ppm2      8.185 CV     1
 ASSI {  618}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.600     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.25810E-02 ppm1      8.621 ppm2      9.034 CV     1
 ASSI {  619}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.800     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      8.715 ppm2      9.038 CV     1
 ASSI {  621}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     5.000     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.887 ppm2      8.390 CV     1
 ASSI {  622}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.000     2.500     2.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.41024E-03 ppm1      8.489 ppm2      9.037 CV     1
 ASSI {  623}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      2.500     1.300     1.300 peak   623 spectrum    1 weight  0.10000E+01 volume  0.72165E-02 ppm1      7.944 ppm2      1.182 CV     1
 ASSI {  625}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     5.000     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.619 ppm2      4.389 CV     1
 ASSI {  626}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.400     1.900     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      8.623 ppm2      3.010 CV     1
 ASSI {  627}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.300     2.800     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.24770E-03 ppm1      7.946 ppm2      3.013 CV     1
 ASSI {  628}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     5.000     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.712 ppm2      3.015 CV     1
 ASSI {  629}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.600     1.300     1.300 peak   629 spectrum    1 weight  0.10000E+01 volume  0.53701E-02 ppm1      8.491 ppm2      5.090 CV     1
 ASSI {  630}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.600     2.100     2.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.72165E-03 ppm1      8.887 ppm2      5.091 CV     1
 ASSI {  631}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      4.800     3.400     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13523E-03 ppm1      8.623 ppm2      3.801 CV     1
 ASSI {  632}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.000     2.500     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.39333E-03 ppm1      8.885 ppm2      3.889 CV     1
 ASSI {  633}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 99   and name HD3 ))
      3.800     2.300     2.200 peak   633 spectrum    1 weight  0.10000E+01 volume  0.51101E-03 ppm1      8.709 ppm2      3.698 CV     1
 ASSI {  634}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.621 ppm2      0.780 CV     1
 ASSI {  635}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      2.600     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.58447E-02 ppm1      8.887 ppm2      0.784 CV     1
 OR {  635}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  636}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.621 ppm2      1.102 CV     1
 ASSI {  637}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      3.000     1.600     1.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.22950E-02 ppm1      8.714 ppm2      1.109 CV     1
 ASSI {  638}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      2.600     1.400     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.49605E-02 ppm1      8.490 ppm2      1.108 CV     1
 ASSI {  639}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HG1%)
      6.000     5.000     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.887 ppm2      0.957 CV     1
 ASSI {  640}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      2.700     1.400     1.400 peak   640 spectrum    1 weight  0.10000E+01 volume  0.42779E-02 ppm1      8.400 ppm2      1.414 CV     1
 ASSI {  641}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     5.000     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.402 ppm2      0.855 CV     1
 ASSI {  642}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      0.904 CV     1
 ASSI {  643}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.600     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.23795E-02 ppm1      7.933 ppm2      8.775 CV     1
 ASSI {  645}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.500     2.000     2.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.91669E-03 ppm1      9.434 ppm2      7.582 CV     1
 ASSI {  646}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 93   and name HD21))
      3.600     2.100     2.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.76719E-03 ppm1      8.915 ppm2      7.590 CV     1
 ASSI {  647}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.800     1.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15083E-02 ppm1      8.356 ppm2      7.590 CV     1
 ASSI {  649}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 21   and name HE21))
      3.200     1.800     1.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      9.694 ppm2      7.404 CV     1
 ASSI {  650}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     2.300     2.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.56952E-03 ppm1      8.914 ppm2      8.345 CV     1
 ASSI {  653}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 21   and name HE22))
      3.300     1.900     1.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.12027E-02 ppm1      9.688 ppm2      6.569 CV     1
 ASSI {  654}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG13))
      6.000     5.000     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.173 ppm2      1.204 CV     1
 ASSI {  655}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.600     2.100     2.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.79970E-03 ppm1      9.173 ppm2      5.185 CV     1
 ASSI {  656}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      5.800     4.700     0.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.41154E-04 ppm1      7.588 ppm2      5.983 CV     1
 ASSI {  657}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.500     2.000     2.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.92971E-03 ppm1      9.433 ppm2      2.389 CV     1
 ASSI {  659}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.900     2.400     2.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.49150E-03 ppm1      8.914 ppm2      1.944 CV     1
 ASSI {  660}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      4.500     3.000     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.20089E-03 ppm1      8.914 ppm2      2.271 CV     1
 ASSI {  661}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.700     3.300     1.300 peak   661 spectrum    1 weight  0.10000E+01 volume  0.15018E-03 ppm1      8.913 ppm2      2.134 CV     1
 ASSI {  662}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.200     1.800     1.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      8.765 ppm2      3.785 CV     1
 ASSI {  663}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      6.000     5.000     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.765 ppm2      3.174 CV     1
 ASSI {  664}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      6.000     5.000     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      2.991 CV     1
 ASSI {  665}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      1.624 CV     1
 ASSI {  666}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     5.000     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      1.501 CV     1
 ASSI {  667}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      1.565 CV     1
 ASSI {  668}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     5.000     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      1.301 CV     1
 ASSI {  669}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.765 ppm2      1.289 CV     1
 ASSI {  670}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HG3 ))
      6.000     5.000     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.765 ppm2      1.281 CV     1
 ASSI {  671}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HE2 ))
      6.000     5.000     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.765 ppm2      2.947 CV     1
 OR {  671}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  672}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.400     2.000     2.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.98169E-03 ppm1      8.766 ppm2      5.078 CV     1
 ASSI {  673}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      3.000     1.600     1.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.20999E-02 ppm1      9.193 ppm2      1.297 CV     1
 ASSI {  674}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      4.700     3.200     1.300 peak   674 spectrum    1 weight  0.10000E+01 volume  0.15928E-03 ppm1      7.588 ppm2      1.530 CV     1
 ASSI {  675}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG12))
      3.800     2.300     2.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.56757E-03 ppm1      7.589 ppm2      1.378 CV     1
 ASSI {  676}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG13))
      3.300     1.900     1.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1      7.590 ppm2      0.999 CV     1
 ASSI {  677}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      2.500     1.300     1.300 peak   677 spectrum    1 weight  0.10000E+01 volume  0.60788E-02 ppm1      7.590 ppm2      0.796 CV     1
 ASSI {  678}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      2.900     1.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.28346E-02 ppm1      7.586 ppm2      0.645 CV     1
 ASSI {  679}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.300     2.800     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.26981E-03 ppm1      9.435 ppm2      4.863 CV     1
 ASSI {  680}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.600     2.200     2.200 peak   680 spectrum    1 weight  0.10000E+01 volume  0.68264E-03 ppm1      7.931 ppm2      4.462 CV     1
 ASSI {  681}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.900     1.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      9.428 ppm2      3.785 CV     1
 ASSI {  682}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      3.400     1.900     1.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      9.434 ppm2      1.532 CV     1
 ASSI {  683}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      3.300     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.12743E-02 ppm1      9.432 ppm2      1.128 CV     1
 ASSI {  684}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      4.100     2.600     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.34132E-03 ppm1      7.932 ppm2      0.888 CV     1
 ASSI {  686}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
      3.300     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      9.433 ppm2      0.704 CV     1
 ASSI {  687}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      3.300     1.800     1.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.13393E-02 ppm1      9.434 ppm2      0.882 CV     1
 ASSI {  688}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
      6.000     5.000     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.353 ppm2      0.700 CV     1
 ASSI {  689}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      6.000     5.000     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.355 ppm2      0.893 CV     1
 ASSI {  690}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      3.600     2.200     2.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.68264E-03 ppm1      8.915 ppm2      0.643 CV     1
 ASSI {  691}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 94   and name HG12))
      4.000     2.500     2.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.41544E-03 ppm1      8.918 ppm2      1.369 CV     1
 ASSI {  692}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      6.000     5.000     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.692 ppm2      2.215 CV     1
 ASSI {  695}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.800     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.27111E-03 ppm1      7.612 ppm2      8.694 CV     1
 ASSI {  696}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.900     1.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.23015E-03 ppm1      7.609 ppm2      8.364 CV     1
 ASSI {  697}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     5.000     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      8.355 CV     1
 ASSI {  698}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.000     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.694 ppm2      8.105 CV     1
 ASSI {  700}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.800     2.300     2.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.51101E-03 ppm1      8.775 ppm2      6.997 CV     1
 ASSI {  701}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     5.000     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.793 ppm2      4.855 CV     1
 ASSI {  702}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      3.300     1.900     1.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      8.693 ppm2      4.576 CV     1
 ASSI {  703}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.666 ppm2      0.785 CV     1
 ASSI {  704}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
      3.000     1.600     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.23080E-02 ppm1      8.793 ppm2      0.705 CV     1
 ASSI {  705}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      2.900     1.600     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.25356E-02 ppm1      8.788 ppm2      0.890 CV     1
 ASSI {  706}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      3.700     2.200     2.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.59163E-03 ppm1      8.690 ppm2      3.639 CV     1
 ASSI {  707}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.200     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.15603E-02 ppm1      7.666 ppm2      1.724 CV     1
 ASSI {  708}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     5.000     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.687 ppm2      1.947 CV     1
 ASSI {  709}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.900     2.400     2.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.668 ppm2      2.151 CV     1
 ASSI {  710}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.900     2.400     2.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.47850E-03 ppm1      7.664 ppm2      2.358 CV     1
 ASSI {  711}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.400     1.900     1.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      7.665 ppm2      2.678 CV     1
 ASSI {  712}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     5.000     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.34848E-04 ppm1      8.691 ppm2      6.012 CV     1
 ASSI {  713}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.700     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.19699E-02 ppm1      8.794 ppm2      6.010 CV     1
 ASSI {  714}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.000     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.870 ppm2      4.276 CV     1
 ASSI {  715}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      6.000     5.000     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.869 ppm2      1.634 CV     1
 ASSI {  716}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.400     1.200     1.200 peak   716 spectrum    1 weight  0.10000E+01 volume  0.83867E-02 ppm1      7.869 ppm2      1.489 CV     1
 ASSI {  717}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD3 ))
      6.000     5.000     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.869 ppm2      1.489 CV     1
 ASSI {  718}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG3 ))
      6.000     5.000     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.869 ppm2      1.310 CV     1
 ASSI {  719}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE3 ))
      6.000     5.000     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.869 ppm2      2.932 CV     1
 ASSI {  720}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     5.000     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      0.923 CV     1
 ASSI {  721}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      6.000     5.000     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.417 ppm2      2.202 CV     1
 ASSI {  722}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     5.000     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      4.382 CV     1
 ASSI {  723}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      6.000     5.000     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.164 ppm2      4.349 CV     1
 ASSI {  724}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      2.777 CV     1
 ASSI {  725}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      2.733 CV     1
 ASSI {  726}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     5.000     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      1.911 CV     1
 ASSI {  727}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      0.867 CV     1
 ASSI {  728}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      0.761 CV     1
 ASSI {  729}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     5.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      4.147 CV     1
 ASSI {  730}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     5.000     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      1.950 CV     1
 ASSI {  731}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG  ))
      6.000     5.000     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      1.489 CV     1
 ASSI {  732}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      6.000     5.000     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      1.430 CV     1
 ASSI {  733}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      0.835 CV     1
 ASSI {  734}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      6.000     5.000     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.370 ppm2      0.770 CV     1
 ASSI {  735}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      6.000     5.000     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.695 ppm2      4.044 CV     1
 ASSI {  736}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      2.400     1.200     1.200 peak   736 spectrum    1 weight  0.10000E+01 volume  0.74763E-02 ppm1      8.695 ppm2      1.257 CV     1
 ASSI {  737}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
      3.400     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      9.234 ppm2      2.358 CV     1
 ASSI {  738}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG2 ))
      3.300     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      9.234 ppm2      2.402 CV     1
 ASSI {  739}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
      6.000     5.000     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.892 ppm2      2.215 CV     1
 OR {  739}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  741}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      6.000     5.000     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.695 ppm2      4.308 CV     1
 ASSI {  742}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      6.000     5.000     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      2.630 CV     1
 ASSI {  743}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HD2 ))
      6.000     5.000     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.368 ppm2      1.665 CV     1
 OR {  743}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HD3 ))
 ASSI {  744}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.500     1.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.28801E-02 ppm1      7.670 ppm2      9.698 CV     1
 ASSI {  745}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.800     1.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.26656E-03 ppm1      7.773 ppm2      9.688 CV     1
 ASSI {  746}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     2.000     2.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.91022E-03 ppm1      7.672 ppm2      7.958 CV     1
 ASSI {  747}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.17554E-05 ppm1      7.399 ppm2      7.957 CV     1
 ASSI {  749}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.35432E-02 ppm1      7.459 ppm2      8.479 CV     1
 ASSI {  750}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     2.400     2.100 peak   750 spectrum    1 weight  0.10000E+01 volume  0.48240E-03 ppm1      7.673 ppm2      4.536 CV     1
 ASSI {  751}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     6.000     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.62478E-05 ppm1      7.404 ppm2      4.546 CV     1
 ASSI {  752}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     2.200     2.200 peak   752 spectrum    1 weight  0.10000E+01 volume  0.68914E-03 ppm1      7.671 ppm2      4.797 CV     1
 ASSI {  753}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     5.000     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.778 ppm2      4.800 CV     1
 ASSI {  754}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      6.000     5.000     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.672 ppm2      2.220 CV     1
 OR {  754}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
 ASSI {  755}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      3.500     2.000     2.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.89066E-03 ppm1      7.677 ppm2      0.694 CV     1
 ASSI {  756}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      6.000     5.000     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.963 ppm2      0.695 CV     1
 ASSI {  757}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      3.400     2.000     2.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      7.782 ppm2      0.689 CV     1
 ASSI {  758}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      4.000     2.500     2.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.42389E-03 ppm1      7.403 ppm2      0.682 CV     1
 ASSI {  759}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      3.500     2.100     2.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.81264E-03 ppm1      7.820 ppm2      0.719 CV     1
 ASSI {  760}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     2.700     1.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.28086E-03 ppm1      7.774 ppm2      0.252 CV     1
 ASSI {  761}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.600     3.200     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.16384E-03 ppm1      7.774 ppm2      0.421 CV     1
 ASSI {  762}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     5.000     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.961 ppm2      4.276 CV     1
 ASSI {  763}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1      7.774 ppm2      4.275 CV     1
 ASSI {  764}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     2.100     2.100 peak   764 spectrum    1 weight  0.10000E+01 volume  0.83220E-03 ppm1      7.401 ppm2      4.288 CV     1
 ASSI {  765}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     2.300     2.200 peak   765 spectrum    1 weight  0.10000E+01 volume  0.54287E-03 ppm1      7.448 ppm2      3.633 CV     1
 ASSI {  766}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     5.000     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.402 ppm2      2.138 CV     1
 ASSI {  767}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     5.000     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.460 ppm2      3.845 CV     1
 ASSI {  769}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.000     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      8.157 CV     1
 ASSI {  771}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.000     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.699 ppm2      8.890 CV     1
 ASSI {  774}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     2.200     2.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.67614E-03 ppm1      7.700 ppm2      8.442 CV     1
 ASSI {  775}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.34197E-02 ppm1      9.007 ppm2      8.033 CV     1
 ASSI {  778}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     5.000     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.163 ppm2      1.953 CV     1
 ASSI {  779}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.700     2.300     2.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.58317E-03 ppm1      7.421 ppm2      4.358 CV     1
 ASSI {  780}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.700     1.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.20349E-02 ppm1      7.698 ppm2      4.376 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.400     4.200     0.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.63193E-04 ppm1      7.415 ppm2      3.920 CV     1
 ASSI {  782}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.485 ppm2      2.732 CV     1
 ASSI {  783}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      2.732 CV     1
 ASSI {  784}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      2.772 CV     1
 ASSI {  785}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.417 ppm2      2.726 CV     1
 ASSI {  786}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.417 ppm2      2.781 CV     1
 ASSI {  787}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      4.300     2.800     1.700 peak   787 spectrum    1 weight  0.10000E+01 volume  0.24445E-03 ppm1      8.318 ppm2      2.274 CV     1
 ASSI {  788}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.200     1.800     1.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      8.320 ppm2      1.953 CV     1
 ASSI {  789}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.300     1.800     1.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      8.314 ppm2      1.358 CV     1
 ASSI {  790}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.900     2.400     2.100 peak   790 spectrum    1 weight  0.10000E+01 volume  0.47525E-03 ppm1      7.484 ppm2      1.060 CV     1
 ASSI {  791}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      6.000     5.000     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.698 ppm2      1.065 CV     1
 ASSI {  792}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      6.000     5.000     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      1.073 CV     1
 ASSI {  793}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      4.600     3.200     1.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.16188E-03 ppm1      7.485 ppm2      2.420 CV     1
 ASSI {  794}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     5.000     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      4.105 CV     1
 ASSI {  795}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.300     2.800     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.26006E-03 ppm1      8.039 ppm2      2.894 CV     1
 ASSI {  796}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      3.700     2.200     2.200 peak   796 spectrum    1 weight  0.10000E+01 volume  0.67614E-03 ppm1      8.039 ppm2      2.404 CV     1
 ASSI {  797}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      3.900     2.400     2.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.47265E-03 ppm1      8.908 ppm2      2.409 CV     1
 ASSI {  798}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     5.000     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      2.407 CV     1
 ASSI {  799}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.800     2.300     2.200 peak   799 spectrum    1 weight  0.10000E+01 volume  0.54937E-03 ppm1      9.007 ppm2      1.963 CV     1
 ASSI {  800}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     2.400     2.100 peak   800 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      7.698 ppm2      2.029 CV     1
 ASSI {  801}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     5.000     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.456 ppm2      0.764 CV     1
 ASSI {  802}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     5.000     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      0.878 CV     1
 ASSI {  803}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      3.500     2.100     2.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.80617E-03 ppm1      7.698 ppm2      0.761 CV     1
 ASSI {  804}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.000     1.600     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.20935E-02 ppm1      7.698 ppm2      0.862 CV     1
 ASSI {  806}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.000     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.456 ppm2      8.038 CV     1
 ASSI {  807}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.800     3.400     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.13263E-03 ppm1      8.108 ppm2      8.904 CV     1
 ASSI {  808}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.000     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.104 ppm2      4.323 CV     1
 ASSI {  809}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     5.000     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.456 ppm2      1.908 CV     1
 ASSI {  810}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD22))
      3.400     2.000     2.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.98824E-03 ppm1      8.196 ppm2      6.886 CV     1
 ASSI {  811}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      4.200     2.700     1.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.30296E-03 ppm1      8.197 ppm2      7.273 CV     1
 ASSI {  813}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.29971E-02 ppm1      7.999 ppm2      6.975 CV     1
 ASSI {  814}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.700     1.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.31597E-03 ppm1      7.620 ppm2      6.973 CV     1
 ASSI {  817}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HD22))
      3.900     2.400     2.100 peak   817 spectrum    1 weight  0.10000E+01 volume  0.45770E-03 ppm1      9.025 ppm2      6.885 CV     1
 ASSI {  818}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HD21))
      4.100     2.600     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.33092E-03 ppm1      8.697 ppm2      6.989 CV     1
 ASSI {  819}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     2.700     1.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.29906E-03 ppm1      7.450 ppm2      0.250 CV     1
 ASSI {  820}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      5.200     3.900     0.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.82565E-04 ppm1      7.450 ppm2      0.411 CV     1
 ASSI {  821}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.600     2.100     2.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.74115E-03 ppm1      7.447 ppm2      1.374 CV     1
 ASSI {  822}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700     1.400     1.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.37903E-02 ppm1      9.137 ppm2      1.721 CV     1
 ASSI {  823}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.600     1.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.23340E-02 ppm1      9.136 ppm2      1.874 CV     1
 ASSI {  825}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.000     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.875 ppm2      6.672 CV     1
 ASSI {  826}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 75   and name HE22))
      6.000     5.000     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.387 ppm2      6.713 CV     1
 ASSI {  827}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     2.400     2.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.45120E-03 ppm1      9.132 ppm2      7.866 CV     1
 ASSI {  828}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     2.100     2.100 peak   828 spectrum    1 weight  0.10000E+01 volume  0.76065E-03 ppm1      9.136 ppm2      7.437 CV     1
 ASSI {  830}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.16904E-02 ppm1      7.448 ppm2      9.694 CV     1
 ASSI {  832}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.200     2.700     1.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.29126E-03 ppm1      7.669 ppm2      3.628 CV     1
 ASSI {  833}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.200     1.800     1.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      7.445 ppm2      3.200 CV     1
 ASSI {  834}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     5.000     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.446 ppm2      1.713 CV     1
 ASSI {  835}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.900     1.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10662E-02 ppm1      7.446 ppm2      1.087 CV     1
 ASSI {  836}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.100     1.100     1.100 peak   836 spectrum    1 weight  0.10000E+01 volume  0.17554E-01 ppm1      8.167 ppm2      4.153 CV     1
 ASSI {  837}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      6.000     5.000     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      4.156 CV     1
 ASSI {  838}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      6.000     5.000     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.384 ppm2      0.774 CV     1
 ASSI {  839}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.384 ppm2      0.833 CV     1
 ASSI {  840}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA2 ))
      6.000     5.000     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.371 ppm2      3.879 CV     1
 ASSI {  841}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
      6.000     5.000     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.371 ppm2      3.984 CV     1
 ASSI {  844}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.700     1.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      8.199 ppm2      7.971 CV     1
 ASSI {  847}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.000     2.500     2.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.42064E-03 ppm1      8.099 ppm2      8.623 CV     1
 ASSI {  848}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     5.800     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.21389E-04 ppm1      6.986 ppm2      8.772 CV     1
 ASSI {  850}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     2.400     2.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.49736E-03 ppm1      6.987 ppm2      8.377 CV     1
 ASSI {  851}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.100     1.700     1.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.19894E-02 ppm1      8.695 ppm2      8.946 CV     1
 ASSI {  852}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     5.000     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.921 ppm2      1.946 CV     1
 ASSI {  853}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA1 ))
      6.000     5.000     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.622 ppm2      4.159 CV     1
 ASSI {  854}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA1 ))
      2.700     1.400     1.400 peak   854 spectrum    1 weight  0.10000E+01 volume  0.38748E-02 ppm1      7.919 ppm2      4.153 CV     1
 ASSI {  855}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA1 ))
      3.000     1.600     1.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      6.990 ppm2      4.152 CV     1
 ASSI {  856}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
      3.400     2.000     2.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      6.989 ppm2      3.984 CV     1
 ASSI {  857}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.700     2.200     2.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.59163E-03 ppm1      7.968 ppm2      4.891 CV     1
 ASSI {  858}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.800     2.300     2.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.55717E-03 ppm1      9.044 ppm2      4.877 CV     1
 ASSI {  859}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.043 ppm2      0.780 CV     1
 ASSI {  860}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.044 ppm2      0.780 CV     1
 ASSI {  861}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      2.600     1.400     1.400 peak   861 spectrum    1 weight  0.10000E+01 volume  0.49736E-02 ppm1      7.970 ppm2      3.635 CV     1
 ASSI {  862}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.193 ppm2      4.338 CV     1
 ASSI {  863}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      2.900     1.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      8.197 ppm2      4.568 CV     1
 ASSI {  864}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      2.600     1.300     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.52466E-02 ppm1      7.972 ppm2      4.569 CV     1
 ASSI {  865}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      3.600     2.200     2.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.68264E-03 ppm1      9.046 ppm2      3.364 CV     1
 ASSI {  866}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      6.000     5.000     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.042 ppm2      2.522 CV     1
 ASSI {  867}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.500     2.000     2.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.94919E-03 ppm1      9.019 ppm2      2.606 CV     1
 OR {  867}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  868}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.600     2.100     2.100 peak   868 spectrum    1 weight  0.10000E+01 volume  0.78013E-03 ppm1      8.199 ppm2      2.600 CV     1
 OR {  868}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  869}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.200     2.800     1.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.27501E-03 ppm1      9.041 ppm2      4.530 CV     1
 ASSI {  870}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.800     2.300     2.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.55001E-03 ppm1      9.017 ppm2      0.775 CV     1
 ASSI {  871}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.000     1.700     1.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.20155E-02 ppm1      7.892 ppm2      0.779 CV     1
 ASSI {  872}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.955 ppm2      0.773 CV     1
 ASSI {  873}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      6.000     5.000     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.689 ppm2      1.119 CV     1
 ASSI {  874}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      6.000     5.000     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.955 ppm2      1.255 CV     1
 ASSI {  875}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.700     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.18659E-02 ppm1      7.610 ppm2      1.062 CV     1
 ASSI {  876}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.800     3.300     1.200 peak   876 spectrum    1 weight  0.10000E+01 volume  0.13653E-03 ppm1      7.663 ppm2      1.067 CV     1
 ASSI {  877}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.300     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.13068E-02 ppm1      8.716 ppm2      8.210 CV     1
 ASSI {  879}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.200     1.700     1.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.16253E-02 ppm1      8.714 ppm2      0.558 CV     1
 ASSI {  880}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.000     1.600     1.600 peak   880 spectrum    1 weight  0.10000E+01 volume  0.22560E-02 ppm1      8.859 ppm2      2.139 CV     1
 ASSI {  881}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.600     2.100     2.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.78668E-03 ppm1      8.859 ppm2      0.562 CV     1
 ASSI {  882}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.700     3.200     1.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.15278E-03 ppm1      7.233 ppm2      0.554 CV     1
 ASSI {  883}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      3.200     1.800     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.14758E-02 ppm1      7.893 ppm2      0.955 CV     1
 ASSI {  884}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      3.800     2.300     2.200 peak   884 spectrum    1 weight  0.10000E+01 volume  0.51036E-03 ppm1      7.390 ppm2      0.949 CV     1
 ASSI {  885}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 92   and name HE2 ))
      3.900     2.400     2.100 peak   885 spectrum    1 weight  0.10000E+01 volume  0.42974E-03 ppm1      7.807 ppm2      2.962 CV     1
 OR {  885}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 92   and name HE3 ))
 ASSI {  886}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     2.000     2.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.97522E-03 ppm1      7.486 ppm2      3.864 CV     1
 ASSI {  887}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.700     1.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      7.807 ppm2      3.858 CV     1
 ASSI {  888}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.900     1.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      7.807 ppm2      4.214 CV     1
 ASSI {  889}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.800     1.800 peak   889 spectrum    1 weight  0.10000E+01 volume  0.13198E-02 ppm1      7.233 ppm2      5.203 CV     1
 ASSI {  890}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.500     2.000     2.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.87117E-03 ppm1      7.891 ppm2      4.842 CV     1
 ASSI {  891}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA1 ))
      3.100     1.700     1.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      7.386 ppm2      5.023 CV     1
 ASSI {  892}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HA1 ))
      3.800     2.300     2.200 peak   892 spectrum    1 weight  0.10000E+01 volume  0.55457E-03 ppm1      7.892 ppm2      5.019 CV     1
 ASSI {  893}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     5.000     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.489 ppm2      8.388 CV     1
 ASSI {  894}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.600     1.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.33352E-03 ppm1      8.886 ppm2      9.038 CV     1
 ASSI {  895}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     5.000     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      4.283 CV     1
 ASSI {  896}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HG3 ))
      3.200     1.800     1.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      8.031 ppm2      1.420 CV     1
 OR {  896}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HG2 ))
 ASSI {  897}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 115  and name HG2%)
      3.400     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      8.363 ppm2      1.187 CV     1
 ASSI {  898}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      6.000     5.000     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.449 ppm2      2.634 CV     1
 ASSI {  899}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     5.000     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.712 ppm2      5.182 CV     1
 ASSI {  901}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.400     1.900     1.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      7.688 ppm2      8.097 CV     1
 ASSI {  902}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.500     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.94272E-03 ppm1      7.693 ppm2      4.678 CV     1
 ASSI {  903}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.000     1.700     1.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.20155E-02 ppm1      8.782 ppm2      2.322 CV     1
 ASSI {  904}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 102  and name HG2%)
      3.400     1.900     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.11052E-02 ppm1      8.787 ppm2      1.163 CV     1
 ASSI {  905}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HD21))
      6.000     5.000     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      7.422 CV     1
 ASSI {  906}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HD22))
      6.000     6.000     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.85168E-05 ppm1      8.621 ppm2      6.877 CV     1
 ASSI {  907}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.712 ppm2      3.892 CV     1
 ASSI {  908}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.400     3.000     1.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.21260E-03 ppm1      8.405 ppm2      7.598 CV     1
 ASSI {  909}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     5.000     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.406 ppm2      0.642 CV     1
 ASSI {  910}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      3.400     2.000     2.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      9.050 ppm2      1.407 CV     1
 ASSI {  911}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.600     1.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.23340E-02 ppm1      8.359 ppm2      6.024 CV     1
 ASSI {  912}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.700     1.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.30686E-03 ppm1      8.658 ppm2      8.063 CV     1
 ASSI {  913}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     2.000     2.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.85168E-03 ppm1      8.658 ppm2      8.371 CV     1
 ASSI {  914}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.000     2.500     2.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.40958E-03 ppm1      7.461 ppm2      1.875 CV     1
 ASSI {  915}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.700     2.200     2.200 peak   915 spectrum    1 weight  0.10000E+01 volume  0.64493E-03 ppm1      8.457 ppm2      2.906 CV     1
 ASSI {  916}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.818 ppm2      1.874 CV     1
 ASSI {  917}
   (( segid "    " and resid 57   and name HD22))
   (( segid "    " and resid 57   and name HD21))
      2.300     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.98824E-02 ppm1      6.896 ppm2      7.277 CV     1
 ASSI {  919}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      6.000     5.000     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.615 ppm2      2.317 CV     1
 OR {  919}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  920}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.887 ppm2      3.802 CV     1
 ASSI {  921}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.711 ppm2      3.808 CV     1
 ASSI {  922}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      4.100     2.600     1.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.31857E-03 ppm1      7.940 ppm2      0.653 CV     1
 ASSI {  923}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.300     2.800     1.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.25420E-03 ppm1      8.719 ppm2      9.683 CV     1
 ASSI {  925}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      5.600     4.400     0.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.54287E-04 ppm1      8.861 ppm2      8.206 CV     1
 ASSI {  926}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.100     2.600     1.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.35042E-03 ppm1      7.234 ppm2      8.225 CV     1
 ASSI {  927}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.600     1.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      7.698 ppm2      4.671 CV     1
 ASSI {  928}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HB% )
      2.400     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.82565E-02 ppm1      9.711 ppm2      1.601 CV     1
 ASSI {  932}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     1.400     1.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.45315E-02 ppm1      9.710 ppm2      4.803 CV     1
 ASSI {  933}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.500     1.500 peak   933 spectrum    1 weight  0.10000E+01 volume  0.33157E-02 ppm1      9.710 ppm2      4.280 CV     1
 ASSI {  934}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.500     2.000     2.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.85816E-03 ppm1      9.709 ppm2      4.571 CV     1
 ASSI {  935}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      6.000     5.000     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.711 ppm2      0.958 CV     1
 ASSI {  936}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.28931E-02 ppm1      6.683 ppm2      9.127 CV     1
 ASSI {  937}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     1.400     1.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.38488E-02 ppm1      6.681 ppm2      4.537 CV     1
 ASSI {  938}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      6.000     5.000     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.682 ppm2      4.658 CV     1
 ASSI {  939}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.600     2.100     2.100 peak   939 spectrum    1 weight  0.10000E+01 volume  0.75418E-03 ppm1      6.682 ppm2      4.187 CV     1
 ASSI {  940}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     5.000     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.682 ppm2      3.877 CV     1
 ASSI {  941}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      2.700     1.400     1.400 peak   941 spectrum    1 weight  0.10000E+01 volume  0.46290E-02 ppm1      6.682 ppm2      1.089 CV     1
 ASSI {  942}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.700     1.400     1.400 peak   942 spectrum    1 weight  0.10000E+01 volume  0.39594E-02 ppm1      6.682 ppm2      1.368 CV     1
 ASSI {  943}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.800     2.300     2.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.49866E-03 ppm1      6.680 ppm2      1.724 CV     1
 ASSI {  944}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.900     2.400     2.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.44924E-03 ppm1      6.681 ppm2      1.861 CV     1
 ASSI {  945}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     5.000     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.036 ppm2      0.640 CV     1
 ASSI {  946}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.621 ppm2      0.780 CV     1
 ASSI {  948}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 96   and name HB% )
      6.000     5.000     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.044 ppm2      1.112 CV     1
 ASSI {  949}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     2.100     2.100 peak   949 spectrum    1 weight  0.10000E+01 volume  0.70865E-03 ppm1      8.358 ppm2      5.556 CV     1
 ASSI {  950}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.600     2.100     2.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.72165E-03 ppm1      7.587 ppm2      5.367 CV     1
 ASSI {  951}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      4.700     3.300     1.300 peak   951 spectrum    1 weight  0.10000E+01 volume  0.14498E-03 ppm1      8.918 ppm2      0.801 CV     1
 ASSI {  952}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.900     2.400     2.100 peak   952 spectrum    1 weight  0.10000E+01 volume  0.45965E-03 ppm1      7.387 ppm2      4.111 CV     1
 ASSI {  953}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     5.000     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.578 ppm2      2.131 CV     1
 ASSI {  956}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.800     3.300     1.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.13978E-03 ppm1      7.980 ppm2      7.654 CV     1
 ASSI {  957}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.000     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      3.926 CV     1
 ASSI {  959}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      5.900     4.800     0.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.39788E-04 ppm1      7.445 ppm2      7.949 CV     1
 ASSI {  960}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     5.000     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.447 ppm2      3.786 CV     1
 ASSI {  961}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.600     1.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.35042E-03 ppm1      9.712 ppm2      7.956 CV     1
 ASSI {  962}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 88   and name HA1 ))
      3.700     2.300     2.300 peak   962 spectrum    1 weight  0.10000E+01 volume  0.58057E-03 ppm1      7.671 ppm2      5.019 CV     1
 ASSI {  964}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 17   and name HB% )
      3.700     2.200     2.200 peak   964 spectrum    1 weight  0.10000E+01 volume  0.58967E-03 ppm1      7.402 ppm2      0.953 CV     1
 ASSI {  965}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      3.800     2.300     2.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.55457E-03 ppm1      7.462 ppm2      0.713 CV     1
 ASSI {  966}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      3.700     2.200     2.200 peak   966 spectrum    1 weight  0.10000E+01 volume  0.66964E-03 ppm1      7.816 ppm2      1.495 CV     1
 ASSI {  967}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      3.500     2.100     2.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.82565E-03 ppm1      7.462 ppm2      1.481 CV     1
 ASSI {  968}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HG1%)
      3.900     2.400     2.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      7.231 ppm2      0.729 CV     1
 ASSI {  969}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.500     2.000     2.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.93618E-03 ppm1      9.434 ppm2      8.371 CV     1
 ASSI {  970}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      4.100     2.600     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.34002E-03 ppm1      8.916 ppm2      2.975 CV     1
 ASSI {  971}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.800     1.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.27631E-03 ppm1      7.428 ppm2      8.910 CV     1
 ASSI {  972}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.500     2.100     2.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.80617E-03 ppm1      8.167 ppm2      1.349 CV     1
 ASSI {  973}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     2.100     2.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.71515E-03 ppm1      8.163 ppm2      4.060 CV     1
 ASSI {  974}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      4.100     2.600     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.36148E-03 ppm1      9.006 ppm2      1.667 CV     1
 ASSI {  975}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.800     2.300     2.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.54351E-03 ppm1      9.006 ppm2      4.326 CV     1
 ASSI {  976}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.900     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      8.040 ppm2      4.956 CV     1
 ASSI {  977}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.800     2.300     2.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.50255E-03 ppm1      8.904 ppm2      1.658 CV     1
 ASSI {  978}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.900     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      8.903 ppm2      2.908 CV     1
 ASSI {  979}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      3.500     2.000     2.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.88419E-03 ppm1      8.376 ppm2      1.306 CV     1
 ASSI {  980}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     5.000     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      1.306 CV     1
 ASSI {  981}
   (( segid "    " and resid 57   and name HD22))
   (  segid "    " and resid 103  and name HG2%)
      3.700     2.200     2.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.67614E-03 ppm1      6.895 ppm2      1.192 CV     1
 ASSI {  982}
   (( segid "    " and resid 57   and name HD22))
   (( segid "    " and resid 57   and name HB3 ))
      3.500     2.100     2.100 peak   982 spectrum    1 weight  0.10000E+01 volume  0.81264E-03 ppm1      6.892 ppm2      2.395 CV     1
 ASSI {  983}
   (( segid "    " and resid 57   and name HD21))
   (( segid "    " and resid 57   and name HB3 ))
      3.500     2.000     2.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.93618E-03 ppm1      7.286 ppm2      2.382 CV     1
 ASSI {  984}
   (( segid "    " and resid 57   and name HD21))
   (( segid "    " and resid 57   and name HB2 ))
      3.300     1.900     1.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.11963E-02 ppm1      7.288 ppm2      2.999 CV     1
 ASSI {  985}
   (( segid "    " and resid 57   and name HD21))
   (( segid "    " and resid 103  and name HA  ))
      4.500     3.000     1.500 peak   985 spectrum    1 weight  0.10000E+01 volume  0.20739E-03 ppm1      7.286 ppm2      4.336 CV     1
 ASSI {  986}
   (( segid "    " and resid 57   and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      3.400     2.000     2.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      6.898 ppm2      4.329 CV     1
 ASSI {  987}
   (( segid "    " and resid 57   and name HD21))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.800     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      7.291 ppm2      4.869 CV     1
 ASSI {  988}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.400     1.900     1.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      9.042 ppm2      1.446 CV     1
 ASSI {  989}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HN  ))
      3.700     2.200     2.200 peak   989 spectrum    1 weight  0.10000E+01 volume  0.60072E-03 ppm1      6.988 ppm2      7.892 CV     1
 ASSI {  990}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HA  ))
      3.700     2.200     2.200 peak   990 spectrum    1 weight  0.10000E+01 volume  0.64493E-03 ppm1      6.989 ppm2      5.061 CV     1
 ASSI {  991}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      4.600     3.100     1.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.17489E-03 ppm1      6.989 ppm2      3.876 CV     1
 ASSI {  992}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 65   and name HB3 ))
      4.500     3.000     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.19699E-03 ppm1      6.991 ppm2      3.765 CV     1
 ASSI {  993}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 59   and name HG  ))
      3.700     2.200     2.200 peak   993 spectrum    1 weight  0.10000E+01 volume  0.66964E-03 ppm1      6.989 ppm2      1.439 CV     1
 ASSI {  994}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 59   and name HB2 ))
      5.500     4.300     0.500 peak   994 spectrum    1 weight  0.10000E+01 volume  0.59097E-04 ppm1      6.991 ppm2      1.712 CV     1
 ASSI {  995}
   (( segid "    " and resid 62   and name HD21))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.990 ppm2      0.778 CV     1
 ASSI {  996}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     5.000     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.892 ppm2      4.069 CV     1
 ASSI {  997}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.800     2.300     2.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.56107E-03 ppm1      8.959 ppm2      1.732 CV     1
 ASSI {  998}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.666 ppm2      0.785 CV     1
 ASSI {  999}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.300     2.800     1.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.26070E-03 ppm1      7.009 ppm2      3.235 CV     1
 ASSI { 1000}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     5.000     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.807 ppm2      8.871 CV     1
 ASSI { 1001}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HD2 ))
      3.700     2.200     2.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.59683E-03 ppm1      7.385 ppm2      3.646 CV     1
 ASSI { 1002}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 116  and name HD2 ))
      6.000     5.000     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.219 ppm2      1.675 CV     1
 OR { 1002}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 116  and name HD3 ))
 ASSI { 1003}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HD22))
      4.100     2.600     1.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.34392E-03 ppm1      7.589 ppm2      7.151 CV     1
 ASSI { 1005}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD22))
      4.400     2.900     1.600 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.22430E-03 ppm1      8.449 ppm2      6.878 CV     1
 ASSI { 1006}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD21))
      3.900     2.400     2.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.43884E-03 ppm1      8.447 ppm2      7.585 CV     1
 ASSI { 1007}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      6.000     5.000     0.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.767 ppm2      0.779 CV     1
 ASSI { 1008}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     5.000     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.485 ppm2      4.212 CV     1
 ASSI { 1009}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 93   and name HB3 ))
      6.000     5.000     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      2.981 CV     1
 ASSI { 1010}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HB3 ))
      6.000     5.000     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.159 ppm2      2.980 CV     1
 ASSI { 1011}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HB2 ))
      6.000     5.000     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.160 ppm2      3.181 CV     1
 ASSI { 1012}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 93   and name HB2 ))
      6.000     5.000     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.607 ppm2      3.185 CV     1
 ASSI { 1013}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 93   and name HD22))
      6.000     5.000     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.608 ppm2      7.147 CV     1
 ASSI { 1015}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HN  ))
      6.000     5.000     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.164 ppm2      9.184 CV     1
 ASSI { 1016}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 93   and name HN  ))
      6.000     5.000     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.610 ppm2      9.181 CV     1
 ASSI { 1017}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 36   and name HA  ))
      6.000     5.000     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.162 ppm2      5.382 CV     1
 ASSI { 1018}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 36   and name HA  ))
      6.000     5.000     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.608 ppm2      5.386 CV     1
 ASSI { 1019}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HA  ))
      6.000     5.000     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.159 ppm2      5.082 CV     1
 ASSI { 1020}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 93   and name HA  ))
      6.000     5.000     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      5.081 CV     1
 ASSI { 1021}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.159 ppm2      1.303 CV     1
 ASSI { 1022}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.160 ppm2      1.562 CV     1
 ASSI { 1023}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     5.000     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.607 ppm2      1.302 CV     1
 ASSI { 1024}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.608 ppm2      1.575 CV     1
 ASSI { 1025}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 104  and name HD22))
      6.000     5.000     0.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.422 ppm2      6.874 CV     1
 ASSI { 1027}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HD22))
      6.000     5.000     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.509 ppm2      6.778 CV     1
 ASSI { 1028}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.000     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.789 ppm2      7.494 CV     1
 ASSI { 1029}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     5.000     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.509 ppm2      2.831 CV     1
 ASSI { 1031}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      6.000     5.000     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.938 ppm2      0.782 CV     1
 ASSI { 1032}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      0.805 CV     1
 ASSI { 1033}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HE22))
      6.000     5.000     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.400 ppm2      6.576 CV     1
 ASSI { 1035}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HG3 ))
      3.400     2.000     2.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      7.400 ppm2      2.128 CV     1
 ASSI { 1036}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     5.000     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.387 ppm2      2.490 CV     1
 ASSI { 1037}
   (( segid "    " and resid 21   and name HE21))
   (  segid "    " and resid 95   and name HG1%)
      6.000     5.000     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.394 ppm2      0.904 CV     1
 ASSI { 1038}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.237 ppm2      4.006 CV     1
 OR { 1038}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
 ASSI { 1039}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HD21))
      6.000     5.000     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.943 ppm2      7.412 CV     1
 ASSI { 1040}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HD22))
      6.000     5.000     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.944 ppm2      6.876 CV     1
 ASSI { 1043}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.422 ppm2      9.028 CV     1
 ASSI { 1044}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.887 ppm2      9.028 CV     1
 ASSI { 1045}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 104  and name HA  ))
      6.000     5.000     0.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.423 ppm2      4.876 CV     1
 ASSI { 1046}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 104  and name HA  ))
      6.000     5.000     0.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.890 ppm2      4.874 CV     1
 ASSI { 1047}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.420 ppm2      4.335 CV     1
 ASSI { 1048}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.890 ppm2      4.335 CV     1
 ASSI { 1049}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 60   and name HA  ))
      6.000     5.000     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.421 ppm2      4.072 CV     1
 ASSI { 1050}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.425 ppm2      3.807 CV     1
 ASSI { 1051}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     5.000     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.881 ppm2      3.798 CV     1
 ASSI { 1052}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     5.000     0.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.423 ppm2      2.602 CV     1
 OR { 1052}
   (( segid "    " and resid 104  and name HD21))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI { 1053}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     5.000     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.886 ppm2      2.604 CV     1
 OR { 1053}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI { 1054}
   (( segid "    " and resid 104  and name HD21))
   (  segid "    " and resid 103  and name HG2%)
      6.000     5.000     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.424 ppm2      1.188 CV     1
 ASSI { 1055}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.000     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.388 ppm2      8.344 CV     1
 ASSI { 1056}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.000     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.388 ppm2      8.101 CV     1
 ASSI { 1057}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.000     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.389 ppm2      4.082 CV     1
 ASSI { 1058}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.000     0.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.725 ppm2      4.082 CV     1
 ASSI { 1059}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.000     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.725 ppm2      4.445 CV     1
 ASSI { 1060}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.000     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.389 ppm2      4.448 CV     1
 ASSI { 1061}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 71   and name HB3 ))
      6.000     5.000     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.387 ppm2      3.919 CV     1
 OR { 1061}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 1062}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 71   and name HB3 ))
      6.000     5.000     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.726 ppm2      3.916 CV     1
 OR { 1062}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 1063}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     5.000     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.724 ppm2      2.499 CV     1
 ASSI { 1064}
   (( segid "    " and resid 75   and name HE21))
   (( segid "    " and resid 75   and name HG3 ))
      6.000     5.000     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.388 ppm2      2.327 CV     1
 ASSI { 1065}
   (( segid "    " and resid 75   and name HE22))
   (( segid "    " and resid 75   and name HG3 ))
      6.000     5.000     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.726 ppm2      2.332 CV     1
 ASSI { 1066}
   (( segid "    " and resid 75   and name HE22))
   (  segid "    " and resid 53   and name HB% )
      6.000     5.000     0.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.726 ppm2      1.480 CV     1
 ASSI { 1067}
   (( segid "    " and resid 75   and name HE21))
   (  segid "    " and resid 53   and name HB% )
      6.000     5.000     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.388 ppm2      1.479 CV     1
 ASSI { 1068}
   (( segid "    " and resid 75   and name HE22))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.723 ppm2      0.973 CV     1
 ASSI { 1069}
   (( segid "    " and resid 75   and name HE22))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.728 ppm2      0.798 CV     1
 ASSI { 1070}
   (( segid "    " and resid 75   and name HE21))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.000     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.386 ppm2      0.796 CV     1
 ASSI { 1071}
   (( segid "    " and resid 75   and name HE21))
   (  segid "    " and resid 72   and name HD2%)
      6.000     5.000     0.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.386 ppm2      0.977 CV     1
 ASSI { 1072}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HN  ))
      3.800     2.300     2.200 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.57147E-03 ppm1      6.890 ppm2      7.887 CV     1
 ASSI { 1073}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HD21))
      6.000     5.000     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.892 ppm2      6.987 CV     1
 ASSI { 1075}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HA  ))
      6.000     5.000     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.893 ppm2      5.057 CV     1
 ASSI { 1076}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     5.000     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.894 ppm2      3.876 CV     1
 ASSI { 1077}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     5.000     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.894 ppm2      3.762 CV     1
 ASSI { 1078}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.891 ppm2      2.377 CV     1
 ASSI { 1079}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.897 ppm2      2.669 CV     1
 ASSI { 1080}
   (( segid "    " and resid 62   and name HD22))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.892 ppm2      0.779 CV     1
 ASSI { 1081}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 59   and name HG  ))
      6.000     5.000     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.892 ppm2      1.445 CV     1
 ASSI { 1082}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      6.000     5.000     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.101 ppm2      7.272 CV     1
 ASSI { 1083}
   (( segid "    " and resid 57   and name HD22))
   (( segid "    " and resid 57   and name HB2 ))
      6.000     5.000     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.893 ppm2      2.997 CV     1
 ASSI { 1084}
   (( segid "    " and resid 57   and name HD22))
   (( segid "    " and resid 102  and name HA  ))
      6.000     5.000     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.893 ppm2      4.676 CV     1
 ASSI { 1085}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.629 ppm2      8.149 CV     1
 ASSI { 1086}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.947 ppm2      8.150 CV     1
 ASSI { 1087}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HA  ))
      6.000     5.000     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.630 ppm2      4.681 CV     1
 ASSI { 1088}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HN  ))
      6.000     5.000     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.537 ppm2      8.162 CV     1
 ASSI { 1089}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 42   and name HN  ))
      6.000     5.000     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.857 ppm2      8.152 CV     1
 ASSI { 1090}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HA  ))
      6.000     5.000     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.536 ppm2      4.381 CV     1
 ASSI { 1091}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 39   and name HA  ))
      6.000     5.000     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.536 ppm2      4.068 CV     1
 ASSI { 1093}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     5.000     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      4.730 CV     1
 ASSI { 1094}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      6.000     5.000     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.232 ppm2      1.916 CV     1
 ASSI { 1095}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG12))
      6.000     5.000     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.231 ppm2      1.626 CV     1
 ASSI { 1096}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG13))
      6.000     5.000     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      1.215 CV     1
 ASSI { 1097}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      6.000     5.000     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.232 ppm2      1.004 CV     1
 ASSI { 1098}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     5.000     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.237 ppm2      0.725 CV     1
 ASSI { 1099}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.235 ppm2      9.167 CV     1
 ASSI { 1100}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.237 ppm2      8.455 CV     1
 ASSI { 1102}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HD22))
      6.000     5.000     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.699 ppm2      6.785 CV     1
 ASSI { 1103}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HA  ))
      6.000     5.000     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.790 ppm2      4.668 CV     1
 ASSI { 1104}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HA  ))
      6.000     5.000     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.508 ppm2      4.663 CV     1
 ASSI { 1105}
   (( segid "    " and resid 43   and name HD22))
   (  segid "    " and resid 39   and name HB% )
      6.000     5.000     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.789 ppm2      1.350 CV     1
 ASSI { 1106}
   (( segid "    " and resid 43   and name HD21))
   (  segid "    " and resid 39   and name HB% )
      6.000     5.000     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.507 ppm2      1.350 CV     1
 ASSI { 1108}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HD22))
      6.000     5.000     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.628 ppm2      6.944 CV     1
 ASSI { 1110}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 10   and name HA  ))
      6.000     5.000     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.630 ppm2      4.312 CV     1
 ASSI { 1111}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     5.000     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.628 ppm2      2.766 CV     1
 ASSI { 1112}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     5.000     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.628 ppm2      2.844 CV     1
 ASSI { 1115}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 109  and name HN  ))
      6.000     5.000     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.867 ppm2      8.406 CV     1
 ASSI { 1116}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 109  and name HA  ))
      6.000     5.000     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.869 ppm2      4.659 CV     1
 ASSI { 1117}
   (( segid "    " and resid 110  and name HD21))
   (( segid "    " and resid 110  and name HA  ))
      6.000     5.000     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      4.689 CV     1
 ASSI { 1118}
   (( segid "    " and resid 110  and name HD21))
   (  segid "    " and resid 107  and name HB% )
      6.000     5.000     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      1.408 CV     1
 ASSI { 1119}
   (( segid "    " and resid 42   and name HD21))
   (  segid "    " and resid 80   and name HB% )
      6.000     5.000     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.531 ppm2      1.381 CV     1
 ASSI { 1120}
   (( segid "    " and resid 110  and name HD21))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      0.908 CV     1
 ASSI { 1121}
   (( segid "    " and resid 110  and name HD21))
   (  segid "    " and resid 108  and name HG2%)
      6.000     5.000     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      0.852 CV     1
 ASSI { 1122}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HD22))
      6.000     5.000     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.536 ppm2      6.845 CV     1
 ASSI { 1123}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 41   and name HB  ))
      6.000     5.000     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.862 ppm2      4.337 CV     1
 ASSI { 1124}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     5.000     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.537 ppm2      2.730 CV     1
 ASSI { 1125}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     5.000     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.537 ppm2      2.781 CV     1
 ASSI { 1126}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      4.000     2.500     2.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.41933E-03 ppm1      7.668 ppm2      1.941 CV     1
 ASSI { 1127}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     5.000     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.000 ppm2      1.641 CV     1
 OR { 1127}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI { 1128}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     2.400     2.100 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.46810E-03 ppm1      7.999 ppm2      1.951 CV     1
 ASSI { 1130}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 90   and name HG1%)
      6.000     5.000     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.451 ppm2      0.688 CV     1
 ASSI { 1131}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     2.300     2.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.56301E-03 ppm1      8.407 ppm2      5.967 CV     1
 ASSI { 1132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      4.700     3.300     1.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.14823E-03 ppm1      7.674 ppm2      3.181 CV     1
 ASSI { 1133}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     5.000     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.004 ppm2      2.283 CV     1
 ASSI { 1135}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG  ))
      2.900     1.500     1.500 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27501E-02 ppm1      6.988 ppm2      1.457 CV     1
 ASSI { 1136}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HD2 ))
      6.000     5.000     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.176 ppm2      3.698 CV     1
 ASSI { 1137}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     5.000     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.172 ppm2      2.153 CV     1
 ASSI { 1138}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.800     1.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.15148E-02 ppm1      9.433 ppm2      5.962 CV     1
 ASSI { 1139}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      6.000     5.000     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.805 ppm2      2.134 CV     1
 ASSI { 1140}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 82   and name HG1%)
      6.000     5.000     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.225 ppm2      0.740 CV     1
 ASSI { 1141}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      6.000     5.000     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.224 ppm2      0.783 CV     1
 ASSI { 1142}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     5.000     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.711 ppm2      0.900 CV     1
 ASSI { 1143}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.622 ppm2      8.361 CV     1
 ASSI { 1144}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.700     1.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.16514E-02 ppm1      9.045 ppm2      7.958 CV     1
 ASSI { 1146}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.600     3.100     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.17684E-03 ppm1      9.692 ppm2      8.749 CV     1
 ASSI { 1148}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.900     2.400     2.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.46485E-03 ppm1      7.386 ppm2      9.225 CV     1
 ASSI { 1149}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HD3 ))
      3.600     2.100     2.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.76065E-03 ppm1      7.387 ppm2      3.569 CV     1
 ASSI { 1150}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
      6.000     5.000     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.536 ppm2      4.095 CV     1
 ASSI { 1151}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.200     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.30231E-04 ppm1      8.622 ppm2      3.891 CV     1
 ASSI { 1152}
   (( segid "    " and resid 104  and name HD22))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     5.000     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.879 ppm2      3.884 CV     1
 ASSI { 1153}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     5.000     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      3.896 CV     1
 ASSI { 1154}
   (( segid "    " and resid 110  and name HD21))
   (( segid "    " and resid 109  and name HN  ))
      6.000     5.000     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.601 ppm2      8.396 CV     1
 ASSI { 1155}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.600     2.100     2.100 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.74115E-03 ppm1      7.669 ppm2      2.351 CV     1
 ASSI { 1156}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     5.000     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.696 ppm2      4.000 CV     1
 OR { 1156}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1157}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.000     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.698 ppm2      3.918 CV     1
 ASSI { 1159}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      3.800     2.300     2.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.52076E-03 ppm1      7.402 ppm2      1.019 CV     1
 ASSI { 1160}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     5.000     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.193 ppm2      4.388 CV     1
 ASSI { 1161}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.000     0.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.682 ppm2      4.280 CV     1
 ASSI { 1162}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     5.000     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      4.004 CV     1
 OR { 1162}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1163}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     5.000     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.159 ppm2      1.623 CV     1
 ASSI { 1164}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HG2 ))
      3.600     2.100     2.100 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.76065E-03 ppm1      7.399 ppm2      2.508 CV     1
 ASSI { 1165}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      2.832 CV     1
 ASSI { 1166}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      6.000     5.000     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.233 ppm2      2.770 CV     1
 ASSI { 1167}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG1%)
      2.900     1.600     1.600 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.25356E-02 ppm1      8.716 ppm2      0.734 CV     1
 ASSI { 1168}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG1%)
      6.000     5.000     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.886 ppm2      0.907 CV     1
 ASSI { 1169}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     2.000     2.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.85168E-03 ppm1      7.665 ppm2      8.690 CV     1
 ASSI { 1170}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     5.000     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.446 ppm2      1.863 CV     1
 ASSI { 1171}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      6.000     5.000     0.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.447 ppm2      1.636 CV     1
 ASSI { 1172}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.000     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      4.278 CV     1
 ASSI { 1173}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     5.000     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.136 ppm2      4.194 CV     1
 ASSI { 1174}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.044 ppm2      7.892 CV     1
 ASSI { 1175}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      6.000     5.000     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.007 ppm2      2.072 CV     1
 ASSI { 1176}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      6.000     5.000     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.223 ppm2      2.141 CV     1
 ASSI { 1177}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HB% )
      6.000     5.000     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2      1.389 CV     1
 ASSI { 1178}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     5.000     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.043 ppm2      2.599 CV     1
 OR { 1178}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI { 1179}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 110  and name HA  ))
      6.000     5.000     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.869 ppm2      4.688 CV     1
 ASSI { 1181}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HD3 ))
      6.000     5.000     0.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.191 ppm2      1.562 CV     1
 ASSI { 1182}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      6.000     5.000     0.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      2.129 CV     1
 ASSI { 1183}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      6.000     5.000     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.194 ppm2      2.455 CV     1
 ASSI { 1184}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     5.000     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.224 ppm2      5.070 CV     1
 ASSI { 1185}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     5.000     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.009 ppm2      0.715 CV     1
 ASSI { 1187}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 90   and name HB  ))
      6.000     5.000     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.577 ppm2      2.209 CV     1
 ASSI { 1188}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      6.000     5.000     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.108 ppm2      4.672 CV     1
 ASSI { 1189}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     5.000     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.693 ppm2      4.698 CV     1
 ASSI { 1190}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     5.000     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.697 ppm2      8.359 CV     1
 ASSI { 1191}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     5.000     0.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.199 ppm2      8.692 CV     1
 ASSI { 1193}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     5.000     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.695 ppm2      1.973 CV     1
 OR { 1193}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 1194}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
      6.000     5.000     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.693 ppm2      1.953 CV     1
 ASSI { 1195}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     5.000     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.521 ppm2      4.420 CV     1
 ASSI { 1196}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     5.000     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.518 ppm2      2.298 CV     1
 ASSI { 1197}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     5.000     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.516 ppm2      1.911 CV     1
 ASSI { 1198}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HD2 ))
      6.000     5.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.518 ppm2      3.860 CV     1
 ASSI { 1199}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     5.000     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.518 ppm2      3.617 CV     1
 ASSI { 1200}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     5.000     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      2.013 CV     1
 OR { 1200}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI { 1201}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.236 ppm2      8.525 CV     1
 ASSI { 1202}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     5.000     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.518 ppm2      4.242 CV     1
 ASSI { 1203}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     5.000     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      4.264 CV     1
 ASSI { 1204}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HB% )
      6.000     5.000     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.515 ppm2      1.411 CV     1
 ASSI { 1205}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HB% )
      6.000     5.000     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      1.413 CV     1
 ASSI { 1207}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.000     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      4.348 CV     1
 ASSI { 1208}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.000     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.174 ppm2      4.347 CV     1
 ASSI { 1209}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     5.000     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      3.923 CV     1
 ASSI { 1210}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     5.000     0.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.172 ppm2      3.933 CV     1
 ASSI { 1211}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     5.000     0.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.234 ppm2      3.863 CV     1
 ASSI { 1212}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     5.000     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.174 ppm2      3.862 CV     1
 ASSI { 1213}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     5.000     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.177 ppm2      4.299 CV     1
 ASSI { 1214}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     5.000     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.093 ppm2      4.317 CV     1
 ASSI { 1215}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     5.000     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.173 ppm2      1.388 CV     1
 ASSI { 1216}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     5.000     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.093 ppm2      1.401 CV     1
 ASSI { 1217}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     5.000     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.090 ppm2      4.214 CV     1
 ASSI { 1218}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     5.000     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.148 ppm2      4.224 CV     1
 ASSI { 1219}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      6.000     5.000     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.090 ppm2      1.356 CV     1
 ASSI { 1220}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      6.000     5.000     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.148 ppm2      1.366 CV     1
 ASSI { 1221}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     5.000     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      4.144 CV     1
 ASSI { 1222}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB3 ))
      6.000     5.000     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      3.901 CV     1
 ASSI { 1223}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      6.000     5.000     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      1.558 CV     1
 ASSI { 1224}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG  ))
      6.000     5.000     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      1.674 CV     1
 ASSI { 1225}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     5.000     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      4.773 CV     1
 ASSI { 1226}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      6.000     5.000     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.720 ppm2      1.126 CV     1
 ASSI { 1227}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      6.000     5.000     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.490 ppm2      1.122 CV     1
 ASSI { 1228}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     5.000     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.720 ppm2      4.642 CV     1
 ASSI { 1229}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      6.000     5.000     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.720 ppm2      4.199 CV     1
 ASSI { 1230}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      6.000     5.000     0.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.718 ppm2      0.924 CV     1
 ASSI { 1231}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     5.000     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.719 ppm2      2.434 CV     1
 ASSI { 1232}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.720 ppm2      8.476 CV     1
 ASSI { 1233}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.725 ppm2      7.437 CV     1
 ASSI { 1234}
   (( segid "    " and resid 28   and name HD22))
   (( segid "    " and resid 28   and name HD21))
      6.000     5.000     0.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.099 ppm2      7.773 CV     1
 ASSI { 1235}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 28   and name HA  ))
      6.000     5.000     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.785 ppm2      4.583 CV     1
 ASSI { 1236}
   (( segid "    " and resid 28   and name HD22))
   (( segid "    " and resid 28   and name HA  ))
      6.000     5.000     0.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.099 ppm2      4.586 CV     1
 ASSI { 1237}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 28   and name HN  ))
      6.000     5.000     0.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.785 ppm2      8.621 CV     1
 ASSI { 1238}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      6.000     5.000     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.348 ppm2      1.713 CV     1
 ASSI { 1239}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      6.000     5.000     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.490 ppm2      3.934 CV     1
 ASSI { 1240}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     5.000     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.149 ppm2      1.392 CV     1
 ASSI { 1241}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     5.000     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.147 ppm2      1.316 CV     1
 ASSI { 1242}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     5.000     0.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.636 ppm2      4.591 CV     1
 ASSI { 1243}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.636 ppm2      2.826 CV     1
 ASSI { 1245}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     5.000     0.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.638 ppm2      8.249 CV     1
 ASSI { 1246}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.637 ppm2      4.003 CV     1
 OR { 1246}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
 ASSI { 1247}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      6.000     5.000     0.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      0.998 CV     1
 ASSI { 1248}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 32   and name HG13))
      6.000     5.000     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      1.197 CV     1
 ASSI { 1249}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      6.000     5.000     0.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      0.730 CV     1
 ASSI { 1250}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.000     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.917 ppm2      7.613 CV     1
 ASSI { 1252}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     5.000     0.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.713 ppm2      5.052 CV     1
 ASSI { 1253}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     5.000     0.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.494 ppm2      2.329 CV     1
 ASSI { 1254}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     5.000     0.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.494 ppm2      2.440 CV     1
 ASSI { 1255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.721 ppm2      2.036 CV     1
 ASSI { 1256}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.000     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.719 ppm2      2.173 CV     1
 ASSI { 1259}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 51   and name HD2%)
      6.000     5.000     0.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.691 ppm2      0.848 CV     1

VARS   RESID RESNAME PHI PSI DPHI DPSI DIST COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %2d %s

   1 S 9999.000 9999.000    0.000    0.000    0.000  0 None
   2 L  -98.000   -1.000   18.000   28.000   71.590  6 Warn
   3 P  -66.000  146.000    8.000    6.000   49.970  5 Warn
   4 A  -83.000  135.000   14.000   36.000   38.720  6 Warn
   5 S -102.000  143.000   44.000   13.000   30.770  6 Warn
   6 A  -92.000  142.000   40.000   16.000   28.920  5 Warn
   7 A  -82.000  142.000   22.000   32.000   61.780  6 Warn
   8 K  -75.000  -21.000   16.000   10.000   48.980  8 Warn
   9 N -101.000  120.000   32.000   30.000   41.990  5 Warn
  10 A -103.000  134.000   30.000   18.000   32.890  8 Warn
  11 K  -88.000  119.000   12.000   28.000   64.570  8 Warn
  12 L  -58.000  -32.000   10.000   17.000   48.230  9 Warn
  13 A  -72.000  -22.000   12.000   25.000   66.030  5 Warn
  14 T -103.000  128.000   27.000   33.000   56.400  7 Warn
  15 S  -90.000   -6.000   26.000   20.000   72.520  8 Warn
  16 A  -67.000  -27.000   12.000   20.000   45.430  8 Warn
  17 A  -83.000  142.000   31.000    8.000   39.540  3 Warn
  18 F  -75.000  -21.000   17.000   26.000   35.940 10 Good
  19 A  -63.000  -32.000    4.000   16.000   36.960 10 Good
  20 K  -73.000  -31.000   16.000   17.000   29.710 10 Good
  21 Q  -68.000  -29.000   15.000   15.000   28.930 10 Good
  22 A  -94.000    6.000   13.000   12.000   26.600 10 Good
  23 E   69.000   17.000   25.000   30.000   34.200  8 Warn
  24 G -120.000  148.000   39.000   18.000   35.740  4 Warn
  25 T -126.000  147.000   30.000   19.000   31.580  7 Warn
  26 T  -95.000  131.000   13.000   16.000   36.730  9 Good
  27 C -133.000  157.000   13.000   12.000   34.030  9 Good
  28 N  -88.000  116.000   15.000   25.000   72.320  6 Warn
  29 V 9999.000 9999.000    0.000    0.000    0.000  0 None
  30 G 9999.000 9999.000    0.000    0.000    0.000  0 None
  31 S 9999.000 9999.000    0.000    0.000    0.000  0 None
  32 I -102.000  123.000    8.000    9.000   66.220 10 Good
  33 A -126.000  160.000   11.000    6.000   46.380 10 Good
  34 C -126.000  152.000   16.000    9.000   35.060 10 Good
  35 C -129.000  148.000   29.000   13.000   37.010 10 Good
  36 N -109.000  135.000   26.000   12.000   38.550  9 Good
  37 S -105.000  146.000   31.000   33.000   67.550 10 Good
  38 P  -52.000  -38.000    4.000    9.000   52.230  9 Warn
  39 A  -62.000  -36.000    5.000   14.000   40.790 10 Good
  40 E  -88.000   -8.000   24.000   16.000   33.450  6 Warn
  41 T  -64.000  -23.000    8.000    9.000   25.890 10 Good
  42 N  -76.000  -11.000   14.000   12.000   28.310 10 Good
  43 N  -99.000   15.000    9.000   14.000   28.420  7 Warn
  44 D -106.000  135.000   16.000   19.000   33.270  9 Good
  45 S  -64.000  -30.000   13.000   19.000   35.160  6 Warn
  46 L  -69.000  -30.000   11.000   20.000   32.700  9 Good
  47 L  -62.000  -39.000    4.000    9.000   26.000 10 Good
  48 S  -64.000  -34.000    5.000   12.000   31.670 10 Good
  49 G  -72.000  -35.000    9.000    8.000   33.480  7 Warn
  50 L  -65.000  -37.000    7.000   14.000   32.060 10 Good
  51 L  -67.000  -30.000   13.000   22.000   33.600  9 Good
  52 G  -75.000  -18.000   17.000   12.000   35.110  7 Warn
  53 A  -96.000   18.000   11.000   19.000   34.610  7 Warn
  54 G   93.000    3.000    9.000   17.000   32.780  7 Warn
  55 L  -84.000   -7.000   18.000   18.000   36.080  7 Warn
  56 L -116.000  155.000   23.000   12.000   32.840  7 Warn
  57 N -112.000  154.000   22.000   13.000   38.380 10 Good
  58 G -115.000  153.000   24.000   33.000   35.650  5 Warn
  59 L -102.000  127.000   18.000   20.000   33.280  9 Good
  60 S  -81.000  119.000   17.000   21.000   35.230 10 Good
  61 G -111.000  152.000   15.000   29.000   39.560  6 Warn
  62 N -100.000  117.000   14.000   12.000   40.080 10 Good
  63 T  -93.000  116.000   26.000   22.000   42.040 10 Good
  64 G -131.000  171.000   21.000   20.000   40.820  6 Warn
  65 S -105.000  137.000   23.000   16.000   30.510  7 Warn
  66 A -119.000  143.000   22.000   20.000   30.710 10 Good
  67 C -133.000  154.000   11.000   12.000   26.580 10 Good
  68 A -136.000  150.000   15.000   12.000   30.660 10 Good
  69 K  -86.000  131.000   13.000   33.000   63.300  9 Good
  70 A  -61.000  -29.000   10.000   17.000   51.960  9 Warn
  71 S  -69.000  -25.000    9.000   17.000   45.550  8 Warn
  72 L  -70.000  -38.000    7.000    7.000   33.680 10 Good
  73 I  -62.000  -39.000    3.000    8.000   30.970 10 Good
  74 D  -72.000  -17.000   14.000   22.000   25.870 10 Good
  75 Q  -68.000  -25.000   13.000   14.000   28.960 10 Good
  76 L  -91.000    9.000   11.000   10.000   30.240  8 Warn
  77 G   72.000   19.000   15.000   15.000   39.480 10 Good
  78 L  -89.000  100.000   23.000   48.000   41.900  5 Warn
  79 L  -73.000  -13.000   27.000   39.000   39.610  5 Warn
  80 A  -70.000  -24.000   12.000   10.000   32.120 10 Good
  81 L  -92.000  -17.000   12.000   17.000   32.030  8 Warn
  82 V -137.000  161.000   18.000   11.000   29.040 10 Good
  83 D -126.000  144.000   21.000   16.000   29.600  9 Good
  84 H -107.000  139.000   31.000   33.000   30.720 10 Good
  85 T -113.000  164.000   24.000   13.000   33.220  9 Good
  86 E  -64.000  -21.000    8.000   14.000   33.980  8 Warn
  87 E -100.000    8.000    8.000   11.000   41.610  8 Warn
  88 G  -93.000  155.000   19.000   35.000   73.850  4 Warn
  89 P  -91.000  147.000   33.000   19.000   56.750  7 Warn
  90 V -112.000  149.000   20.000   31.000   44.650  8 Warn
  91 C -118.000  147.000   25.000   15.000   32.000 10 Good
  92 K  -66.000  -23.000   27.000   26.000   26.620  5 Warn
  93 N -105.000  159.000   36.000   19.000   23.610  5 Warn
  94 I -106.000  125.000   16.000   12.000   28.440 10 Good
  95 V  -95.000  122.000   12.000   12.000   32.120 10 Good
  96 A -122.000  145.000   16.000   16.000   35.880 10 Good
  97 C -126.000  134.000   10.000   13.000   44.210 10 Good
  98 C -101.000  127.000   27.000   25.000   76.600 10 Good
  99 P  -87.000  143.000   30.000   19.000   60.330 10 Good
 100 E  -83.000  135.000   21.000   19.000   45.770  7 Warn
 101 G -104.000  142.000   20.000   15.000   40.390  5 Warn
 102 T -127.000  148.000   28.000   19.000   38.120  9 Good
 103 T -102.000  152.000   35.000   25.000   36.980  4 Warn
 104 N -103.000  138.000   25.000   21.000   38.470  9 Good
 105 C -136.000  166.000   11.000   11.000   33.260 10 Good
 106 V -111.000  133.000   22.000   16.000   34.010 10 Good
 107 A  -87.000  122.000   10.000   21.000   30.240  8 Warn
 108 V -118.000  140.000   33.000   10.000   33.840  8 Warn
 109 D  -94.000  140.000   34.000   13.000   30.640  6 Warn
 110 N  -88.000  126.000   32.000   31.000   29.010  5 Warn
 111 A -105.000  136.000   43.000   19.000   34.170  7 Warn
 112 G   91.000   12.000   25.000   37.000   33.230  4 Warn
 113 A -105.000  122.000   36.000   38.000   35.270  8 Warn
 114 G -146.000  150.000   14.000   19.000   34.000  5 Warn
 115 T -100.000  136.000   25.000   16.000   32.510  8 Warn
 116 K  -99.000  123.000   27.000   24.000   31.490  8 Warn
 117 A  -96.000  112.000   12.000   16.000   35.730 10 Good
 118 E 9999.000 9999.000    0.000    0.000    0.000  0 None

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           1H       SER   1  21.734  -8.306   4.305
    2    H2   SER   1           2H       SER   1  21.824  -9.765   3.447
    3    H3   SER   1           3H       SER   1  22.235  -9.726   5.089
    4    HA   SER   1           HA       SER   1  19.587  -8.764   4.494
    5    HB2  SER   1           2HB      SER   1  19.597 -11.684   4.478
    6    HB3  SER   1           1HB      SER   1  18.758 -10.559   3.408
    7    HG   SER   1           HG       SER   1  20.182 -11.186   1.986
    8    H    LEU   2           H        LEU   2  20.030  -8.016   6.657
    9    HA   LEU   2           HA       LEU   2  19.633 -10.117   8.677
   10    HB2  LEU   2           2HB      LEU   2  22.008  -8.683   8.371
   11    HB3  LEU   2           1HB      LEU   2  21.182  -7.874   9.686
   12    HG   LEU   2           HG       LEU   2  22.768  -9.611  10.452
   13   HD11  LEU   2          1HD1      LEU   2  20.425  -8.984  11.520
   14   HD12  LEU   2          2HD1      LEU   2  20.113 -10.690  11.195
   15   HD13  LEU   2          3HD1      LEU   2  21.475 -10.220  12.211
   16   HD21  LEU   2          3HD2      LEU   2  20.942 -11.406   8.877
   17   HD22  LEU   2          1HD2      LEU   2  22.697 -11.252   8.771
   18   HD23  LEU   2          2HD2      LEU   2  21.963 -12.005  10.186
   19    HA   PRO   3           HA       PRO   3  16.253  -7.133   8.969
   20    HB2  PRO   3           2HB      PRO   3  15.109  -9.183  10.754
   21    HB3  PRO   3           1HB      PRO   3  14.446  -8.481   9.277
   22    HG2  PRO   3           2HG      PRO   3  15.358 -11.004   9.348
   23    HG3  PRO   3           1HG      PRO   3  15.544  -9.982   7.908
   24    HD2  PRO   3           2HD      PRO   3  17.555 -10.679  10.013
   25    HD3  PRO   3           1HD      PRO   3  17.765 -10.557   8.254
   26    H    ALA   4           H        ALA   4  16.127  -5.491  10.318
   27    HA   ALA   4           HA       ALA   4  15.988  -4.235  12.191
   28    HB1  ALA   4           1HB      ALA   4  14.461  -5.272  13.434
   29    HB2  ALA   4           2HB      ALA   4  15.101  -6.866  13.031
   30    HB3  ALA   4           3HB      ALA   4  15.809  -5.943  14.357
   31    H    SER   5           H        SER   5  18.528  -4.627  11.252
   32    HA   SER   5           HA       SER   5  20.084  -4.824  13.747
   33    HB2  SER   5           2HB      SER   5  22.070  -4.945  12.083
   34    HB3  SER   5           1HB      SER   5  21.050  -6.371  12.270
   35    HG   SER   5           HG       SER   5  20.078  -5.948  10.338
   36    H    ALA   6           H        ALA   6  20.017  -2.818  14.577
   37    HA   ALA   6           HA       ALA   6  20.468  -0.620  14.894
   38    HB1  ALA   6           1HB      ALA   6  22.583  -1.575  13.415
   39    HB2  ALA   6           2HB      ALA   6  22.085  -0.136  12.526
   40    HB3  ALA   6           3HB      ALA   6  22.506  -0.015  14.234
   41    H    ALA   7           H        ALA   7  18.368  -1.601  12.887
   42    HA   ALA   7           HA       ALA   7  18.069   0.760  11.208
   43    HB1  ALA   7           1HB      ALA   7  16.974  -0.577   9.797
   44    HB2  ALA   7           2HB      ALA   7  17.498  -1.916  10.821
   45    HB3  ALA   7           3HB      ALA   7  15.916  -1.181  11.075
   46    H    LYS   8           H        LYS   8  17.032   2.458  12.005
   47    HA   LYS   8           HA       LYS   8  14.882   2.016  13.965
   48    HB2  LYS   8           2HB      LYS   8  15.706   4.787  13.689
   49    HB3  LYS   8           1HB      LYS   8  15.627   3.790  15.131
   50    HG2  LYS   8           2HG      LYS   8  17.883   3.065  13.484
   51    HG3  LYS   8           1HG      LYS   8  17.906   4.780  13.899
   52    HD2  LYS   8           2HD      LYS   8  17.585   4.146  16.283
   53    HD3  LYS   8           1HD      LYS   8  17.721   2.452  15.813
   54    HE2  LYS   8           2HE      LYS   8  19.938   2.570  15.831
   55    HE3  LYS   8           1HE      LYS   8  19.914   3.948  14.730
   56    HZ1  LYS   8           3HZ      LYS   8  19.585   4.108  17.682
   57    HZ2  LYS   8           1HZ      LYS   8  19.632   5.422  16.610
   58    HZ3  LYS   8           2HZ      LYS   8  21.008   4.464  16.836
   59    H    ASN   9           H        ASN   9  14.904   1.963  10.937
   60    HA   ASN   9           HA       ASN   9  12.702   3.871  10.567
   61    HB2  ASN   9           2HB      ASN   9  13.737   4.804   8.809
   62    HB3  ASN   9           1HB      ASN   9  15.163   3.849   9.192
   63   HD21  ASN   9          1HD2      ASN   9  15.730   2.182   7.890
   64   HD22  ASN   9          2HD2      ASN   9  14.897   1.748   6.439
   65    H    ALA  10           H        ALA  10  10.908   3.127   9.558
   66    HA   ALA  10           HA       ALA  10  10.931   0.397   8.490
   67    HB1  ALA  10           1HB      ALA  10   9.717   1.171  10.920
   68    HB2  ALA  10           2HB      ALA  10   8.419   0.892   9.759
   69    HB3  ALA  10           3HB      ALA  10   9.594  -0.381  10.089
   70    H    LYS  11           H        LYS  11  11.152   2.482   6.852
   71    HA   LYS  11           HA       LYS  11   8.477   3.259   5.961
   72    HB2  LYS  11           2HB      LYS  11  11.146   4.180   4.887
   73    HB3  LYS  11           1HB      LYS  11   9.575   4.914   4.594
   74    HG2  LYS  11           2HG      LYS  11   9.613   5.090   7.250
   75    HG3  LYS  11           1HG      LYS  11  11.351   5.094   6.952
   76    HD2  LYS  11           2HD      LYS  11  10.313   6.848   5.061
   77    HD3  LYS  11           1HD      LYS  11   9.399   7.190   6.534
   78    HE2  LYS  11           2HE      LYS  11  12.342   6.867   6.760
   79    HE3  LYS  11           1HE      LYS  11  11.727   8.342   6.021
   80    HZ1  LYS  11           3HZ      LYS  11  11.940   8.807   8.298
   81    HZ2  LYS  11           1HZ      LYS  11  11.236   7.338   8.767
   82    HZ3  LYS  11           2HZ      LYS  11  10.281   8.552   8.067
   83    H    LEU  12           H        LEU  12   8.699   3.539   3.300
   84    HA   LEU  12           HA       LEU  12   8.554   0.782   2.447
   85    HB2  LEU  12           2HB      LEU  12   7.759   3.425   1.357
   86    HB3  LEU  12           1HB      LEU  12   8.059   2.150   0.197
   87    HG   LEU  12           HG       LEU  12   6.384   0.745   1.474
   88   HD11  LEU  12          1HD1      LEU  12   4.704   2.288   2.704
   89   HD12  LEU  12          2HD1      LEU  12   6.142   1.730   3.557
   90   HD13  LEU  12          3HD1      LEU  12   6.088   3.363   2.894
   91   HD21  LEU  12          3HD2      LEU  12   4.452   1.954   0.473
   92   HD22  LEU  12          1HD2      LEU  12   5.538   3.297   0.114
   93   HD23  LEU  12          2HD2      LEU  12   5.805   1.720  -0.632
   94    H    ALA  13           H        ALA  13  11.058   0.866   2.974
   95    HA   ALA  13           HA       ALA  13  13.170   0.540   2.209
   96    HB1  ALA  13           1HB      ALA  13  13.502  -0.225   0.089
   97    HB2  ALA  13           2HB      ALA  13  11.748  -0.375   0.172
   98    HB3  ALA  13           3HB      ALA  13  12.476   1.010  -0.643
   99    H    THR  14           H        THR  14  11.428   3.248   0.866
  100    HA   THR  14           HA       THR  14  13.614   5.026   1.530
  101    HB   THR  14           HB       THR  14  12.700   5.834  -1.064
  102    HG1  THR  14           1HG      THR  14  13.935   3.267  -1.032
  103   HG21  THR  14          3HG2      THR  14  14.871   6.385  -1.308
  104   HG22  THR  14          1HG2      THR  14  15.437   4.801  -0.786
  105   HG23  THR  14          2HG2      THR  14  14.972   6.010   0.410
  106    H    SER  15           H        SER  15  10.478   4.758  -0.124
  107    HA   SER  15           HA       SER  15   8.530   5.914   0.017
  108    HB2  SER  15           2HB      SER  15   9.739   6.684   2.674
  109    HB3  SER  15           1HB      SER  15   8.173   7.307   2.152
  110    HG   SER  15           HG       SER  15   7.308   5.358   2.362
  111    H    ALA  16           H        ALA  16  10.659   8.324   1.570
  112    HA   ALA  16           HA       ALA  16  10.991  10.532   1.121
  113    HB1  ALA  16           1HB      ALA  16  11.217  10.739  -1.615
  114    HB2  ALA  16           2HB      ALA  16  12.518  10.318  -0.499
  115    HB3  ALA  16           3HB      ALA  16  11.606   9.045  -1.309
  116    H    ALA  17           H        ALA  17   9.450  10.102  -1.983
  117    HA   ALA  17           HA       ALA  17   7.572  12.158  -1.675
  118    HB1  ALA  17           1HB      ALA  17   7.769  11.685  -3.869
  119    HB2  ALA  17           2HB      ALA  17   8.057   9.969  -3.585
  120    HB3  ALA  17           3HB      ALA  17   6.415  10.606  -3.544
  121    H    PHE  18           H        PHE  18   7.361   8.673  -1.089
  122    HA   PHE  18           HA       PHE  18   4.584   8.658  -0.453
  123    HB2  PHE  18           2HB      PHE  18   6.075   6.639  -1.060
  124    HB3  PHE  18           1HB      PHE  18   6.577   6.667   0.628
  125    HD1  PHE  18           2HD      PHE  18   3.530   6.551  -1.502
  126    HD2  PHE  18           1HD      PHE  18   5.336   5.505   2.211
  127    HE1  PHE  18           2HE      PHE  18   1.533   5.248  -0.896
  128    HE2  PHE  18           1HE      PHE  18   3.343   4.205   2.821
  129    HZ   PHE  18           HZ       PHE  18   1.437   4.078   1.270
  130    H    ALA  19           H        ALA  19   7.469   9.421   1.299
  131    HA   ALA  19           HA       ALA  19   6.309   9.336   3.908
  132    HB1  ALA  19           1HB      ALA  19   8.341   9.944   4.672
  133    HB2  ALA  19           2HB      ALA  19   8.852   9.501   3.042
  134    HB3  ALA  19           3HB      ALA  19   8.548  11.192   3.443
  135    H    LYS  20           H        LYS  20   6.843  11.850   1.472
  136    HA   LYS  20           HA       LYS  20   5.684  13.995   2.891
  137    HB2  LYS  20           2HB      LYS  20   6.041  13.397  -0.039
  138    HB3  LYS  20           1HB      LYS  20   5.164  14.828   0.484
  139    HG2  LYS  20           2HG      LYS  20   7.060  15.925   0.834
  140    HG3  LYS  20           1HG      LYS  20   7.664  14.642   1.885
  141    HD2  LYS  20           2HD      LYS  20   8.832  13.634   0.205
  142    HD3  LYS  20           1HD      LYS  20   7.702  14.156  -1.044
  143    HE2  LYS  20           2HE      LYS  20   8.809  16.512  -0.058
  144    HE3  LYS  20           1HE      LYS  20  10.164  15.388  -0.143
  145    HZ1  LYS  20           3HZ      LYS  20   8.838  16.746  -2.249
  146    HZ2  LYS  20           1HZ      LYS  20   8.741  15.068  -2.501
  147    HZ3  LYS  20           2HZ      LYS  20  10.250  15.817  -2.305
  148    H    GLN  21           H        GLN  21   4.362  11.448   0.878
  149    HA   GLN  21           HA       GLN  21   1.670  12.218   0.841
  150    HB2  GLN  21           2HB      GLN  21   3.219  10.002   0.038
  151    HB3  GLN  21           1HB      GLN  21   1.959   9.354   1.079
  152    HG2  GLN  21           2HG      GLN  21   0.286  10.536  -0.328
  153    HG3  GLN  21           1HG      GLN  21   1.604  10.994  -1.415
  154   HE21  GLN  21          1HE2      GLN  21  -0.627   8.588  -0.579
  155   HE22  GLN  21          2HE2      GLN  21  -0.068   7.360  -1.649
  156    H    ALA  22           H        ALA  22   3.501  10.229   3.141
  157    HA   ALA  22           HA       ALA  22   1.284   9.587   4.799
  158    HB1  ALA  22           1HB      ALA  22   3.032   8.848   6.413
  159    HB2  ALA  22           2HB      ALA  22   3.208   8.162   4.796
  160    HB3  ALA  22           3HB      ALA  22   4.251   9.489   5.311
  161    H    GLU  23           H        GLU  23   3.239  12.389   4.534
  162    HA   GLU  23           HA       GLU  23   2.556  13.315   7.207
  163    HB2  GLU  23           2HB      GLU  23   4.776  13.710   5.666
  164    HB3  GLU  23           1HB      GLU  23   3.883  15.199   5.377
  165    HG2  GLU  23           2HG      GLU  23   4.294  15.981   7.422
  166    HG3  GLU  23           1HG      GLU  23   3.986  14.422   8.185
  167    H    GLY  24           H        GLY  24   1.752  13.911   3.843
  168    HA2  GLY  24           1HA      GLY  24   0.133  16.230   4.429
  169    HA3  GLY  24           2HA      GLY  24   0.265  15.407   2.879
  170    H    THR  25           H        THR  25  -0.359  12.807   4.288
  171    HA   THR  25           HA       THR  25  -3.277  13.212   4.380
  172    HB   THR  25           HB       THR  25  -2.187  10.472   4.041
  173    HG1  THR  25           1HG      THR  25  -0.890  11.700   2.594
  174   HG21  THR  25          3HG2      THR  25  -4.667  11.580   3.944
  175   HG22  THR  25          1HG2      THR  25  -4.224  10.056   3.170
  176   HG23  THR  25          2HG2      THR  25  -4.238  11.552   2.234
  177    H    THR  26           H        THR  26  -4.388  12.619   6.165
  178    HA   THR  26           HA       THR  26  -2.873  12.058   8.530
  179    HB   THR  26           HB       THR  26  -5.840  11.920   8.569
  180    HG1  THR  26           1HG      THR  26  -4.326  14.066   7.586
  181   HG21  THR  26          3HG2      THR  26  -4.722  11.865  10.674
  182   HG22  THR  26          1HG2      THR  26  -5.414  13.482  10.513
  183   HG23  THR  26          2HG2      THR  26  -3.691  13.228  10.232
  184    H    CYS  27           H        CYS  27  -2.027  10.048   8.439
  185    HA   CYS  27           HA       CYS  27  -3.896   7.834   8.826
  186    HB2  CYS  27           2HB      CYS  27  -1.775   8.033   6.716
  187    HB3  CYS  27           1HB      CYS  27  -2.107   6.463   7.445
  188    H    ASN  28           H        ASN  28  -2.251   5.797   9.355
  189    HA   ASN  28           HA       ASN  28  -0.435   6.876  11.406
  190    HB2  ASN  28           2HB      ASN  28  -2.672   5.478  11.991
  191    HB3  ASN  28           1HB      ASN  28  -1.526   4.150  11.814
  192   HD21  ASN  28          1HD2      ASN  28  -2.851   5.021  14.211
  193   HD22  ASN  28          2HD2      ASN  28  -1.608   5.465  15.332
  194    H    VAL  29           H        VAL  29   1.380   5.447  11.970
  195    HA   VAL  29           HA       VAL  29   2.766   4.821   9.575
  196    HB   VAL  29           HB       VAL  29   4.467   3.838  11.344
  197   HG11  VAL  29          1HG1      VAL  29   3.927   6.797  11.278
  198   HG12  VAL  29          2HG1      VAL  29   5.475   5.976  11.476
  199   HG13  VAL  29          3HG1      VAL  29   4.635   5.908   9.928
  200   HG21  VAL  29          3HG2      VAL  29   2.933   3.843  13.233
  201   HG22  VAL  29          1HG2      VAL  29   4.261   4.968  13.521
  202   HG23  VAL  29          2HG2      VAL  29   2.674   5.577  13.044
  203    H    GLY  30           H        GLY  30   1.573   2.766  12.237
  204    HA2  GLY  30           1HA      GLY  30   2.476   0.355  10.896
  205    HA3  GLY  30           2HA      GLY  30   1.624   0.445  12.433
  206    H    SER  31           H        SER  31   0.109   2.315  10.140
  207    HA   SER  31           HA       SER  31  -1.558   0.146   9.124
  208    HB2  SER  31           2HB      SER  31  -2.778   2.652  10.291
  209    HB3  SER  31           1HB      SER  31  -3.605   1.176   9.788
  210    HG   SER  31           HG       SER  31  -1.826   0.434  11.559
  211    H    ILE  32           H        ILE  32   0.494   1.778   7.948
  212    HA   ILE  32           HA       ILE  32  -0.958   3.642   6.254
  213    HB   ILE  32           HB       ILE  32   1.469   3.948   7.316
  214   HG12  ILE  32          2HG1      ILE  32   1.729   5.260   4.861
  215   HG13  ILE  32          1HG1      ILE  32  -0.005   5.103   5.122
  216   HG21  ILE  32          1HG2      ILE  32   2.955   3.708   5.082
  217   HG22  ILE  32          2HG2      ILE  32   2.937   2.527   6.393
  218   HG23  ILE  32          3HG2      ILE  32   1.944   2.268   4.960
  219   HD11  ILE  32          3HD1      ILE  32   0.001   6.495   6.905
  220   HD12  ILE  32          1HD1      ILE  32   1.635   6.046   7.400
  221   HD13  ILE  32          2HD1      ILE  32   1.394   7.150   6.046
  222    H    ALA  33           H        ALA  33  -1.538   3.215   4.207
  223    HA   ALA  33           HA       ALA  33  -0.500   0.845   2.887
  224    HB1  ALA  33           1HB      ALA  33  -3.461   1.053   3.328
  225    HB2  ALA  33           2HB      ALA  33  -2.521  -0.331   2.775
  226    HB3  ALA  33           3HB      ALA  33  -2.413   0.193   4.454
  227    H    CYS  34           H        CYS  34  -1.477   0.567   0.723
  228    HA   CYS  34           HA       CYS  34  -2.628   3.056  -0.351
  229    HB2  CYS  34           2HB      CYS  34  -0.217   2.530  -1.071
  230    HB3  CYS  34           1HB      CYS  34  -0.905   1.183  -1.973
  231    H    CYS  35           H        CYS  35  -4.375   2.820  -1.676
  232    HA   CYS  35           HA       CYS  35  -5.311   0.062  -2.137
  233    HB2  CYS  35           2HB      CYS  35  -7.315   2.243  -1.950
  234    HB3  CYS  35           1HB      CYS  35  -7.421   0.571  -1.413
  235    H    ASN  36           H        ASN  36  -6.093  -0.396  -4.162
  236    HA   ASN  36           HA       ASN  36  -5.928   1.828  -6.084
  237    HB2  ASN  36           2HB      ASN  36  -4.244  -0.178  -6.186
  238    HB3  ASN  36           1HB      ASN  36  -5.595  -1.019  -6.941
  239   HD21  ASN  36          1HD2      ASN  36  -5.617  -0.919  -9.059
  240   HD22  ASN  36          2HD2      ASN  36  -4.968   0.353 -10.029
  241    H    SER  37           H        SER  37  -7.332   1.741  -7.906
  242    HA   SER  37           HA       SER  37  -9.974   1.316  -7.616
  243    HB2  SER  37           2HB      SER  37  -9.060   0.492 -10.270
  244    HB3  SER  37           1HB      SER  37 -10.027   1.890  -9.797
  245    HG   SER  37           HG       SER  37  -8.202   2.845 -10.404
  246    HA   PRO  38           HA       PRO  38 -10.564  -2.882  -6.540
  247    HB2  PRO  38           2HB      PRO  38 -13.108  -3.137  -7.715
  248    HB3  PRO  38           1HB      PRO  38 -12.754  -2.628  -6.063
  249    HG2  PRO  38           2HG      PRO  38 -13.358  -0.978  -8.467
  250    HG3  PRO  38           1HG      PRO  38 -13.780  -0.696  -6.768
  251    HD2  PRO  38           2HD      PRO  38 -11.815   0.677  -7.954
  252    HD3  PRO  38           1HD      PRO  38 -11.679   0.158  -6.261
  253    H    ALA  39           H        ALA  39 -11.326  -1.996  -9.910
  254    HA   ALA  39           HA       ALA  39 -11.541  -4.672 -10.819
  255    HB1  ALA  39           1HB      ALA  39 -12.441  -3.500 -12.482
  256    HB2  ALA  39           2HB      ALA  39 -11.618  -2.022 -11.985
  257    HB3  ALA  39           3HB      ALA  39 -10.798  -3.178 -13.032
  258    H    GLU  40           H        GLU  40  -8.829  -2.659 -10.164
  259    HA   GLU  40           HA       GLU  40  -7.038  -4.344 -11.758
  260    HB2  GLU  40           2HB      GLU  40  -6.532  -1.771 -10.253
  261    HB3  GLU  40           1HB      GLU  40  -5.305  -2.659 -11.145
  262    HG2  GLU  40           2HG      GLU  40  -7.707  -1.220 -12.210
  263    HG3  GLU  40           1HG      GLU  40  -6.004  -0.929 -12.560
  264    H    THR  41           H        THR  41  -7.562  -3.246  -8.435
  265    HA   THR  41           HA       THR  41  -5.561  -4.777  -7.203
  266    HB   THR  41           HB       THR  41  -8.217  -4.239  -5.903
  267    HG1  THR  41           1HG      THR  41  -7.823  -2.117  -5.887
  268   HG21  THR  41          3HG2      THR  41  -5.502  -3.762  -4.736
  269   HG22  THR  41          1HG2      THR  41  -6.155  -5.398  -4.812
  270   HG23  THR  41          2HG2      THR  41  -7.017  -4.144  -3.921
  271    H    ASN  42           H        ASN  42  -8.799  -5.543  -8.278
  272    HA   ASN  42           HA       ASN  42  -8.518  -8.278  -7.256
  273    HB2  ASN  42           2HB      ASN  42 -10.751  -6.459  -7.562
  274    HB3  ASN  42           1HB      ASN  42 -11.064  -7.996  -8.363
  275   HD21  ASN  42          1HD2      ASN  42  -9.888  -6.635  -5.329
  276   HD22  ASN  42          2HD2      ASN  42 -10.558  -7.861  -4.309
  277    H    ASN  43           H        ASN  43  -7.389  -6.894  -9.753
  278    HA   ASN  43           HA       ASN  43  -8.518  -7.877 -12.089
  279    HB2  ASN  43           2HB      ASN  43  -6.462  -6.327 -11.759
  280    HB3  ASN  43           1HB      ASN  43  -5.535  -7.819 -11.686
  281   HD21  ASN  43          1HD2      ASN  43  -5.936  -5.463 -13.665
  282   HD22  ASN  43          2HD2      ASN  43  -6.041  -6.281 -15.191
  283    H    ASP  44           H        ASP  44  -6.054  -9.389 -10.033
  284    HA   ASP  44           HA       ASP  44  -6.501 -11.949 -11.364
  285    HB2  ASP  44           2HB      ASP  44  -4.184 -11.020 -10.699
  286    HB3  ASP  44           1HB      ASP  44  -4.623 -11.468  -9.049
  287    H    SER  45           H        SER  45  -7.584 -13.641 -10.418
  288    HA   SER  45           HA       SER  45  -9.324 -13.078  -8.261
  289    HB2  SER  45           2HB      SER  45  -9.345 -15.804  -8.422
  290    HB3  SER  45           1HB      SER  45 -10.303 -14.737  -9.445
  291    HG   SER  45           HG       SER  45  -8.195 -16.350 -10.084
  292    H    LEU  46           H        LEU  46  -6.141 -14.437  -8.482
  293    HA   LEU  46           HA       LEU  46  -6.154 -15.430  -5.757
  294    HB2  LEU  46           2HB      LEU  46  -4.407 -15.598  -8.084
  295    HB3  LEU  46           1HB      LEU  46  -3.518 -15.317  -6.598
  296    HG   LEU  46           HG       LEU  46  -5.134 -17.301  -5.775
  297   HD11  LEU  46          1HD1      LEU  46  -5.468 -18.956  -7.436
  298   HD12  LEU  46          2HD1      LEU  46  -6.104 -17.448  -8.091
  299   HD13  LEU  46          3HD1      LEU  46  -4.539 -18.051  -8.629
  300   HD21  LEU  46          3HD2      LEU  46  -2.539 -17.722  -7.258
  301   HD22  LEU  46          1HD2      LEU  46  -2.679 -17.181  -5.587
  302   HD23  LEU  46          2HD2      LEU  46  -3.244 -18.787  -6.043
  303    H    LEU  47           H        LEU  47  -5.286 -12.549  -7.483
  304    HA   LEU  47           HA       LEU  47  -3.533 -11.368  -5.636
  305    HB2  LEU  47           2HB      LEU  47  -4.681 -10.624  -8.039
  306    HB3  LEU  47           1HB      LEU  47  -5.379  -9.486  -6.904
  307    HG   LEU  47           HG       LEU  47  -3.340  -8.641  -8.029
  308   HD11  LEU  47          1HD1      LEU  47  -3.566  -7.439  -6.133
  309   HD12  LEU  47          2HD1      LEU  47  -3.635  -8.868  -5.102
  310   HD13  LEU  47          3HD1      LEU  47  -2.080  -8.284  -5.698
  311   HD21  LEU  47          3HD2      LEU  47  -2.123 -11.015  -6.678
  312   HD22  LEU  47          1HD2      LEU  47  -1.998 -10.509  -8.363
  313   HD23  LEU  47          2HD2      LEU  47  -1.161  -9.602  -7.105
  314    H    SER  48           H        SER  48  -7.036 -11.502  -5.779
  315    HA   SER  48           HA       SER  48  -7.675  -9.663  -3.784
  316    HB2  SER  48           2HB      SER  48  -9.098 -11.197  -5.461
  317    HB3  SER  48           1HB      SER  48  -9.302 -12.144  -3.986
  318    HG   SER  48           HG       SER  48 -10.643 -10.015  -4.697
  319    H    GLY  49           H        GLY  49  -6.615 -13.020  -3.550
  320    HA2  GLY  49           1HA      GLY  49  -6.955 -12.991  -0.640
  321    HA3  GLY  49           2HA      GLY  49  -6.496 -14.379  -1.617
  322    H    LEU  50           H        LEU  50  -4.611 -12.246  -2.926
  323    HA   LEU  50           HA       LEU  50  -2.279 -13.082  -1.482
  324    HB2  LEU  50           2HB      LEU  50  -2.891 -12.132  -4.075
  325    HB3  LEU  50           1HB      LEU  50  -1.744 -11.001  -3.389
  326    HG   LEU  50           HG       LEU  50  -0.371 -13.131  -2.808
  327   HD11  LEU  50          1HD1      LEU  50  -1.641 -14.295  -5.219
  328   HD12  LEU  50          2HD1      LEU  50  -0.808 -15.083  -3.884
  329   HD13  LEU  50          3HD1      LEU  50  -2.458 -14.501  -3.673
  330   HD21  LEU  50          3HD2      LEU  50   0.043 -13.044  -5.568
  331   HD22  LEU  50          1HD2      LEU  50  -0.539 -11.438  -5.123
  332   HD23  LEU  50          2HD2      LEU  50   0.882 -12.115  -4.326
  333    H    LEU  51           H        LEU  51  -4.171 -10.145  -1.793
  334    HA   LEU  51           HA       LEU  51  -2.306  -8.481  -0.409
  335    HB2  LEU  51           2HB      LEU  51  -4.363  -6.969  -0.166
  336    HB3  LEU  51           1HB      LEU  51  -3.756  -7.286  -1.777
  337    HG   LEU  51           HG       LEU  51  -5.619  -9.263  -1.496
  338   HD11  LEU  51          1HD1      LEU  51  -7.488  -8.563  -0.367
  339   HD12  LEU  51          2HD1      LEU  51  -6.211  -7.948   0.682
  340   HD13  LEU  51          3HD1      LEU  51  -7.028  -6.861  -0.441
  341   HD21  LEU  51          3HD2      LEU  51  -5.944  -6.477  -2.605
  342   HD22  LEU  51          1HD2      LEU  51  -5.345  -7.898  -3.464
  343   HD23  LEU  51          2HD2      LEU  51  -7.028  -7.826  -2.942
  344    H    GLY  52           H        GLY  52  -4.880 -10.592   0.533
  345    HA2  GLY  52           1HA      GLY  52  -4.978  -9.513   3.231
  346    HA3  GLY  52           2HA      GLY  52  -6.023 -10.761   2.568
  347    H    ALA  53           H        ALA  53  -2.532 -10.302   3.162
  348    HA   ALA  53           HA       ALA  53  -1.988 -13.048   3.475
  349    HB1  ALA  53           1HB      ALA  53  -0.039 -11.957   3.061
  350    HB2  ALA  53           2HB      ALA  53  -0.510 -10.531   3.986
  351    HB3  ALA  53           3HB      ALA  53   0.060 -11.977   4.822
  352    H    GLY  54           H        GLY  54  -3.248 -10.682   5.633
  353    HA2  GLY  54           1HA      GLY  54  -3.006 -12.603   7.865
  354    HA3  GLY  54           2HA      GLY  54  -2.987 -10.860   8.087
  355    H    LEU  55           H        LEU  55  -5.138 -12.203   5.757
  356    HA   LEU  55           HA       LEU  55  -7.389 -12.423   5.621
  357    HB2  LEU  55           2HB      LEU  55  -7.026 -13.959   7.571
  358    HB3  LEU  55           1HB      LEU  55  -7.361 -12.609   8.636
  359    HG   LEU  55           HG       LEU  55  -9.643 -12.464   7.516
  360   HD11  LEU  55          1HD1      LEU  55 -10.266 -13.899   5.931
  361   HD12  LEU  55          2HD1      LEU  55  -8.549 -14.274   5.762
  362   HD13  LEU  55          3HD1      LEU  55  -9.571 -15.276   6.788
  363   HD21  LEU  55          3HD2      LEU  55  -8.849 -14.886   9.129
  364   HD22  LEU  55          1HD2      LEU  55  -9.418 -13.335   9.742
  365   HD23  LEU  55          2HD2      LEU  55 -10.520 -14.388   8.852
  366    H    LEU  56           H        LEU  56  -6.424  -9.892   5.472
  367    HA   LEU  56           HA       LEU  56  -7.881  -8.179   7.294
  368    HB2  LEU  56           2HB      LEU  56  -6.858  -6.379   5.723
  369    HB3  LEU  56           1HB      LEU  56  -5.841  -7.217   6.873
  370    HG   LEU  56           HG       LEU  56  -5.863  -8.635   4.370
  371   HD11  LEU  56          1HD1      LEU  56  -6.415  -6.422   3.440
  372   HD12  LEU  56          2HD1      LEU  56  -4.986  -5.753   4.226
  373   HD13  LEU  56          3HD1      LEU  56  -4.809  -6.974   2.963
  374   HD21  LEU  56          3HD2      LEU  56  -4.181  -8.717   6.232
  375   HD22  LEU  56          1HD2      LEU  56  -3.497  -8.504   4.622
  376   HD23  LEU  56          2HD2      LEU  56  -3.626  -7.124   5.711
  377    H    ASN  57           H        ASN  57  -8.840  -6.122   6.015
  378    HA   ASN  57           HA       ASN  57 -10.774  -7.234   4.109
  379    HB2  ASN  57           2HB      ASN  57 -11.463  -6.557   6.587
  380    HB3  ASN  57           1HB      ASN  57 -11.561  -4.958   5.858
  381   HD21  ASN  57          1HD2      ASN  57 -13.842  -5.418   6.614
  382   HD22  ASN  57          2HD2      ASN  57 -14.901  -6.143   5.458
  383    H    GLY  58           H        GLY  58 -12.083  -5.042   3.331
  384    HA2  GLY  58           1HA      GLY  58  -9.971  -3.695   1.777
  385    HA3  GLY  58           2HA      GLY  58 -11.634  -3.912   1.257
  386    H    LEU  59           H        LEU  59 -11.772  -1.660   0.789
  387    HA   LEU  59           HA       LEU  59 -11.277   0.352   2.714
  388    HB2  LEU  59           2HB      LEU  59 -11.697   0.395   0.073
  389    HB3  LEU  59           1HB      LEU  59 -13.319   0.797   0.601
  390    HG   LEU  59           HG       LEU  59 -12.421   2.725   1.850
  391   HD11  LEU  59          1HD1      LEU  59 -10.244   2.273   2.432
  392   HD12  LEU  59          2HD1      LEU  59  -9.843   1.614   0.847
  393   HD13  LEU  59          3HD1      LEU  59 -10.009   3.358   1.061
  394   HD21  LEU  59          3HD2      LEU  59 -12.104   2.417  -1.087
  395   HD22  LEU  59          1HD2      LEU  59 -13.186   3.462  -0.169
  396   HD23  LEU  59          2HD2      LEU  59 -11.484   3.886  -0.337
  397    H    SER  60           H        SER  60 -12.611   1.377   4.142
  398    HA   SER  60           HA       SER  60 -14.690  -0.101   5.310
  399    HB2  SER  60           2HB      SER  60 -13.186   2.215   5.919
  400    HB3  SER  60           1HB      SER  60 -14.885   2.668   6.037
  401    HG   SER  60           HG       SER  60 -14.242   1.831   8.009
  402    H    GLY  61           H        GLY  61 -16.379  -0.572   4.006
  403    HA2  GLY  61           1HA      GLY  61 -18.657   0.057   3.573
  404    HA3  GLY  61           2HA      GLY  61 -18.107   1.699   3.273
  405    H    ASN  62           H        ASN  62 -15.810   0.060   1.798
  406    HA   ASN  62           HA       ASN  62 -17.325  -0.309  -0.693
  407    HB2  ASN  62           2HB      ASN  62 -16.304   1.848  -0.878
  408    HB3  ASN  62           1HB      ASN  62 -14.754   1.232  -0.325
  409   HD21  ASN  62          1HD2      ASN  62 -13.628   1.862  -2.107
  410   HD22  ASN  62          2HD2      ASN  62 -13.832   1.146  -3.666
  411    H    THR  63           H        THR  63 -17.246  -2.512  -0.549
  412    HA   THR  63           HA       THR  63 -14.818  -3.949  -0.181
  413    HB   THR  63           HB       THR  63 -17.439  -4.934  -1.332
  414    HG1  THR  63           1HG      THR  63 -16.739  -5.430   1.331
  415   HG21  THR  63          3HG2      THR  63 -14.951  -6.255  -0.354
  416   HG22  THR  63          1HG2      THR  63 -15.953  -6.643  -1.750
  417   HG23  THR  63          2HG2      THR  63 -16.503  -7.064  -0.126
  418    H    GLY  64           H        GLY  64 -13.342  -3.272  -1.698
  419    HA2  GLY  64           1HA      GLY  64 -13.199  -4.650  -4.103
  420    HA3  GLY  64           2HA      GLY  64 -13.852  -3.060  -4.475
  421    H    SER  65           H        SER  65 -12.563  -1.284  -3.124
  422    HA   SER  65           HA       SER  65  -9.846  -1.439  -4.033
  423    HB2  SER  65           2HB      SER  65 -10.856   0.763  -2.257
  424    HB3  SER  65           1HB      SER  65  -9.726   0.851  -3.611
  425    HG   SER  65           HG       SER  65 -11.368   1.302  -4.833
  426    H    ALA  66           H        ALA  66  -9.098  -3.217  -2.779
  427    HA   ALA  66           HA       ALA  66  -8.963  -2.999   0.085
  428    HB1  ALA  66           1HB      ALA  66  -7.070  -4.880  -0.781
  429    HB2  ALA  66           2HB      ALA  66  -8.684  -5.191  -0.141
  430    HB3  ALA  66           3HB      ALA  66  -8.443  -5.023  -1.882
  431    H    CYS  67           H        CYS  67  -6.946  -2.871   1.280
  432    HA   CYS  67           HA       CYS  67  -4.941  -1.262  -0.148
  433    HB2  CYS  67           2HB      CYS  67  -5.610  -0.872   2.756
  434    HB3  CYS  67           1HB      CYS  67  -4.738   0.213   1.682
  435    H    ALA  68           H        ALA  68  -2.882  -1.878   0.034
  436    HA   ALA  68           HA       ALA  68  -2.258  -4.014   1.956
  437    HB1  ALA  68           1HB      ALA  68  -0.314  -3.367  -0.176
  438    HB2  ALA  68           2HB      ALA  68  -0.815  -4.932   0.472
  439    HB3  ALA  68           3HB      ALA  68  -1.843  -4.088  -0.687
  440    H    LYS  69           H        LYS  69  -0.686  -3.750   3.452
  441    HA   LYS  69           HA       LYS  69   0.072  -0.990   3.945
  442    HB2  LYS  69           2HB      LYS  69  -0.046  -3.482   5.606
  443    HB3  LYS  69           1HB      LYS  69   0.946  -2.131   6.141
  444    HG2  LYS  69           2HG      LYS  69  -1.115  -1.853   7.225
  445    HG3  LYS  69           1HG      LYS  69  -1.136  -0.696   5.892
  446    HD2  LYS  69           2HD      LYS  69  -3.162  -1.590   5.457
  447    HD3  LYS  69           1HD      LYS  69  -2.225  -2.880   4.697
  448    HE2  LYS  69           2HE      LYS  69  -2.469  -3.293   7.545
  449    HE3  LYS  69           1HE      LYS  69  -4.052  -3.122   6.786
  450    HZ1  LYS  69           3HZ      LYS  69  -1.987  -5.163   6.363
  451    HZ2  LYS  69           1HZ      LYS  69  -3.035  -4.779   5.082
  452    HZ3  LYS  69           2HZ      LYS  69  -3.662  -5.340   6.548
  453    H    ALA  70           H        ALA  70   2.286  -0.609   4.889
  454    HA   ALA  70           HA       ALA  70   4.254  -1.245   3.017
  455    HB1  ALA  70           1HB      ALA  70   4.244  -0.002   5.708
  456    HB2  ALA  70           2HB      ALA  70   5.790  -0.532   5.044
  457    HB3  ALA  70           3HB      ALA  70   4.808   0.639   4.162
  458    H    SER  71           H        SER  71   3.342  -2.850   6.005
  459    HA   SER  71           HA       SER  71   5.617  -4.546   6.160
  460    HB2  SER  71           2HB      SER  71   3.512  -5.820   7.471
  461    HB3  SER  71           1HB      SER  71   4.662  -4.697   8.202
  462    HG   SER  71           HG       SER  71   2.099  -4.368   8.047
  463    H    LEU  72           H        LEU  72   2.402  -4.758   4.796
  464    HA   LEU  72           HA       LEU  72   2.528  -7.420   3.869
  465    HB2  LEU  72           2HB      LEU  72   0.664  -5.327   3.834
  466    HB3  LEU  72           1HB      LEU  72   0.980  -5.680   2.147
  467    HG   LEU  72           HG       LEU  72  -0.857  -7.017   2.665
  468   HD11  LEU  72          1HD1      LEU  72   1.633  -8.264   2.184
  469   HD12  LEU  72          2HD1      LEU  72   0.718  -9.296   3.285
  470   HD13  LEU  72          3HD1      LEU  72   0.019  -8.824   1.737
  471   HD21  LEU  72          3HD2      LEU  72  -0.524  -6.641   5.171
  472   HD22  LEU  72          1HD2      LEU  72  -1.245  -8.167   4.656
  473   HD23  LEU  72          2HD2      LEU  72   0.453  -8.110   5.127
  474    H    ILE  73           H        ILE  73   3.626  -4.361   2.597
  475    HA   ILE  73           HA       ILE  73   4.237  -5.212  -0.012
  476    HB   ILE  73           HB       ILE  73   5.097  -2.910   1.692
  477   HG12  ILE  73          2HG1      ILE  73   4.143  -2.587  -1.089
  478   HG13  ILE  73          1HG1      ILE  73   2.993  -3.312   0.027
  479   HG21  ILE  73          1HG2      ILE  73   6.487  -2.037  -0.146
  480   HG22  ILE  73          2HG2      ILE  73   7.160  -3.504   0.565
  481   HG23  ILE  73          3HG2      ILE  73   6.321  -3.578  -0.986
  482   HD11  ILE  73          3HD1      ILE  73   4.114  -0.567  -0.037
  483   HD12  ILE  73          1HD1      ILE  73   2.460  -1.113   0.249
  484   HD13  ILE  73          2HD1      ILE  73   3.672  -1.261   1.522
  485    H    ASP  74           H        ASP  74   6.010  -5.339   3.017
  486    HA   ASP  74           HA       ASP  74   8.391  -6.398   1.760
  487    HB2  ASP  74           2HB      ASP  74   8.347  -4.930   3.856
  488    HB3  ASP  74           1HB      ASP  74   7.824  -6.370   4.721
  489    H    GLN  75           H        GLN  75   5.441  -7.690   2.582
  490    HA   GLN  75           HA       GLN  75   6.518 -10.316   3.278
  491    HB2  GLN  75           2HB      GLN  75   4.173  -8.961   4.005
  492    HB3  GLN  75           1HB      GLN  75   3.639 -10.227   2.910
  493    HG2  GLN  75           2HG      GLN  75   3.546 -11.391   4.847
  494    HG3  GLN  75           1HG      GLN  75   5.237 -11.693   4.448
  495   HE21  GLN  75          1HE2      GLN  75   5.982  -8.920   5.065
  496   HE22  GLN  75          2HE2      GLN  75   6.011  -8.816   6.785
  497    H    LEU  76           H        LEU  76   4.619  -8.677   0.816
  498    HA   LEU  76           HA       LEU  76   5.132 -10.915  -1.008
  499    HB2  LEU  76           2HB      LEU  76   2.546  -9.666  -0.247
  500    HB3  LEU  76           1HB      LEU  76   2.755 -10.155  -1.916
  501    HG   LEU  76           HG       LEU  76   3.449 -12.453  -0.882
  502   HD11  LEU  76          1HD1      LEU  76   3.516 -11.729   1.437
  503   HD12  LEU  76          2HD1      LEU  76   1.821 -11.245   1.352
  504   HD13  LEU  76          3HD1      LEU  76   2.260 -12.946   1.204
  505   HD21  LEU  76          3HD2      LEU  76   1.550 -12.291  -2.257
  506   HD22  LEU  76          1HD2      LEU  76   0.999 -13.052  -0.765
  507   HD23  LEU  76          2HD2      LEU  76   0.669 -11.347  -1.059
  508    H    GLY  77           H        GLY  77   3.866  -7.578  -0.834
  509    HA2  GLY  77           1HA      GLY  77   4.771  -5.730  -2.002
  510    HA3  GLY  77           2HA      GLY  77   5.658  -6.847  -3.028
  511    H    LEU  78           H        LEU  78   2.221  -6.476  -2.208
  512    HA   LEU  78           HA       LEU  78   1.184  -7.324  -4.632
  513    HB2  LEU  78           2HB      LEU  78   0.072  -5.416  -2.585
  514    HB3  LEU  78           1HB      LEU  78  -0.855  -5.970  -3.965
  515    HG   LEU  78           HG       LEU  78  -1.572  -7.415  -2.319
  516   HD11  LEU  78          1HD1      LEU  78   0.749  -9.135  -2.969
  517   HD12  LEU  78          2HD1      LEU  78  -0.979  -9.476  -3.055
  518   HD13  LEU  78          3HD1      LEU  78  -0.205  -8.526  -4.323
  519   HD21  LEU  78          3HD2      LEU  78  -0.482  -7.079  -0.384
  520   HD22  LEU  78          1HD2      LEU  78   0.435  -8.506  -0.868
  521   HD23  LEU  78          2HD2      LEU  78   1.082  -6.894  -1.177
  522    H    LEU  79           H        LEU  79   1.942  -6.505  -6.505
  523    HA   LEU  79           HA       LEU  79   2.558  -3.737  -6.833
  524    HB2  LEU  79           2HB      LEU  79   2.709  -4.587  -9.334
  525    HB3  LEU  79           1HB      LEU  79   3.944  -4.980  -8.153
  526    HG   LEU  79           HG       LEU  79   2.215  -7.076  -7.848
  527   HD11  LEU  79          1HD1      LEU  79   0.793  -6.569  -9.659
  528   HD12  LEU  79          2HD1      LEU  79   2.153  -6.191 -10.719
  529   HD13  LEU  79          3HD1      LEU  79   1.857  -7.859 -10.225
  530   HD21  LEU  79          3HD2      LEU  79   4.785  -6.851  -8.268
  531   HD22  LEU  79          1HD2      LEU  79   3.953  -8.361  -8.640
  532   HD23  LEU  79          2HD2      LEU  79   4.341  -7.227  -9.934
  533    H    ALA  80           H        ALA  80  -0.354  -5.165  -6.680
  534    HA   ALA  80           HA       ALA  80  -1.685  -4.079  -8.953
  535    HB1  ALA  80           1HB      ALA  80  -3.293  -4.605  -6.541
  536    HB2  ALA  80           2HB      ALA  80  -3.501  -5.177  -8.195
  537    HB3  ALA  80           3HB      ALA  80  -2.339  -5.966  -7.131
  538    H    LEU  81           H        LEU  81  -0.986  -2.932  -5.717
  539    HA   LEU  81           HA       LEU  81  -2.416  -0.446  -6.343
  540    HB2  LEU  81           2HB      LEU  81  -2.477  -0.268  -3.740
  541    HB3  LEU  81           1HB      LEU  81  -3.670  -1.217  -4.610
  542    HG   LEU  81           HG       LEU  81  -2.070  -3.207  -4.184
  543   HD11  LEU  81          1HD1      LEU  81  -0.398  -3.007  -2.692
  544   HD12  LEU  81          2HD1      LEU  81  -0.434  -1.330  -3.250
  545   HD13  LEU  81          3HD1      LEU  81  -1.242  -1.778  -1.746
  546   HD21  LEU  81          3HD2      LEU  81  -3.007  -2.940  -1.594
  547   HD22  LEU  81          1HD2      LEU  81  -4.120  -1.957  -2.550
  548   HD23  LEU  81          2HD2      LEU  81  -3.879  -3.656  -2.952
  549    H    VAL  82           H        VAL  82   0.547  -1.633  -6.244
  550    HA   VAL  82           HA       VAL  82   1.721   0.767  -5.014
  551    HB   VAL  82           HB       VAL  82   3.012  -1.916  -5.582
  552   HG11  VAL  82          1HG1      VAL  82   4.718  -0.319  -5.892
  553   HG12  VAL  82          2HG1      VAL  82   4.174   0.641  -4.515
  554   HG13  VAL  82          3HG1      VAL  82   4.925  -0.934  -4.253
  555   HG21  VAL  82          3HG2      VAL  82   2.216  -2.493  -3.594
  556   HG22  VAL  82          1HG2      VAL  82   3.258  -1.256  -2.883
  557   HG23  VAL  82          2HG2      VAL  82   1.594  -0.867  -3.312
  558    H    ASP  83           H        ASP  83   2.981   2.101  -6.221
  559    HA   ASP  83           HA       ASP  83   3.473   1.303  -9.014
  560    HB2  ASP  83           2HB      ASP  83   1.694   3.098  -8.711
  561    HB3  ASP  83           1HB      ASP  83   2.987   4.144  -8.118
  562    H    HIS  84           H        HIS  84   5.430   2.158  -9.955
  563    HA   HIS  84           HA       HIS  84   7.346   2.984  -7.887
  564    HB2  HIS  84           2HB      HIS  84   7.547   0.639  -9.111
  565    HB3  HIS  84           1HB      HIS  84   8.358   1.625 -10.328
  566    HD1  HIS  84           1HD      HIS  84  10.379   3.192  -9.285
  567    HD2  HIS  84           2HD      HIS  84   9.169  -0.121  -7.070
  568    HE1  HIS  84           1HE      HIS  84  12.154   2.847  -7.545
  569    HE2  HIS  84           2HE      HIS  84  11.538   0.691  -6.396
  570    H    THR  85           H        THR  85   8.411   4.764  -8.159
  571    HA   THR  85           HA       THR  85   8.871   5.826 -10.843
  572    HB   THR  85           HB       THR  85   6.921   7.033  -9.909
  573    HG1  THR  85           1HG      THR  85   8.627   9.125  -9.714
  574   HG21  THR  85          3HG2      THR  85   8.206   8.632  -7.949
  575   HG22  THR  85          1HG2      THR  85   8.466   6.936  -7.540
  576   HG23  THR  85          2HG2      THR  85   6.830   7.548  -7.758
  577    H    GLU  86           H        GLU  86  10.563   7.769 -10.511
  578    HA   GLU  86           HA       GLU  86  12.843   6.527  -9.347
  579    HB2  GLU  86           2HB      GLU  86  12.519   9.378 -10.302
  580    HB3  GLU  86           1HB      GLU  86  14.046   8.565  -9.985
  581    HG2  GLU  86           2HG      GLU  86  12.038   7.824 -12.097
  582    HG3  GLU  86           1HG      GLU  86  13.576   8.641 -12.361
  583    H    GLU  87           H        GLU  87  10.418   8.557  -8.108
  584    HA   GLU  87           HA       GLU  87  11.910   9.603  -5.897
  585    HB2  GLU  87           2HB      GLU  87   8.962   9.443  -6.513
  586    HB3  GLU  87           1HB      GLU  87   9.576  10.112  -5.008
  587    HG2  GLU  87           2HG      GLU  87   9.239  11.977  -6.348
  588    HG3  GLU  87           1HG      GLU  87  10.971  11.672  -6.483
  589    H    GLY  88           H        GLY  88  10.822   6.557  -6.660
  590    HA2  GLY  88           1HA      GLY  88  11.560   4.807  -5.115
  591    HA3  GLY  88           2HA      GLY  88  10.883   5.771  -3.812
  592    HA   PRO  89           HA       PRO  89   7.676   2.585  -5.099
  593    HB2  PRO  89           2HB      PRO  89   7.741   1.997  -2.211
  594    HB3  PRO  89           1HB      PRO  89   7.816   0.888  -3.582
  595    HG2  PRO  89           2HG      PRO  89   9.957   1.380  -2.035
  596    HG3  PRO  89           1HG      PRO  89  10.105   1.068  -3.775
  597    HD2  PRO  89           2HD      PRO  89  10.199   3.669  -2.298
  598    HD3  PRO  89           1HD      PRO  89  11.186   3.116  -3.666
  599    H    VAL  90           H        VAL  90   5.742   3.555  -5.249
  600    HA   VAL  90           HA       VAL  90   4.861   5.292  -3.047
  601    HB   VAL  90           HB       VAL  90   3.976   6.848  -4.894
  602   HG11  VAL  90          1HG1      VAL  90   5.695   7.603  -3.434
  603   HG12  VAL  90          2HG1      VAL  90   6.906   6.605  -4.240
  604   HG13  VAL  90          3HG1      VAL  90   6.209   7.994  -5.074
  605   HG21  VAL  90          3HG2      VAL  90   5.234   6.852  -6.980
  606   HG22  VAL  90          1HG2      VAL  90   6.134   5.425  -6.463
  607   HG23  VAL  90          2HG2      VAL  90   4.398   5.314  -6.770
  608    H    CYS  91           H        CYS  91   2.531   6.134  -3.692
  609    HA   CYS  91           HA       CYS  91   0.832   3.861  -3.804
  610    HB2  CYS  91           2HB      CYS  91   0.610   6.642  -3.171
  611    HB3  CYS  91           1HB      CYS  91  -0.644   6.232  -4.338
  612    H    LYS  92           H        LYS  92  -0.537   3.179  -5.412
  613    HA   LYS  92           HA       LYS  92   0.130   3.977  -8.116
  614    HB2  LYS  92           2HB      LYS  92  -0.244   1.580  -7.459
  615    HB3  LYS  92           1HB      LYS  92  -1.939   1.968  -7.219
  616    HG2  LYS  92           2HG      LYS  92  -1.757   0.969  -9.358
  617    HG3  LYS  92           1HG      LYS  92  -2.017   2.696  -9.620
  618    HD2  LYS  92           2HD      LYS  92  -0.154   2.801 -10.820
  619    HD3  LYS  92           1HD      LYS  92   0.770   2.259  -9.421
  620    HE2  LYS  92           2HE      LYS  92  -0.389  -0.063 -10.338
  621    HE3  LYS  92           1HE      LYS  92  -0.002   0.806 -11.823
  622    HZ1  LYS  92           3HZ      LYS  92   1.868  -0.511 -11.244
  623    HZ2  LYS  92           1HZ      LYS  92   1.864   0.052  -9.644
  624    HZ3  LYS  92           2HZ      LYS  92   2.282   1.102 -10.905
  625    H    ASN  93           H        ASN  93  -2.561   4.262  -5.848
  626    HA   ASN  93           HA       ASN  93  -3.722   6.327  -7.523
  627    HB2  ASN  93           2HB      ASN  93  -4.895   3.640  -7.241
  628    HB3  ASN  93           1HB      ASN  93  -6.013   4.970  -6.949
  629   HD21  ASN  93          1HD2      ASN  93  -4.455   3.090  -9.247
  630   HD22  ASN  93          2HD2      ASN  93  -4.906   3.983 -10.663
  631    H    ILE  94           H        ILE  94  -5.307   4.407  -5.010
  632    HA   ILE  94           HA       ILE  94  -5.981   6.939  -3.722
  633    HB   ILE  94           HB       ILE  94  -7.122   4.179  -3.254
  634   HG12  ILE  94          2HG1      ILE  94  -8.791   6.207  -4.575
  635   HG13  ILE  94          1HG1      ILE  94  -7.397   5.697  -5.524
  636   HG21  ILE  94          1HG2      ILE  94  -8.425   6.778  -2.544
  637   HG22  ILE  94          2HG2      ILE  94  -8.795   5.154  -1.965
  638   HG23  ILE  94          3HG2      ILE  94  -7.323   5.964  -1.431
  639   HD11  ILE  94          3HD1      ILE  94  -8.116   3.371  -5.313
  640   HD12  ILE  94          1HD1      ILE  94  -9.519   3.896  -4.378
  641   HD13  ILE  94          2HD1      ILE  94  -9.353   4.377  -6.068
  642    H    VAL  95           H        VAL  95  -5.233   7.546  -1.770
  643    HA   VAL  95           HA       VAL  95  -3.531   5.661  -0.303
  644    HB   VAL  95           HB       VAL  95  -2.378   7.692  -0.778
  645   HG11  VAL  95          1HG1      VAL  95  -3.497   9.835   0.401
  646   HG12  VAL  95          2HG1      VAL  95  -3.743   9.406  -1.293
  647   HG13  VAL  95          3HG1      VAL  95  -4.948   8.956  -0.086
  648   HG21  VAL  95          3HG2      VAL  95  -3.122   8.324   2.022
  649   HG22  VAL  95          1HG2      VAL  95  -2.504   6.706   1.691
  650   HG23  VAL  95          2HG2      VAL  95  -1.533   8.118   1.285
  651    H    ALA  96           H        ALA  96  -4.068   4.914   1.691
  652    HA   ALA  96           HA       ALA  96  -6.123   6.208   3.267
  653    HB1  ALA  96           1HB      ALA  96  -6.779   3.388   2.875
  654    HB2  ALA  96           2HB      ALA  96  -7.832   4.802   2.911
  655    HB3  ALA  96           3HB      ALA  96  -6.976   4.378   1.429
  656    H    CYS  97           H        CYS  97  -6.511   4.991   5.332
  657    HA   CYS  97           HA       CYS  97  -4.013   3.717   6.212
  658    HB2  CYS  97           2HB      CYS  97  -5.886   4.531   8.308
  659    HB3  CYS  97           1HB      CYS  97  -4.160   4.846   8.160
  660    H    CYS  98           H        CYS  98  -4.035   1.652   6.865
  661    HA   CYS  98           HA       CYS  98  -6.635   0.323   7.221
  662    HB2  CYS  98           2HB      CYS  98  -5.765   0.189   4.830
  663    HB3  CYS  98           1HB      CYS  98  -4.450  -0.794   5.470
  664    HA   PRO  99           HA       PRO  99  -4.276  -1.603  10.481
  665    HB2  PRO  99           2HB      PRO  99  -6.223  -3.128  11.508
  666    HB3  PRO  99           1HB      PRO  99  -6.271  -1.370  11.641
  667    HG2  PRO  99           2HG      PRO  99  -7.740  -3.171   9.762
  668    HG3  PRO  99           1HG      PRO  99  -8.321  -1.733  10.625
  669    HD2  PRO  99           2HD      PRO  99  -7.507  -1.755   7.986
  670    HD3  PRO  99           1HD      PRO  99  -7.536  -0.315   9.021
  671    H    GLU 100           H        GLU 100  -3.008  -3.397  10.643
  672    HA   GLU 100           HA       GLU 100  -3.447  -5.651   8.899
  673    HB2  GLU 100           2HB      GLU 100  -1.206  -4.612  10.068
  674    HB3  GLU 100           1HB      GLU 100  -1.554  -5.971  11.132
  675    HG2  GLU 100           2HG      GLU 100  -0.473  -7.249   9.676
  676    HG3  GLU 100           1HG      GLU 100  -1.837  -7.020   8.582
  677    H    GLY 101           H        GLY 101  -4.623  -7.397   9.379
  678    HA2  GLY 101           1HA      GLY 101  -5.059  -9.017  11.311
  679    HA3  GLY 101           2HA      GLY 101  -5.697  -7.577  12.107
  680    H    THR 102           H        THR 102  -7.819  -7.223  11.877
  681    HA   THR 102           HA       THR 102  -9.100  -7.985   9.369
  682    HB   THR 102           HB       THR 102 -10.746  -8.782  11.631
  683    HG1  THR 102           1HG      THR 102  -8.293 -10.165  11.130
  684   HG21  THR 102          3HG2      THR 102  -9.852  -9.982   9.027
  685   HG22  THR 102          1HG2      THR 102 -11.454  -9.402   9.474
  686   HG23  THR 102          2HG2      THR 102 -10.828 -10.893  10.181
  687    H    THR 103           H        THR 103  -9.730  -6.035   8.832
  688    HA   THR 103           HA       THR 103 -12.188  -5.095   9.537
  689    HB   THR 103           HB       THR 103 -10.961  -2.716  10.368
  690    HG1  THR 103           1HG      THR 103  -9.977  -4.926  11.870
  691   HG21  THR 103          3HG2      THR 103 -13.093  -4.312  11.081
  692   HG22  THR 103          1HG2      THR 103 -12.680  -2.745  11.783
  693   HG23  THR 103          2HG2      THR 103 -12.125  -4.232  12.553
  694    H    ASN 104           H        ASN 104 -12.567  -2.854   8.600
  695    HA   ASN 104           HA       ASN 104 -11.347  -2.895   5.998
  696    HB2  ASN 104           2HB      ASN 104 -13.076  -0.605   6.591
  697    HB3  ASN 104           1HB      ASN 104 -13.168  -1.772   5.282
  698   HD21  ASN 104          1HD2      ASN 104 -15.018  -0.516   7.436
  699   HD22  ASN 104          2HD2      ASN 104 -15.960  -1.876   7.956
  700    H    CYS 105           H        CYS 105 -10.813  -0.698   5.019
  701    HA   CYS 105           HA       CYS 105  -8.985   0.679   6.871
  702    HB2  CYS 105           2HB      CYS 105  -8.576   0.954   3.951
  703    HB3  CYS 105           1HB      CYS 105  -7.395   0.755   5.240
  704    H    VAL 106           H        VAL 106  -8.898   2.923   6.856
  705    HA   VAL 106           HA       VAL 106 -11.321   4.183   5.821
  706    HB   VAL 106           HB       VAL 106 -11.031   5.906   7.418
  707   HG11  VAL 106          1HG1      VAL 106 -10.081   3.407   8.801
  708   HG12  VAL 106          2HG1      VAL 106 -11.016   4.731   9.499
  709   HG13  VAL 106          3HG1      VAL 106 -11.746   3.679   8.284
  710   HG21  VAL 106          3HG2      VAL 106  -8.635   6.313   7.103
  711   HG22  VAL 106          1HG2      VAL 106  -9.044   6.175   8.812
  712   HG23  VAL 106          2HG2      VAL 106  -8.269   4.827   7.981
  713    H    ALA 107           H        ALA 107 -11.315   5.826   4.365
  714    HA   ALA 107           HA       ALA 107  -8.696   6.459   3.174
  715    HB1  ALA 107           1HB      ALA 107 -10.092   5.236   1.642
  716    HB2  ALA 107           2HB      ALA 107 -11.416   6.373   1.882
  717    HB3  ALA 107           3HB      ALA 107  -9.935   6.900   1.082
  718    H    VAL 108           H        VAL 108  -7.998   8.465   3.303
  719    HA   VAL 108           HA       VAL 108  -9.896  10.544   4.134
  720    HB   VAL 108           HB       VAL 108  -7.363  11.625   4.454
  721   HG11  VAL 108          1HG1      VAL 108  -8.191  12.057   6.473
  722   HG12  VAL 108          2HG1      VAL 108  -9.618  11.146   5.984
  723   HG13  VAL 108          3HG1      VAL 108  -8.320  10.344   6.866
  724   HG21  VAL 108          3HG2      VAL 108  -7.323   8.682   4.957
  725   HG22  VAL 108          1HG2      VAL 108  -6.079   9.720   4.257
  726   HG23  VAL 108          2HG2      VAL 108  -6.389   9.760   5.994
  727    H    ASP 109           H        ASP 109  -8.901   9.496   1.381
  728    HA   ASP 109           HA       ASP 109  -8.328  12.154   0.236
  729    HB2  ASP 109           2HB      ASP 109  -6.466  10.603  -0.119
  730    HB3  ASP 109           1HB      ASP 109  -7.561   9.425  -0.835
  731    H    ASN 110           H        ASN 110  -9.270   9.186  -1.383
  732    HA   ASN 110           HA       ASN 110 -11.175   8.443  -2.340
  733    HB2  ASN 110           2HB      ASN 110 -12.461  10.838  -1.043
  734    HB3  ASN 110           1HB      ASN 110 -13.348   9.656  -1.999
  735   HD21  ASN 110          1HD2      ASN 110 -12.874  10.520   1.025
  736   HD22  ASN 110          2HD2      ASN 110 -12.936   8.988   1.823
  737    H    ALA 111           H        ALA 111 -10.908  11.942  -2.667
  738    HA   ALA 111           HA       ALA 111 -11.365  11.603  -5.563
  739    HB1  ALA 111           1HB      ALA 111 -13.052  12.910  -3.762
  740    HB2  ALA 111           2HB      ALA 111 -12.229  14.194  -4.649
  741    HB3  ALA 111           3HB      ALA 111 -13.124  12.952  -5.524
  742    H    GLY 112           H        GLY 112  -8.871  11.938  -3.873
  743    HA2  GLY 112           1HA      GLY 112  -7.890  14.436  -5.112
  744    HA3  GLY 112           2HA      GLY 112  -7.191  13.683  -3.686
  745    H    ALA 113           H        ALA 113  -7.695  11.056  -5.201
  746    HA   ALA 113           HA       ALA 113  -6.721   9.640  -6.676
  747    HB1  ALA 113           1HB      ALA 113  -5.417  12.052  -7.924
  748    HB2  ALA 113           2HB      ALA 113  -5.540  10.441  -8.624
  749    HB3  ALA 113           3HB      ALA 113  -6.993  11.405  -8.371
  750    H    GLY 114           H        GLY 114  -5.465  10.748  -4.154
  751    HA2  GLY 114           1HA      GLY 114  -3.619  10.231  -2.896
  752    HA3  GLY 114           2HA      GLY 114  -3.355   8.931  -4.046
  753    H    THR 115           H        THR 115  -3.103  12.479  -4.185
  754    HA   THR 115           HA       THR 115  -0.675  12.259  -5.725
  755    HB   THR 115           HB       THR 115  -2.472  14.038  -6.095
  756    HG1  THR 115           1HG      THR 115  -0.777  14.651  -7.213
  757   HG21  THR 115          3HG2      THR 115  -2.416  16.028  -4.764
  758   HG22  THR 115          1HG2      THR 115  -1.074  15.416  -3.802
  759   HG23  THR 115          2HG2      THR 115  -2.665  14.660  -3.680
  760    H    LYS 116           H        LYS 116   1.329  13.203  -5.100
  761    HA   LYS 116           HA       LYS 116   1.684  13.601  -2.215
  762    HB2  LYS 116           2HB      LYS 116   4.109  12.545  -3.105
  763    HB3  LYS 116           1HB      LYS 116   2.929  11.740  -2.085
  764    HG2  LYS 116           2HG      LYS 116   2.084  10.487  -3.815
  765    HG3  LYS 116           1HG      LYS 116   2.614  11.637  -5.046
  766    HD2  LYS 116           2HD      LYS 116   4.969  10.776  -3.804
  767    HD3  LYS 116           1HD      LYS 116   3.991   9.318  -3.970
  768    HE2  LYS 116           2HE      LYS 116   4.676   9.219  -6.086
  769    HE3  LYS 116           1HE      LYS 116   3.675  10.637  -6.396
  770    HZ1  LYS 116           3HZ      LYS 116   6.549  10.412  -6.219
  771    HZ2  LYS 116           1HZ      LYS 116   5.913  11.752  -5.397
  772    HZ3  LYS 116           2HZ      LYS 116   5.605  11.542  -7.049
  773    H    ALA 117           H        ALA 117   3.190  15.153  -1.644
  774    HA   ALA 117           HA       ALA 117   3.805  17.130  -3.597
  775    HB1  ALA 117           1HB      ALA 117   3.378  17.777  -1.309
  776    HB2  ALA 117           2HB      ALA 117   4.745  16.819  -0.747
  777    HB3  ALA 117           3HB      ALA 117   5.019  18.242  -1.749
  778    H    GLU 118           H        GLU 118   5.114  16.401  -5.172
  779    HA   GLU 118           HA       GLU 118   6.887  15.524  -6.278
  780    HB2  GLU 118           2HB      GLU 118   8.631  16.347  -3.973
  781    HB3  GLU 118           1HB      GLU 118   9.010  16.338  -5.689
  782    HG2  GLU 118           2HG      GLU 118   8.413  18.457  -5.861
  783    HG3  GLU 118           1HG      GLU 118   6.804  18.084  -5.245
  Start of MODEL    2
    1    H1   SER   1           1H       SER   1  15.674 -15.062   8.844
    2    H2   SER   1           2H       SER   1  17.356 -15.171   8.672
    3    H3   SER   1           3H       SER   1  16.354 -16.384   8.028
    4    HA   SER   1           HA       SER   1  15.988 -15.291   6.172
    5    HB2  SER   1           2HB      SER   1  15.874 -12.531   7.086
    6    HB3  SER   1           1HB      SER   1  14.628 -13.505   6.300
    7    HG   SER   1           HG       SER   1  14.243 -12.756   8.562
    8    H    LEU   2           H        LEU   2  17.320 -14.489   4.591
    9    HA   LEU   2           HA       LEU   2  19.901 -13.413   5.536
   10    HB2  LEU   2           2HB      LEU   2  19.288 -15.560   3.812
   11    HB3  LEU   2           1HB      LEU   2  19.953 -14.295   2.797
   12    HG   LEU   2           HG       LEU   2  21.927 -14.214   4.383
   13   HD11  LEU   2          1HD1      LEU   2  21.072 -15.238   6.334
   14   HD12  LEU   2          2HD1      LEU   2  20.534 -16.661   5.440
   15   HD13  LEU   2          3HD1      LEU   2  22.258 -16.362   5.671
   16   HD21  LEU   2          3HD2      LEU   2  22.833 -16.446   3.497
   17   HD22  LEU   2          1HD2      LEU   2  21.265 -16.612   2.703
   18   HD23  LEU   2          2HD2      LEU   2  22.309 -15.244   2.317
   19    HA   PRO   3           HA       PRO   3  18.457  -9.717   3.488
   20    HB2  PRO   3           2HB      PRO   3  20.383  -8.076   4.390
   21    HB3  PRO   3           1HB      PRO   3  19.086  -8.659   5.440
   22    HG2  PRO   3           2HG      PRO   3  21.919  -9.592   5.223
   23    HG3  PRO   3           1HG      PRO   3  20.914  -9.376   6.669
   24    HD2  PRO   3           2HD      PRO   3  21.380 -11.801   5.445
   25    HD3  PRO   3           1HD      PRO   3  19.969 -11.446   6.459
   26    H    ALA   4           H        ALA   4  20.976 -11.641   2.664
   27    HA   ALA   4           HA       ALA   4  22.196  -9.750   0.787
   28    HB1  ALA   4           1HB      ALA   4  23.641 -12.023   0.475
   29    HB2  ALA   4           2HB      ALA   4  24.012 -10.766   1.654
   30    HB3  ALA   4           3HB      ALA   4  23.106 -12.196   2.147
   31    H    SER   5           H        SER   5  19.798 -12.105   0.851
   32    HA   SER   5           HA       SER   5  20.246 -13.066  -1.849
   33    HB2  SER   5           2HB      SER   5  17.664 -13.705  -0.655
   34    HB3  SER   5           1HB      SER   5  18.924 -14.785  -1.252
   35    HG   SER   5           HG       SER   5  18.878 -15.157   0.889
   36    H    ALA   6           H        ALA   6  17.576 -11.394  -0.168
   37    HA   ALA   6           HA       ALA   6  16.613 -10.500  -2.790
   38    HB1  ALA   6           1HB      ALA   6  14.454 -10.358  -1.902
   39    HB2  ALA   6           2HB      ALA   6  15.128 -11.817  -1.171
   40    HB3  ALA   6           3HB      ALA   6  15.044 -10.321  -0.239
   41    H    ALA   7           H        ALA   7  15.246  -8.750  -0.282
   42    HA   ALA   7           HA       ALA   7  15.327  -6.591   0.400
   43    HB1  ALA   7           1HB      ALA   7  18.272  -6.629  -0.243
   44    HB2  ALA   7           2HB      ALA   7  17.427  -5.569   0.884
   45    HB3  ALA   7           3HB      ALA   7  17.582  -7.290   1.242
   46    H    LYS   8           H        LYS   8  15.028  -7.357  -2.478
   47    HA   LYS   8           HA       LYS   8  15.571  -4.716  -3.659
   48    HB2  LYS   8           2HB      LYS   8  16.571  -7.303  -4.483
   49    HB3  LYS   8           1HB      LYS   8  15.589  -6.588  -5.753
   50    HG2  LYS   8           2HG      LYS   8  16.971  -4.660  -5.861
   51    HG3  LYS   8           1HG      LYS   8  17.840  -5.122  -4.395
   52    HD2  LYS   8           2HD      LYS   8  18.684  -7.120  -5.591
   53    HD3  LYS   8           1HD      LYS   8  17.878  -6.554  -7.055
   54    HE2  LYS   8           2HE      LYS   8  19.586  -5.214  -7.531
   55    HE3  LYS   8           1HE      LYS   8  19.468  -4.443  -5.949
   56    HZ1  LYS   8           3HZ      LYS   8  21.456  -6.173  -6.883
   57    HZ2  LYS   8           1HZ      LYS   8  20.643  -6.970  -5.627
   58    HZ3  LYS   8           2HZ      LYS   8  21.333  -5.443  -5.354
   59    H    ASN   9           H        ASN   9  13.196  -5.812  -2.394
   60    HA   ASN   9           HA       ASN   9  11.385  -6.133  -4.671
   61    HB2  ASN   9           2HB      ASN   9   9.708  -6.713  -2.802
   62    HB3  ASN   9           1HB      ASN   9  10.977  -7.872  -3.158
   63   HD21  ASN   9          1HD2      ASN   9   9.295  -6.784  -0.731
   64   HD22  ASN   9          2HD2      ASN   9  10.463  -6.805   0.551
   65    H    ALA  10           H        ALA  10  10.489  -4.787  -1.529
   66    HA   ALA  10           HA       ALA  10  10.282  -2.116  -2.619
   67    HB1  ALA  10           1HB      ALA  10   7.839  -3.729  -1.920
   68    HB2  ALA  10           2HB      ALA  10   7.838  -1.972  -2.054
   69    HB3  ALA  10           3HB      ALA  10   8.226  -2.964  -3.462
   70    H    LYS  11           H        LYS  11  11.673  -1.546  -0.958
   71    HA   LYS  11           HA       LYS  11  10.964  -2.063   1.796
   72    HB2  LYS  11           2HB      LYS  11  13.088  -0.155   0.838
   73    HB3  LYS  11           1HB      LYS  11  13.000  -0.992   2.378
   74    HG2  LYS  11           2HG      LYS  11  14.208  -2.666   1.577
   75    HG3  LYS  11           1HG      LYS  11  13.060  -2.906   0.255
   76    HD2  LYS  11           2HD      LYS  11  14.759  -2.292  -1.073
   77    HD3  LYS  11           1HD      LYS  11  14.383  -0.649  -0.535
   78    HE2  LYS  11           2HE      LYS  11  16.339  -0.487   0.522
   79    HE3  LYS  11           1HE      LYS  11  16.049  -1.990   1.395
   80    HZ1  LYS  11           3HZ      LYS  11  17.400  -1.596  -1.202
   81    HZ2  LYS  11           1HZ      LYS  11  16.760  -3.108  -0.771
   82    HZ3  LYS  11           2HZ      LYS  11  17.968  -2.397   0.184
   83    H    LEU  12           H        LEU  12  10.059  -0.640   3.202
   84    HA   LEU  12           HA       LEU  12   9.010   1.839   2.064
   85    HB2  LEU  12           2HB      LEU  12   7.851  -0.048   3.677
   86    HB3  LEU  12           1HB      LEU  12   8.315   1.178   4.838
   87    HG   LEU  12           HG       LEU  12   6.095   1.685   4.246
   88   HD11  LEU  12          1HD1      LEU  12   8.189   3.402   3.054
   89   HD12  LEU  12          2HD1      LEU  12   6.516   3.747   2.610
   90   HD13  LEU  12          3HD1      LEU  12   7.001   3.763   4.307
   91   HD21  LEU  12          3HD2      LEU  12   5.881   2.163   1.573
   92   HD22  LEU  12          1HD2      LEU  12   6.931   0.746   1.607
   93   HD23  LEU  12          2HD2      LEU  12   5.350   0.692   2.388
   94    H    ALA  13           H        ALA  13  11.257   2.606   2.051
   95    HA   ALA  13           HA       ALA  13  11.725   4.275   4.365
   96    HB1  ALA  13           1HB      ALA  13  14.290   3.274   3.894
   97    HB2  ALA  13           2HB      ALA  13  13.280   2.983   5.312
   98    HB3  ALA  13           3HB      ALA  13  13.245   1.855   3.957
   99    H    THR  14           H        THR  14  13.048   3.087   1.297
  100    HA   THR  14           HA       THR  14  14.363   5.516   0.622
  101    HB   THR  14           HB       THR  14  13.611   3.828  -1.636
  102    HG1  THR  14           1HG      THR  14  15.281   2.508   0.217
  103   HG21  THR  14          3HG2      THR  14  15.486   5.080  -2.065
  104   HG22  THR  14          1HG2      THR  14  16.253   3.596  -1.497
  105   HG23  THR  14          2HG2      THR  14  16.076   4.970  -0.407
  106    H    SER  15           H        SER  15  11.132   4.362   0.344
  107    HA   SER  15           HA       SER  15  10.312   6.086  -1.793
  108    HB2  SER  15           2HB      SER  15   8.106   5.182  -0.228
  109    HB3  SER  15           1HB      SER  15   8.639   4.595  -1.807
  110    HG   SER  15           HG       SER  15   8.800   2.849  -0.505
  111    H    ALA  16           H        ALA  16  11.421   7.927  -0.446
  112    HA   ALA  16           HA       ALA  16  10.114   9.093   1.742
  113    HB1  ALA  16           1HB      ALA  16  11.966  10.094  -0.371
  114    HB2  ALA  16           2HB      ALA  16  11.173  11.254   0.694
  115    HB3  ALA  16           3HB      ALA  16  12.200   9.992   1.373
  116    H    ALA  17           H        ALA  17   9.486   9.224  -1.687
  117    HA   ALA  17           HA       ALA  17   7.643  11.356  -1.704
  118    HB1  ALA  17           1HB      ALA  17   8.544  10.714  -3.773
  119    HB2  ALA  17           2HB      ALA  17   8.106   9.023  -3.536
  120    HB3  ALA  17           3HB      ALA  17   6.851  10.223  -3.846
  121    H    PHE  18           H        PHE  18   7.329   7.956  -0.927
  122    HA   PHE  18           HA       PHE  18   4.508   7.798  -1.128
  123    HB2  PHE  18           2HB      PHE  18   5.932   5.793  -1.108
  124    HB3  PHE  18           1HB      PHE  18   6.412   6.143   0.550
  125    HD1  PHE  18           2HD      PHE  18   3.264   5.726  -1.429
  126    HD2  PHE  18           1HD      PHE  18   5.340   4.970   2.210
  127    HE1  PHE  18           2HE      PHE  18   1.332   4.449  -0.596
  128    HE2  PHE  18           1HE      PHE  18   3.413   3.693   3.049
  129    HZ   PHE  18           HZ       PHE  18   1.405   3.432   1.648
  130    H    ALA  19           H        ALA  19   6.726   8.585   1.502
  131    HA   ALA  19           HA       ALA  19   4.624   8.861   3.431
  132    HB1  ALA  19           1HB      ALA  19   7.524   9.003   3.415
  133    HB2  ALA  19           2HB      ALA  19   6.772  10.191   4.477
  134    HB3  ALA  19           3HB      ALA  19   6.415   8.478   4.680
  135    H    LYS  20           H        LYS  20   6.302  10.981   1.200
  136    HA   LYS  20           HA       LYS  20   5.533  13.487   2.149
  137    HB2  LYS  20           2HB      LYS  20   6.358  12.339  -0.403
  138    HB3  LYS  20           1HB      LYS  20   5.197  13.641  -0.614
  139    HG2  LYS  20           2HG      LYS  20   6.604  15.206   0.421
  140    HG3  LYS  20           1HG      LYS  20   7.648  13.948   1.085
  141    HD2  LYS  20           2HD      LYS  20   8.901  13.909  -0.764
  142    HD3  LYS  20           1HD      LYS  20   7.477  13.741  -1.790
  143    HE2  LYS  20           2HE      LYS  20   8.290  16.387  -0.620
  144    HE3  LYS  20           1HE      LYS  20   8.955  15.801  -2.142
  145    HZ1  LYS  20           3HZ      LYS  20   6.477  15.498  -2.760
  146    HZ2  LYS  20           1HZ      LYS  20   7.155  17.054  -2.826
  147    HZ3  LYS  20           2HZ      LYS  20   6.189  16.601  -1.505
  148    H    GLN  21           H        GLN  21   3.842  11.175   0.144
  149    HA   GLN  21           HA       GLN  21   1.424  12.453  -0.302
  150    HB2  GLN  21           2HB      GLN  21   2.490   9.745  -0.339
  151    HB3  GLN  21           1HB      GLN  21   0.798   9.780   0.114
  152    HG2  GLN  21           2HG      GLN  21   0.141  10.265  -1.966
  153    HG3  GLN  21           1HG      GLN  21   1.429  11.447  -2.196
  154   HE21  GLN  21          1HE2      GLN  21   2.990   8.811  -1.172
  155   HE22  GLN  21          2HE2      GLN  21   3.361   8.062  -2.682
  156    H    ALA  22           H        ALA  22   2.411  10.385   2.400
  157    HA   ALA  22           HA       ALA  22  -0.180  10.556   3.659
  158    HB1  ALA  22           1HB      ALA  22   1.762   9.388   5.374
  159    HB2  ALA  22           2HB      ALA  22   0.443   8.608   4.504
  160    HB3  ALA  22           3HB      ALA  22   2.019   8.787   3.736
  161    H    GLU  23           H        GLU  23   2.306  12.683   3.549
  162    HA   GLU  23           HA       GLU  23   2.479  13.362   6.333
  163    HB2  GLU  23           2HB      GLU  23   3.741  14.236   3.843
  164    HB3  GLU  23           1HB      GLU  23   3.425  15.557   4.963
  165    HG2  GLU  23           2HG      GLU  23   4.858  13.030   5.731
  166    HG3  GLU  23           1HG      GLU  23   5.674  14.492   5.174
  167    H    GLY  24           H        GLY  24   0.305  14.027   3.806
  168    HA2  GLY  24           1HA      GLY  24  -0.784  16.382   5.177
  169    HA3  GLY  24           2HA      GLY  24  -1.273  15.792   3.593
  170    H    THR  25           H        THR  25  -1.121  13.065   5.229
  171    HA   THR  25           HA       THR  25  -3.943  13.198   6.045
  172    HB   THR  25           HB       THR  25  -2.917  10.506   5.782
  173    HG1  THR  25           1HG      THR  25  -2.783  12.106   3.417
  174   HG21  THR  25          3HG2      THR  25  -4.814  11.371   3.764
  175   HG22  THR  25          1HG2      THR  25  -5.291  11.893   5.380
  176   HG23  THR  25          2HG2      THR  25  -5.007  10.185   5.055
  177    H    THR  26           H        THR  26  -4.432  11.384   7.757
  178    HA   THR  26           HA       THR  26  -2.312  11.501   9.799
  179    HB   THR  26           HB       THR  26  -5.105  11.165  10.714
  180    HG1  THR  26           1HG      THR  26  -4.113  13.663   9.749
  181   HG21  THR  26          3HG2      THR  26  -2.691  11.637  11.917
  182   HG22  THR  26          1HG2      THR  26  -4.267  11.933  12.657
  183   HG23  THR  26          2HG2      THR  26  -3.401  13.249  11.866
  184    H    CYS  27           H        CYS  27  -1.439   9.518   9.474
  185    HA   CYS  27           HA       CYS  27  -3.059   7.277  10.393
  186    HB2  CYS  27           2HB      CYS  27  -1.211   6.576   8.197
  187    HB3  CYS  27           1HB      CYS  27  -2.812   5.949   8.563
  188    H    ASN  28           H        ASN  28  -1.712   5.499  11.183
  189    HA   ASN  28           HA       ASN  28   0.714   6.611  12.374
  190    HB2  ASN  28           2HB      ASN  28  -1.335   5.348  13.567
  191    HB3  ASN  28           1HB      ASN  28  -0.315   3.956  13.228
  192   HD21  ASN  28          1HD2      ASN  28  -0.969   6.421  15.361
  193   HD22  ASN  28          2HD2      ASN  28   0.466   6.330  16.324
  194    H    VAL  29           H        VAL  29   2.492   4.909  12.794
  195    HA   VAL  29           HA       VAL  29   3.412   3.999  10.263
  196    HB   VAL  29           HB       VAL  29   5.048   4.713  11.868
  197   HG11  VAL  29          1HG1      VAL  29   5.062   2.575  13.756
  198   HG12  VAL  29          2HG1      VAL  29   4.890   4.307  14.039
  199   HG13  VAL  29          3HG1      VAL  29   3.463   3.315  13.731
  200   HG21  VAL  29          3HG2      VAL  29   5.079   1.924  10.914
  201   HG22  VAL  29          1HG2      VAL  29   6.218   3.240  10.623
  202   HG23  VAL  29          2HG2      VAL  29   6.278   2.342  12.139
  203    H    GLY  30           H        GLY  30   3.124   2.092   9.285
  204    HA2  GLY  30           1HA      GLY  30   2.780  -0.241   9.148
  205    HA3  GLY  30           2HA      GLY  30   2.282  -0.243  10.838
  206    H    SER  31           H        SER  31   0.506   1.983  10.588
  207    HA   SER  31           HA       SER  31  -1.751   0.651   9.319
  208    HB2  SER  31           2HB      SER  31  -2.502   3.090  10.595
  209    HB3  SER  31           1HB      SER  31  -2.853   1.439  11.103
  210    HG   SER  31           HG       SER  31  -0.873   1.414  12.216
  211    H    ILE  32           H        ILE  32   0.385   2.013   7.832
  212    HA   ILE  32           HA       ILE  32  -1.194   4.100   6.505
  213    HB   ILE  32           HB       ILE  32   1.283   4.436   7.579
  214   HG12  ILE  32          2HG1      ILE  32   0.893   6.013   5.148
  215   HG13  ILE  32          1HG1      ILE  32  -0.524   5.937   6.192
  216   HG21  ILE  32          1HG2      ILE  32   2.739   3.290   6.278
  217   HG22  ILE  32          2HG2      ILE  32   1.696   3.363   4.858
  218   HG23  ILE  32          3HG2      ILE  32   2.646   4.772   5.324
  219   HD11  ILE  32          3HD1      ILE  32   2.179   7.079   6.745
  220   HD12  ILE  32          1HD1      ILE  32   0.586   7.807   6.954
  221   HD13  ILE  32          2HD1      ILE  32   1.139   6.559   8.072
  222    H    ALA  33           H        ALA  33  -1.695   3.813   4.376
  223    HA   ALA  33           HA       ALA  33  -0.436   1.646   2.913
  224    HB1  ALA  33           1HB      ALA  33  -1.950   0.099   3.343
  225    HB2  ALA  33           2HB      ALA  33  -2.804   1.219   4.406
  226    HB3  ALA  33           3HB      ALA  33  -3.213   1.143   2.691
  227    H    CYS  34           H        CYS  34  -1.789   1.262   0.821
  228    HA   CYS  34           HA       CYS  34  -2.675   3.862  -0.236
  229    HB2  CYS  34           2HB      CYS  34  -0.404   2.883  -1.076
  230    HB3  CYS  34           1HB      CYS  34  -1.416   1.750  -1.966
  231    H    CYS  35           H        CYS  35  -4.628   3.861  -1.198
  232    HA   CYS  35           HA       CYS  35  -6.018   1.276  -1.371
  233    HB2  CYS  35           2HB      CYS  35  -6.888   4.105  -0.966
  234    HB3  CYS  35           1HB      CYS  35  -8.006   3.000  -1.760
  235    H    ASN  36           H        ASN  36  -6.289   0.392  -3.298
  236    HA   ASN  36           HA       ASN  36  -5.963   2.100  -5.668
  237    HB2  ASN  36           2HB      ASN  36  -4.149   0.444  -5.355
  238    HB3  ASN  36           1HB      ASN  36  -5.344  -0.850  -5.378
  239   HD21  ASN  36          1HD2      ASN  36  -6.111  -1.573  -7.292
  240   HD22  ASN  36          2HD2      ASN  36  -5.560  -1.001  -8.831
  241    H    SER  37           H        SER  37  -7.310   1.772  -7.431
  242    HA   SER  37           HA       SER  37  -9.978   1.245  -6.944
  243    HB2  SER  37           2HB      SER  37  -8.517   1.066  -9.595
  244    HB3  SER  37           1HB      SER  37 -10.257   1.255  -9.388
  245    HG   SER  37           HG       SER  37  -8.208   3.095  -8.671
  246    HA   PRO  38           HA       PRO  38 -10.288  -3.058  -6.279
  247    HB2  PRO  38           2HB      PRO  38 -12.917  -2.839  -7.651
  248    HB3  PRO  38           1HB      PRO  38 -12.529  -3.468  -6.047
  249    HG2  PRO  38           2HG      PRO  38 -13.680  -1.079  -6.339
  250    HG3  PRO  38           1HG      PRO  38 -12.452  -1.365  -5.092
  251    HD2  PRO  38           2HD      PRO  38 -12.221   0.074  -7.696
  252    HD3  PRO  38           1HD      PRO  38 -11.441   0.417  -6.137
  253    H    ALA  39           H        ALA  39 -11.218  -1.940  -9.513
  254    HA   ALA  39           HA       ALA  39 -11.317  -4.523 -10.660
  255    HB1  ALA  39           1HB      ALA  39 -12.082  -2.045 -11.474
  256    HB2  ALA  39           2HB      ALA  39 -10.654  -2.318 -12.474
  257    HB3  ALA  39           3HB      ALA  39 -11.993  -3.463 -12.521
  258    H    GLU  40           H        GLU  40  -8.683  -2.527  -9.819
  259    HA   GLU  40           HA       GLU  40  -6.897  -4.006 -11.618
  260    HB2  GLU  40           2HB      GLU  40  -6.082  -1.668  -9.902
  261    HB3  GLU  40           1HB      GLU  40  -5.272  -2.309 -11.327
  262    HG2  GLU  40           2HG      GLU  40  -7.990  -1.032 -11.423
  263    HG3  GLU  40           1HG      GLU  40  -6.492  -0.129 -11.625
  264    H    THR  41           H        THR  41  -7.460  -3.169  -8.243
  265    HA   THR  41           HA       THR  41  -5.382  -4.659  -7.082
  266    HB   THR  41           HB       THR  41  -8.083  -4.372  -5.794
  267    HG1  THR  41           1HG      THR  41  -7.420  -2.202  -5.241
  268   HG21  THR  41          3HG2      THR  41  -5.356  -3.876  -4.631
  269   HG22  THR  41          1HG2      THR  41  -6.101  -5.476  -4.653
  270   HG23  THR  41          2HG2      THR  41  -6.876  -4.149  -3.780
  271    H    ASN  42           H        ASN  42  -8.488  -5.572  -8.375
  272    HA   ASN  42           HA       ASN  42  -8.137  -8.331  -7.427
  273    HB2  ASN  42           2HB      ASN  42 -10.449  -6.613  -7.943
  274    HB3  ASN  42           1HB      ASN  42 -10.592  -8.213  -8.656
  275   HD21  ASN  42          1HD2      ASN  42  -9.015  -7.184  -5.690
  276   HD22  ASN  42          2HD2      ASN  42  -9.971  -8.155  -4.624
  277    H    ASN  43           H        ASN  43  -6.981  -6.757  -9.847
  278    HA   ASN  43           HA       ASN  43  -7.997  -7.908 -12.203
  279    HB2  ASN  43           2HB      ASN  43  -6.209  -5.976 -11.752
  280    HB3  ASN  43           1HB      ASN  43  -5.091  -7.298 -12.082
  281   HD21  ASN  43          1HD2      ASN  43  -7.158  -4.981 -13.378
  282   HD22  ASN  43          2HD2      ASN  43  -7.061  -5.466 -15.037
  283    H    ASP  44           H        ASP  44  -5.378  -8.916 -10.065
  284    HA   ASP  44           HA       ASP  44  -5.221 -11.481 -11.460
  285    HB2  ASP  44           2HB      ASP  44  -3.129 -10.191 -10.695
  286    HB3  ASP  44           1HB      ASP  44  -3.581 -10.651  -9.055
  287    H    SER  45           H        SER  45  -6.180 -13.262 -10.668
  288    HA   SER  45           HA       SER  45  -7.945 -13.063  -8.453
  289    HB2  SER  45           2HB      SER  45  -7.001 -15.523  -9.941
  290    HB3  SER  45           1HB      SER  45  -8.407 -15.430  -8.877
  291    HG   SER  45           HG       SER  45  -9.346 -13.954 -10.312
  292    H    LEU  46           H        LEU  46  -4.654 -14.021  -8.870
  293    HA   LEU  46           HA       LEU  46  -4.373 -15.336  -6.330
  294    HB2  LEU  46           2HB      LEU  46  -2.846 -15.323  -8.521
  295    HB3  LEU  46           1HB      LEU  46  -2.064 -14.007  -7.669
  296    HG   LEU  46           HG       LEU  46  -2.097 -15.827  -5.703
  297   HD11  LEU  46          1HD1      LEU  46  -1.529 -18.028  -6.627
  298   HD12  LEU  46          2HD1      LEU  46  -3.176 -17.549  -7.037
  299   HD13  LEU  46          3HD1      LEU  46  -1.897 -17.434  -8.246
  300   HD21  LEU  46          3HD2      LEU  46   0.203 -16.524  -7.029
  301   HD22  LEU  46          1HD2      LEU  46  -0.186 -14.950  -7.719
  302   HD23  LEU  46          2HD2      LEU  46   0.009 -15.121  -5.976
  303    H    LEU  47           H        LEU  47  -4.125 -12.079  -7.574
  304    HA   LEU  47           HA       LEU  47  -2.882 -10.876  -5.342
  305    HB2  LEU  47           2HB      LEU  47  -3.682 -10.025  -7.818
  306    HB3  LEU  47           1HB      LEU  47  -4.838  -9.207  -6.774
  307    HG   LEU  47           HG       LEU  47  -1.975  -9.044  -5.998
  308   HD11  LEU  47          1HD1      LEU  47  -1.296  -8.371  -8.002
  309   HD12  LEU  47          2HD1      LEU  47  -2.945  -8.232  -8.613
  310   HD13  LEU  47          3HD1      LEU  47  -2.231  -6.906  -7.697
  311   HD21  LEU  47          3HD2      LEU  47  -2.607  -6.825  -5.310
  312   HD22  LEU  47          1HD2      LEU  47  -4.166  -6.974  -6.121
  313   HD23  LEU  47          2HD2      LEU  47  -3.805  -7.977  -4.715
  314    H    SER  48           H        SER  48  -6.189 -11.711  -6.076
  315    HA   SER  48           HA       SER  48  -7.479 -10.239  -4.073
  316    HB2  SER  48           2HB      SER  48  -8.469 -11.559  -6.057
  317    HB3  SER  48           1HB      SER  48  -8.413 -12.956  -4.980
  318    HG   SER  48           HG       SER  48  -9.656 -11.637  -3.480
  319    H    GLY  49           H        GLY  49  -5.551 -13.113  -3.892
  320    HA2  GLY  49           1HA      GLY  49  -6.296 -13.434  -1.055
  321    HA3  GLY  49           2HA      GLY  49  -5.470 -14.644  -2.029
  322    H    LEU  50           H        LEU  50  -4.002 -12.036  -3.042
  323    HA   LEU  50           HA       LEU  50  -1.718 -12.404  -1.319
  324    HB2  LEU  50           2HB      LEU  50  -2.207 -11.522  -3.992
  325    HB3  LEU  50           1HB      LEU  50  -1.307 -10.275  -3.152
  326    HG   LEU  50           HG       LEU  50   0.456 -11.862  -2.616
  327   HD11  LEU  50          1HD1      LEU  50   0.263 -14.130  -3.873
  328   HD12  LEU  50          2HD1      LEU  50  -0.522 -13.925  -2.304
  329   HD13  LEU  50          3HD1      LEU  50  -1.470 -13.817  -3.786
  330   HD21  LEU  50          3HD2      LEU  50   0.973 -12.544  -5.098
  331   HD22  LEU  50          1HD2      LEU  50  -0.419 -11.517  -5.445
  332   HD23  LEU  50          2HD2      LEU  50   0.983 -10.850  -4.609
  333    H    LEU  51           H        LEU  51  -4.290 -10.133  -1.727
  334    HA   LEU  51           HA       LEU  51  -3.052  -8.026  -0.226
  335    HB2  LEU  51           2HB      LEU  51  -5.508  -7.233  -0.051
  336    HB3  LEU  51           1HB      LEU  51  -4.709  -7.203  -1.610
  337    HG   LEU  51           HG       LEU  51  -5.867  -9.654  -1.701
  338   HD11  LEU  51          1HD1      LEU  51  -8.236  -9.252  -0.939
  339   HD12  LEU  51          2HD1      LEU  51  -7.054  -9.543   0.337
  340   HD13  LEU  51          3HD1      LEU  51  -7.610  -7.901   0.008
  341   HD21  LEU  51          3HD2      LEU  51  -7.814  -8.237  -2.816
  342   HD22  LEU  51          1HD2      LEU  51  -6.620  -6.950  -2.648
  343   HD23  LEU  51          2HD2      LEU  51  -6.224  -8.407  -3.560
  344    H    GLY  52           H        GLY  52  -4.944 -10.844   0.487
  345    HA2  GLY  52           1HA      GLY  52  -5.305 -10.005   3.267
  346    HA3  GLY  52           2HA      GLY  52  -6.097 -11.366   2.488
  347    H    ALA  53           H        ALA  53  -3.043 -10.200   3.800
  348    HA   ALA  53           HA       ALA  53  -1.788 -12.786   3.728
  349    HB1  ALA  53           1HB      ALA  53   0.105 -11.726   4.410
  350    HB2  ALA  53           2HB      ALA  53  -0.781 -10.290   3.894
  351    HB3  ALA  53           3HB      ALA  53  -0.744 -10.741   5.600
  352    H    GLY  54           H        GLY  54  -4.174 -11.426   5.548
  353    HA2  GLY  54           1HA      GLY  54  -4.044 -13.602   7.466
  354    HA3  GLY  54           2HA      GLY  54  -4.041 -11.974   8.139
  355    H    LEU  55           H        LEU  55  -6.009 -11.475   8.866
  356    HA   LEU  55           HA       LEU  55  -8.338 -12.409   7.328
  357    HB2  LEU  55           2HB      LEU  55  -9.050 -11.290   9.879
  358    HB3  LEU  55           1HB      LEU  55  -9.331 -12.907   9.266
  359    HG   LEU  55           HG       LEU  55  -6.633 -12.230  10.357
  360   HD11  LEU  55          1HD1      LEU  55  -7.983 -11.406  12.115
  361   HD12  LEU  55          2HD1      LEU  55  -9.109 -12.756  11.974
  362   HD13  LEU  55          3HD1      LEU  55  -7.481 -13.029  12.587
  363   HD21  LEU  55          3HD2      LEU  55  -7.778 -14.497   9.299
  364   HD22  LEU  55          1HD2      LEU  55  -6.325 -14.439  10.301
  365   HD23  LEU  55          2HD2      LEU  55  -7.896 -14.760  11.039
  366    H    LEU  56           H        LEU  56  -7.355 -10.445   6.037
  367    HA   LEU  56           HA       LEU  56  -7.863  -7.850   7.175
  368    HB2  LEU  56           2HB      LEU  56  -6.413  -8.950   4.933
  369    HB3  LEU  56           1HB      LEU  56  -7.355  -7.557   4.449
  370    HG   LEU  56           HG       LEU  56  -5.219  -7.662   6.571
  371   HD11  LEU  56          1HD1      LEU  56  -4.224  -5.895   5.088
  372   HD12  LEU  56          2HD1      LEU  56  -4.279  -7.518   4.398
  373   HD13  LEU  56          3HD1      LEU  56  -5.457  -6.305   3.895
  374   HD21  LEU  56          3HD2      LEU  56  -7.337  -5.637   6.021
  375   HD22  LEU  56          1HD2      LEU  56  -6.657  -6.171   7.558
  376   HD23  LEU  56          2HD2      LEU  56  -5.733  -5.090   6.513
  377    H    ASN  57           H        ASN  57  -8.997  -6.207   5.835
  378    HA   ASN  57           HA       ASN  57 -11.314  -7.261   4.390
  379    HB2  ASN  57           2HB      ASN  57 -11.712  -6.406   6.843
  380    HB3  ASN  57           1HB      ASN  57 -11.531  -4.813   6.119
  381   HD21  ASN  57          1HD2      ASN  57 -13.840  -5.383   7.324
  382   HD22  ASN  57          2HD2      ASN  57 -15.092  -5.645   6.174
  383    H    GLY  58           H        GLY  58 -12.420  -5.079   3.421
  384    HA2  GLY  58           1HA      GLY  58 -10.251  -4.013   1.744
  385    HA3  GLY  58           2HA      GLY  58 -11.944  -4.102   1.287
  386    H    LEU  59           H        LEU  59 -12.541  -2.080   0.906
  387    HA   LEU  59           HA       LEU  59 -11.527   0.141   2.429
  388    HB2  LEU  59           2HB      LEU  59 -12.111   0.093  -0.067
  389    HB3  LEU  59           1HB      LEU  59 -13.785   0.196   0.435
  390    HG   LEU  59           HG       LEU  59 -13.513   2.375   1.290
  391   HD11  LEU  59          1HD1      LEU  59 -11.620   2.557   2.526
  392   HD12  LEU  59          2HD1      LEU  59 -10.646   1.648   1.369
  393   HD13  LEU  59          3HD1      LEU  59 -11.040   3.338   1.052
  394   HD21  LEU  59          3HD2      LEU  59 -11.813   2.234  -1.192
  395   HD22  LEU  59          1HD2      LEU  59 -13.576   2.205  -1.168
  396   HD23  LEU  59          2HD2      LEU  59 -12.710   3.634  -0.600
  397    H    SER  60           H        SER  60 -12.812   1.574   3.681
  398    HA   SER  60           HA       SER  60 -14.583   0.356   5.470
  399    HB2  SER  60           2HB      SER  60 -13.166   2.653   5.483
  400    HB3  SER  60           1HB      SER  60 -14.765   3.303   5.150
  401    HG   SER  60           HG       SER  60 -14.087   1.580   7.312
  402    H    GLY  61           H        GLY  61 -16.234  -0.664   4.324
  403    HA2  GLY  61           1HA      GLY  61 -18.585  -0.529   3.993
  404    HA3  GLY  61           2HA      GLY  61 -18.399   1.148   3.506
  405    H    ASN  62           H        ASN  62 -15.968  -0.437   1.975
  406    HA   ASN  62           HA       ASN  62 -17.668  -1.051  -0.350
  407    HB2  ASN  62           2HB      ASN  62 -16.305   1.143  -0.429
  408    HB3  ASN  62           1HB      ASN  62 -14.900   0.098  -0.624
  409   HD21  ASN  62          1HD2      ASN  62 -14.336   0.370  -2.673
  410   HD22  ASN  62          2HD2      ASN  62 -15.380   0.146  -4.030
  411    H    THR  63           H        THR  63 -17.625  -3.218  -0.385
  412    HA   THR  63           HA       THR  63 -15.273  -4.719   0.280
  413    HB   THR  63           HB       THR  63 -17.101  -6.418  -0.995
  414    HG1  THR  63           1HG      THR  63 -19.068  -5.817   0.106
  415   HG21  THR  63          3HG2      THR  63 -17.501  -6.210   1.876
  416   HG22  THR  63          1HG2      THR  63 -15.790  -6.210   1.441
  417   HG23  THR  63          2HG2      THR  63 -16.831  -7.534   0.923
  418    H    GLY  64           H        GLY  64 -13.948  -3.629  -1.417
  419    HA2  GLY  64           1HA      GLY  64 -13.642  -5.364  -3.665
  420    HA3  GLY  64           2HA      GLY  64 -14.283  -3.798  -4.146
  421    H    SER  65           H        SER  65 -13.006  -1.978  -2.787
  422    HA   SER  65           HA       SER  65 -10.321  -2.080  -3.763
  423    HB2  SER  65           2HB      SER  65 -10.813   0.136  -1.981
  424    HB3  SER  65           1HB      SER  65 -10.549   0.149  -3.725
  425    HG   SER  65           HG       SER  65 -12.570   0.889  -3.579
  426    H    ALA  66           H        ALA  66  -9.670  -3.952  -2.473
  427    HA   ALA  66           HA       ALA  66  -9.222  -3.619   0.335
  428    HB1  ALA  66           1HB      ALA  66  -7.656  -5.592  -0.009
  429    HB2  ALA  66           2HB      ALA  66  -9.352  -5.855  -0.420
  430    HB3  ALA  66           3HB      ALA  66  -8.168  -5.573  -1.696
  431    H    CYS  67           H        CYS  67  -7.599  -2.503   1.285
  432    HA   CYS  67           HA       CYS  67  -5.488  -1.481  -0.487
  433    HB2  CYS  67           2HB      CYS  67  -6.353  -0.206   2.103
  434    HB3  CYS  67           1HB      CYS  67  -5.470   0.525   0.762
  435    H    ALA  68           H        ALA  68  -3.435  -1.909  -0.026
  436    HA   ALA  68           HA       ALA  68  -2.933  -3.537   2.361
  437    HB1  ALA  68           1HB      ALA  68  -2.596  -4.662   0.202
  438    HB2  ALA  68           2HB      ALA  68  -1.382  -3.452  -0.220
  439    HB3  ALA  68           3HB      ALA  68  -1.104  -4.545   1.137
  440    H    LYS  69           H        LYS  69  -1.125  -3.178   3.615
  441    HA   LYS  69           HA       LYS  69  -0.134  -0.423   3.436
  442    HB2  LYS  69           2HB      LYS  69   0.562  -1.390   5.942
  443    HB3  LYS  69           1HB      LYS  69  -0.794  -0.333   5.572
  444    HG2  LYS  69           2HG      LYS  69  -1.124  -3.287   5.337
  445    HG3  LYS  69           1HG      LYS  69  -1.146  -2.526   6.926
  446    HD2  LYS  69           2HD      LYS  69  -3.142  -1.510   6.563
  447    HD3  LYS  69           1HD      LYS  69  -2.823  -1.256   4.845
  448    HE2  LYS  69           2HE      LYS  69  -4.666  -2.848   5.279
  449    HE3  LYS  69           1HE      LYS  69  -3.337  -3.548   4.355
  450    HZ1  LYS  69           3HZ      LYS  69  -2.492  -4.463   6.491
  451    HZ2  LYS  69           1HZ      LYS  69  -3.978  -5.104   5.998
  452    HZ3  LYS  69           2HZ      LYS  69  -3.933  -3.948   7.229
  453    H    ALA  70           H        ALA  70   2.060  -0.425   4.928
  454    HA   ALA  70           HA       ALA  70   4.041  -1.337   3.199
  455    HB1  ALA  70           1HB      ALA  70   4.386   0.492   4.768
  456    HB2  ALA  70           2HB      ALA  70   4.324  -0.647   6.114
  457    HB3  ALA  70           3HB      ALA  70   5.634  -0.744   4.937
  458    H    SER  71           H        SER  71   2.510  -2.930   5.898
  459    HA   SER  71           HA       SER  71   4.389  -4.980   6.317
  460    HB2  SER  71           2HB      SER  71   1.904  -6.087   6.864
  461    HB3  SER  71           1HB      SER  71   2.909  -5.186   8.001
  462    HG   SER  71           HG       SER  71   0.515  -4.527   7.037
  463    H    LEU  72           H        LEU  72   1.608  -4.674   4.189
  464    HA   LEU  72           HA       LEU  72   1.843  -7.310   3.093
  465    HB2  LEU  72           2HB      LEU  72   0.052  -5.030   2.864
  466    HB3  LEU  72           1HB      LEU  72   0.359  -5.794   1.315
  467    HG   LEU  72           HG       LEU  72  -1.588  -6.784   2.209
  468   HD11  LEU  72          1HD1      LEU  72  -0.886  -9.142   2.538
  469   HD12  LEU  72          2HD1      LEU  72  -0.153  -8.370   1.131
  470   HD13  LEU  72          3HD1      LEU  72   0.786  -8.587   2.608
  471   HD21  LEU  72          3HD2      LEU  72  -0.278  -6.349   4.697
  472   HD22  LEU  72          1HD2      LEU  72  -1.955  -6.814   4.402
  473   HD23  LEU  72          2HD2      LEU  72  -0.710  -8.054   4.578
  474    H    ILE  73           H        ILE  73   2.839  -4.070   2.209
  475    HA   ILE  73           HA       ILE  73   3.580  -4.667  -0.429
  476    HB   ILE  73           HB       ILE  73   4.205  -2.431   1.462
  477   HG12  ILE  73          2HG1      ILE  73   3.295  -1.920  -1.285
  478   HG13  ILE  73          1HG1      ILE  73   2.201  -2.919  -0.333
  479   HG21  ILE  73          1HG2      ILE  73   5.878  -1.495   0.251
  480   HG22  ILE  73          2HG2      ILE  73   6.210  -3.178  -0.159
  481   HG23  ILE  73          3HG2      ILE  73   5.294  -2.164  -1.272
  482   HD11  ILE  73          3HD1      ILE  73   2.501  -0.115  -0.304
  483   HD12  ILE  73          1HD1      ILE  73   1.412  -1.118   0.655
  484   HD13  ILE  73          2HD1      ILE  73   3.020  -0.727   1.267
  485    H    ASP  74           H        ASP  74   5.316  -4.789   2.634
  486    HA   ASP  74           HA       ASP  74   7.838  -5.527   1.525
  487    HB2  ASP  74           2HB      ASP  74   7.350  -4.554   3.855
  488    HB3  ASP  74           1HB      ASP  74   6.885  -6.190   4.304
  489    H    GLN  75           H        GLN  75   5.056  -7.303   2.771
  490    HA   GLN  75           HA       GLN  75   6.418  -9.825   2.821
  491    HB2  GLN  75           2HB      GLN  75   4.067  -8.792   3.927
  492    HB3  GLN  75           1HB      GLN  75   3.538 -10.057   2.824
  493    HG2  GLN  75           2HG      GLN  75   3.843 -11.277   4.716
  494    HG3  GLN  75           1HG      GLN  75   5.441 -11.432   3.991
  495   HE21  GLN  75          1HE2      GLN  75   5.353  -8.336   4.881
  496   HE22  GLN  75          2HE2      GLN  75   6.001  -8.446   6.474
  497    H    LEU  76           H        LEU  76   3.828  -8.478   0.766
  498    HA   LEU  76           HA       LEU  76   4.148 -10.822  -0.981
  499    HB2  LEU  76           2HB      LEU  76   1.829  -9.191  -0.150
  500    HB3  LEU  76           1HB      LEU  76   1.836  -9.692  -1.829
  501    HG   LEU  76           HG       LEU  76   0.640 -11.394  -0.832
  502   HD11  LEU  76          1HD1      LEU  76   3.523 -12.245  -0.797
  503   HD12  LEU  76          2HD1      LEU  76   2.172 -13.361  -0.599
  504   HD13  LEU  76          3HD1      LEU  76   2.348 -12.448  -2.100
  505   HD21  LEU  76          3HD2      LEU  76   1.156 -12.393   1.333
  506   HD22  LEU  76          1HD2      LEU  76   2.558 -11.337   1.497
  507   HD23  LEU  76          2HD2      LEU  76   0.934 -10.651   1.477
  508    H    GLY  77           H        GLY  77   3.724  -7.293  -1.061
  509    HA2  GLY  77           1HA      GLY  77   4.688  -5.780  -2.531
  510    HA3  GLY  77           2HA      GLY  77   5.518  -7.122  -3.309
  511    H    LEU  78           H        LEU  78   2.083  -6.334  -2.856
  512    HA   LEU  78           HA       LEU  78   1.269  -7.288  -5.372
  513    HB2  LEU  78           2HB      LEU  78  -0.501  -5.239  -4.436
  514    HB3  LEU  78           1HB      LEU  78  -0.754  -6.973  -4.492
  515    HG   LEU  78           HG       LEU  78   0.700  -6.917  -2.279
  516   HD11  LEU  78          1HD1      LEU  78   0.990  -4.944  -1.283
  517   HD12  LEU  78          2HD1      LEU  78   0.547  -4.212  -2.826
  518   HD13  LEU  78          3HD1      LEU  78  -0.681  -4.463  -1.584
  519   HD21  LEU  78          3HD2      LEU  78  -1.243  -7.321  -1.165
  520   HD22  LEU  78          1HD2      LEU  78  -2.064  -5.929  -1.871
  521   HD23  LEU  78          2HD2      LEU  78  -1.865  -7.407  -2.813
  522    H    LEU  79           H        LEU  79   2.054  -6.470  -7.221
  523    HA   LEU  79           HA       LEU  79   2.930  -3.785  -7.524
  524    HB2  LEU  79           2HB      LEU  79   3.042  -4.461  -9.989
  525    HB3  LEU  79           1HB      LEU  79   4.063  -5.319  -8.852
  526    HG   LEU  79           HG       LEU  79   1.813  -6.894  -8.908
  527   HD11  LEU  79          1HD1      LEU  79   1.222  -7.215 -11.242
  528   HD12  LEU  79          2HD1      LEU  79   0.896  -5.552 -10.760
  529   HD13  LEU  79          3HD1      LEU  79   2.326  -5.923 -11.720
  530   HD21  LEU  79          3HD2      LEU  79   3.197  -8.485  -9.915
  531   HD22  LEU  79          1HD2      LEU  79   4.086  -7.269 -10.832
  532   HD23  LEU  79          2HD2      LEU  79   4.323  -7.408  -9.089
  533    H    ALA  80           H        ALA  80  -0.155  -5.046  -7.539
  534    HA   ALA  80           HA       ALA  80  -1.229  -3.206  -9.507
  535    HB1  ALA  80           1HB      ALA  80  -3.132  -4.498  -7.707
  536    HB2  ALA  80           2HB      ALA  80  -3.076  -4.470  -9.470
  537    HB3  ALA  80           3HB      ALA  80  -2.088  -5.622  -8.573
  538    H    LEU  81           H        LEU  81  -0.313  -3.120  -6.275
  539    HA   LEU  81           HA       LEU  81  -2.242  -0.992  -5.642
  540    HB2  LEU  81           2HB      LEU  81  -2.057  -3.118  -4.203
  541    HB3  LEU  81           1HB      LEU  81  -0.542  -2.444  -3.634
  542    HG   LEU  81           HG       LEU  81  -2.450  -0.394  -3.356
  543   HD11  LEU  81          1HD1      LEU  81  -3.755  -2.106  -1.617
  544   HD12  LEU  81          2HD1      LEU  81  -4.405  -1.431  -3.113
  545   HD13  LEU  81          3HD1      LEU  81  -3.644  -3.022  -3.120
  546   HD21  LEU  81          3HD2      LEU  81  -1.930  -1.813  -0.909
  547   HD22  LEU  81          1HD2      LEU  81  -0.461  -1.689  -1.880
  548   HD23  LEU  81          2HD2      LEU  81  -1.349  -0.233  -1.437
  549    H    VAL  82           H        VAL  82   1.165  -1.823  -5.758
  550    HA   VAL  82           HA       VAL  82   1.802   0.949  -5.006
  551    HB   VAL  82           HB       VAL  82   4.093  -0.852  -5.244
  552   HG11  VAL  82          1HG1      VAL  82   4.407   1.280  -4.290
  553   HG12  VAL  82          2HG1      VAL  82   3.053   1.066  -3.179
  554   HG13  VAL  82          3HG1      VAL  82   4.529   0.127  -2.959
  555   HG21  VAL  82          3HG2      VAL  82   2.579  -2.528  -4.408
  556   HG22  VAL  82          1HG2      VAL  82   3.669  -2.033  -3.113
  557   HG23  VAL  82          2HG2      VAL  82   2.008  -1.437  -3.146
  558    H    ASP  83           H        ASP  83   2.803   2.254  -6.390
  559    HA   ASP  83           HA       ASP  83   3.425   1.201  -9.050
  560    HB2  ASP  83           2HB      ASP  83   1.937   3.255  -8.719
  561    HB3  ASP  83           1HB      ASP  83   3.396   4.113  -8.237
  562    H    HIS  84           H        HIS  84   5.424   2.614 -10.029
  563    HA   HIS  84           HA       HIS  84   7.571   2.578  -8.052
  564    HB2  HIS  84           2HB      HIS  84   7.095   0.408  -9.779
  565    HB3  HIS  84           1HB      HIS  84   8.498   1.256 -10.431
  566    HD1  HIS  84           1HD      HIS  84   7.302  -0.276  -7.182
  567    HD2  HIS  84           2HD      HIS  84  10.828   0.773  -9.110
  568    HE1  HIS  84           1HE      HIS  84   9.151  -1.084  -5.686
  569    HE2  HIS  84           2HE      HIS  84  11.291  -0.368  -6.831
  570    H    THR  85           H        THR  85   8.423   4.506  -8.241
  571    HA   THR  85           HA       THR  85   9.016   5.537 -10.938
  572    HB   THR  85           HB       THR  85   9.142   7.794  -9.579
  573    HG1  THR  85           1HG      THR  85   7.066   6.622  -8.099
  574   HG21  THR  85          3HG2      THR  85   7.513   8.079 -11.087
  575   HG22  THR  85          1HG2      THR  85   6.393   7.607  -9.810
  576   HG23  THR  85          2HG2      THR  85   6.985   6.404 -10.954
  577    H    GLU  86           H        GLU  86  10.759   7.538 -10.240
  578    HA   GLU  86           HA       GLU  86  13.187   6.148  -9.782
  579    HB2  GLU  86           2HB      GLU  86  13.519   8.944  -9.269
  580    HB3  GLU  86           1HB      GLU  86  14.041   8.013 -10.666
  581    HG2  GLU  86           2HG      GLU  86  12.739   9.641 -11.632
  582    HG3  GLU  86           1HG      GLU  86  11.592   8.315 -11.464
  583    H    GLU  87           H        GLU  87  10.990   7.983  -7.775
  584    HA   GLU  87           HA       GLU  87  12.740   8.002  -5.495
  585    HB2  GLU  87           2HB      GLU  87   9.952   8.916  -6.040
  586    HB3  GLU  87           1HB      GLU  87  10.465   8.709  -4.371
  587    HG2  GLU  87           2HG      GLU  87  12.347  10.252  -4.792
  588    HG3  GLU  87           1HG      GLU  87  11.747  10.495  -6.432
  589    H    GLY  88           H        GLY  88  11.195   5.530  -6.905
  590    HA2  GLY  88           1HA      GLY  88  11.516   3.370  -5.908
  591    HA3  GLY  88           2HA      GLY  88  11.180   4.093  -4.342
  592    HA   PRO  89           HA       PRO  89   7.241   2.045  -5.584
  593    HB2  PRO  89           2HB      PRO  89   6.694   0.998  -3.163
  594    HB3  PRO  89           1HB      PRO  89   7.805   0.204  -4.287
  595    HG2  PRO  89           2HG      PRO  89   8.429   1.952  -1.933
  596    HG3  PRO  89           1HG      PRO  89   9.183   0.421  -2.415
  597    HD2  PRO  89           2HD      PRO  89  10.288   2.845  -2.957
  598    HD3  PRO  89           1HD      PRO  89  10.511   1.429  -4.003
  599    H    VAL  90           H        VAL  90   5.456   3.249  -5.586
  600    HA   VAL  90           HA       VAL  90   5.021   5.131  -3.365
  601    HB   VAL  90           HB       VAL  90   4.162   6.649  -5.397
  602   HG11  VAL  90          1HG1      VAL  90   6.348   6.630  -3.639
  603   HG12  VAL  90          2HG1      VAL  90   7.000   7.043  -5.226
  604   HG13  VAL  90          3HG1      VAL  90   5.694   8.005  -4.530
  605   HG21  VAL  90          3HG2      VAL  90   6.224   6.391  -7.064
  606   HG22  VAL  90          1HG2      VAL  90   6.083   4.703  -6.568
  607   HG23  VAL  90          2HG2      VAL  90   4.707   5.527  -7.309
  608    H    CYS  91           H        CYS  91   2.799   6.254  -3.725
  609    HA   CYS  91           HA       CYS  91   0.810   4.238  -3.728
  610    HB2  CYS  91           2HB      CYS  91   0.989   6.965  -2.963
  611    HB3  CYS  91           1HB      CYS  91  -0.349   6.835  -4.095
  612    H    LYS  92           H        LYS  92  -0.006   3.286  -5.448
  613    HA   LYS  92           HA       LYS  92   0.363   4.331  -8.087
  614    HB2  LYS  92           2HB      LYS  92   0.413   1.905  -7.530
  615    HB3  LYS  92           1HB      LYS  92  -1.303   1.983  -7.168
  616    HG2  LYS  92           2HG      LYS  92  -1.886   1.892  -9.315
  617    HG3  LYS  92           1HG      LYS  92  -0.608   3.004  -9.812
  618    HD2  LYS  92           2HD      LYS  92   1.015   1.129  -9.560
  619    HD3  LYS  92           1HD      LYS  92  -0.349   0.051  -9.264
  620    HE2  LYS  92           2HE      LYS  92  -0.449  -0.245 -11.471
  621    HE3  LYS  92           1HE      LYS  92  -1.042   1.412 -11.579
  622    HZ1  LYS  92           3HZ      LYS  92   1.605   0.342 -12.179
  623    HZ2  LYS  92           1HZ      LYS  92   1.551   1.888 -11.476
  624    HZ3  LYS  92           2HZ      LYS  92   0.742   1.586 -12.939
  625    H    ASN  93           H        ASN  93  -2.102   4.454  -5.693
  626    HA   ASN  93           HA       ASN  93  -3.880   5.811  -7.590
  627    HB2  ASN  93           2HB      ASN  93  -4.410   3.354  -6.096
  628    HB3  ASN  93           1HB      ASN  93  -5.638   4.587  -5.844
  629   HD21  ASN  93          1HD2      ASN  93  -3.802   4.282  -8.808
  630   HD22  ASN  93          2HD2      ASN  93  -5.115   3.722  -9.784
  631    H    ILE  94           H        ILE  94  -5.079   5.143  -4.422
  632    HA   ILE  94           HA       ILE  94  -4.676   7.991  -3.778
  633    HB   ILE  94           HB       ILE  94  -6.828   8.178  -2.956
  634   HG12  ILE  94          2HG1      ILE  94  -6.709   5.200  -2.534
  635   HG13  ILE  94          1HG1      ILE  94  -6.978   6.469  -1.345
  636   HG21  ILE  94          1HG2      ILE  94  -6.568   6.734  -5.429
  637   HG22  ILE  94          2HG2      ILE  94  -8.090   6.327  -4.636
  638   HG23  ILE  94          3HG2      ILE  94  -7.703   8.013  -4.992
  639   HD11  ILE  94          3HD1      ILE  94  -8.881   5.109  -3.142
  640   HD12  ILE  94          1HD1      ILE  94  -9.099   5.721  -1.501
  641   HD13  ILE  94          2HD1      ILE  94  -9.151   6.831  -2.871
  642    H    VAL  95           H        VAL  95  -4.311   8.582  -1.619
  643    HA   VAL  95           HA       VAL  95  -2.836   6.608  -0.108
  644    HB   VAL  95           HB       VAL  95  -3.426   9.304   1.041
  645   HG11  VAL  95          1HG1      VAL  95  -2.028   7.732   2.264
  646   HG12  VAL  95          2HG1      VAL  95  -0.932   7.615   0.888
  647   HG13  VAL  95          3HG1      VAL  95  -1.093   9.141   1.761
  648   HG21  VAL  95          3HG2      VAL  95  -2.841   9.329  -1.550
  649   HG22  VAL  95          1HG2      VAL  95  -2.188  10.529  -0.434
  650   HG23  VAL  95          2HG2      VAL  95  -1.204   9.150  -0.922
  651    H    ALA  96           H        ALA  96  -3.337   5.840   1.977
  652    HA   ALA  96           HA       ALA  96  -5.872   6.573   3.180
  653    HB1  ALA  96           1HB      ALA  96  -5.995   3.761   3.037
  654    HB2  ALA  96           2HB      ALA  96  -7.086   4.941   2.309
  655    HB3  ALA  96           3HB      ALA  96  -5.691   4.355   1.404
  656    H    CYS  97           H        CYS  97  -6.291   5.203   5.164
  657    HA   CYS  97           HA       CYS  97  -3.767   4.325   6.392
  658    HB2  CYS  97           2HB      CYS  97  -5.909   5.466   8.126
  659    HB3  CYS  97           1HB      CYS  97  -4.164   5.471   8.348
  660    H    CYS  98           H        CYS  98  -3.871   2.200   6.610
  661    HA   CYS  98           HA       CYS  98  -6.438   0.991   7.396
  662    HB2  CYS  98           2HB      CYS  98  -4.639  -0.578   5.644
  663    HB3  CYS  98           1HB      CYS  98  -6.400  -0.508   5.677
  664    HA   PRO  99           HA       PRO  99  -3.862  -1.071  10.380
  665    HB2  PRO  99           2HB      PRO  99  -5.734  -2.515  11.590
  666    HB3  PRO  99           1HB      PRO  99  -5.807  -0.748  11.620
  667    HG2  PRO  99           2HG      PRO  99  -7.340  -2.669   9.915
  668    HG3  PRO  99           1HG      PRO  99  -7.908  -1.209  10.744
  669    HD2  PRO  99           2HD      PRO  99  -7.188  -1.353   8.065
  670    HD3  PRO  99           1HD      PRO  99  -7.276   0.139   9.023
  671    H    GLU 100           H        GLU 100  -2.853  -3.068  10.779
  672    HA   GLU 100           HA       GLU 100  -3.377  -5.210   8.867
  673    HB2  GLU 100           2HB      GLU 100  -1.017  -4.200   9.577
  674    HB3  GLU 100           1HB      GLU 100  -1.174  -5.385  10.868
  675    HG2  GLU 100           2HG      GLU 100   0.079  -6.171   8.863
  676    HG3  GLU 100           1HG      GLU 100  -1.292  -7.183   9.320
  677    H    GLY 101           H        GLY 101  -4.723  -6.770   9.459
  678    HA2  GLY 101           1HA      GLY 101  -4.545  -8.631  11.294
  679    HA3  GLY 101           2HA      GLY 101  -5.128  -7.314  12.301
  680    H    THR 102           H        THR 102  -7.099  -6.170  11.361
  681    HA   THR 102           HA       THR 102  -8.885  -7.789   9.781
  682    HB   THR 102           HB       THR 102 -10.302  -7.152  12.230
  683    HG1  THR 102           1HG      THR 102  -7.924  -8.667  12.398
  684   HG21  THR 102          3HG2      THR 102 -11.372  -8.666  10.872
  685   HG22  THR 102          1HG2      THR 102 -10.593  -9.757  12.018
  686   HG23  THR 102          2HG2      THR 102  -9.874  -9.487  10.429
  687    H    THR 103           H        THR 103 -11.168  -6.678   9.889
  688    HA   THR 103           HA       THR 103 -12.486  -4.872   9.561
  689    HB   THR 103           HB       THR 103 -10.507  -3.042  10.891
  690    HG1  THR 103           1HG      THR 103 -12.288  -4.805  12.275
  691   HG21  THR 103          3HG2      THR 103 -13.380  -3.081  11.575
  692   HG22  THR 103          1HG2      THR 103 -12.982  -2.576   9.934
  693   HG23  THR 103          2HG2      THR 103 -12.300  -1.713  11.314
  694    H    ASN 104           H        ASN 104 -12.486  -2.610   8.562
  695    HA   ASN 104           HA       ASN 104 -11.040  -3.009   6.079
  696    HB2  ASN 104           2HB      ASN 104 -12.639  -1.141   5.313
  697    HB3  ASN 104           1HB      ASN 104 -13.316  -2.723   5.670
  698   HD21  ASN 104          1HD2      ASN 104 -15.010  -2.788   6.968
  699   HD22  ASN 104          2HD2      ASN 104 -15.522  -1.517   8.024
  700    H    CYS 105           H        CYS 105 -10.778  -0.710   4.904
  701    HA   CYS 105           HA       CYS 105  -8.907   0.765   6.634
  702    HB2  CYS 105           2HB      CYS 105  -7.688  -0.357   4.942
  703    HB3  CYS 105           1HB      CYS 105  -8.872   0.051   3.706
  704    H    VAL 106           H        VAL 106  -8.815   3.048   6.440
  705    HA   VAL 106           HA       VAL 106 -11.212   4.224   5.229
  706    HB   VAL 106           HB       VAL 106 -11.160   5.956   6.799
  707   HG11  VAL 106          1HG1      VAL 106 -10.986   4.885   8.983
  708   HG12  VAL 106          2HG1      VAL 106 -11.769   3.818   7.816
  709   HG13  VAL 106          3HG1      VAL 106 -10.084   3.553   8.262
  710   HG21  VAL 106          3HG2      VAL 106  -8.359   5.762   6.577
  711   HG22  VAL 106          1HG2      VAL 106  -9.293   6.980   7.446
  712   HG23  VAL 106          2HG2      VAL 106  -8.744   5.526   8.282
  713    H    ALA 107           H        ALA 107 -11.057   5.825   3.729
  714    HA   ALA 107           HA       ALA 107  -8.343   6.544   2.837
  715    HB1  ALA 107           1HB      ALA 107 -10.392   5.183   1.413
  716    HB2  ALA 107           2HB      ALA 107 -10.157   6.763   0.666
  717    HB3  ALA 107           3HB      ALA 107  -8.791   5.660   0.849
  718    H    VAL 108           H        VAL 108  -7.955   8.642   3.093
  719    HA   VAL 108           HA       VAL 108 -10.211  10.518   2.800
  720    HB   VAL 108           HB       VAL 108  -8.297  11.854   4.325
  721   HG11  VAL 108          1HG1      VAL 108 -10.371  10.728   5.968
  722   HG12  VAL 108          2HG1      VAL 108 -10.151  12.388   5.418
  723   HG13  VAL 108          3HG1      VAL 108 -11.016  11.234   4.406
  724   HG21  VAL 108          3HG2      VAL 108  -8.786   9.559   6.048
  725   HG22  VAL 108          1HG2      VAL 108  -7.735   9.187   4.681
  726   HG23  VAL 108          2HG2      VAL 108  -7.309  10.490   5.790
  727    H    ASP 109           H        ASP 109  -8.189   9.524   0.860
  728    HA   ASP 109           HA       ASP 109  -6.318  11.518   0.226
  729    HB2  ASP 109           2HB      ASP 109  -6.182   9.349  -0.825
  730    HB3  ASP 109           1HB      ASP 109  -7.787   9.534  -1.522
  731    H    ASN 110           H        ASN 110  -9.526  10.917  -1.155
  732    HA   ASN 110           HA       ASN 110 -11.256  12.278  -1.659
  733    HB2  ASN 110           2HB      ASN 110  -9.724  13.822   0.213
  734    HB3  ASN 110           1HB      ASN 110 -10.445  14.885  -0.991
  735   HD21  ASN 110          1HD2      ASN 110 -11.532  11.878   0.541
  736   HD22  ASN 110          2HD2      ASN 110 -13.021  12.516   1.146
  737    H    ALA 111           H        ALA 111  -8.536  12.186  -3.285
  738    HA   ALA 111           HA       ALA 111  -9.480  14.192  -5.233
  739    HB1  ALA 111           1HB      ALA 111  -7.134  14.431  -4.028
  740    HB2  ALA 111           2HB      ALA 111  -6.645  13.320  -5.308
  741    HB3  ALA 111           3HB      ALA 111  -7.365  14.877  -5.717
  742    H    GLY 112           H        GLY 112  -7.930  11.061  -4.772
  743    HA2  GLY 112           1HA      GLY 112  -8.735   9.163  -6.067
  744    HA3  GLY 112           2HA      GLY 112  -8.958  10.258  -7.428
  745    H    ALA 113           H        ALA 113  -6.203  11.100  -5.824
  746    HA   ALA 113           HA       ALA 113  -4.352   9.228  -6.932
  747    HB1  ALA 113           1HB      ALA 113  -5.214  10.850  -8.851
  748    HB2  ALA 113           2HB      ALA 113  -4.001  11.920  -8.142
  749    HB3  ALA 113           3HB      ALA 113  -3.528  10.336  -8.756
  750    H    GLY 114           H        GLY 114  -2.862   9.167  -5.407
  751    HA2  GLY 114           1HA      GLY 114  -2.562  11.053  -3.364
  752    HA3  GLY 114           2HA      GLY 114  -1.394   9.803  -3.758
  753    H    THR 115           H        THR 115  -0.542  10.537  -6.219
  754    HA   THR 115           HA       THR 115   0.955  11.811  -7.315
  755    HB   THR 115           HB       THR 115   0.266  14.384  -6.047
  756    HG1  THR 115           1HG      THR 115  -1.765  13.159  -6.059
  757   HG21  THR 115          3HG2      THR 115   1.425  14.716  -7.993
  758   HG22  THR 115          1HG2      THR 115  -0.216  14.727  -8.641
  759   HG23  THR 115          2HG2      THR 115   0.767  13.269  -8.756
  760    H    LYS 116           H        LYS 116   2.872  11.153  -6.508
  761    HA   LYS 116           HA       LYS 116   3.826  11.901  -3.923
  762    HB2  LYS 116           2HB      LYS 116   5.960  10.872  -4.681
  763    HB3  LYS 116           1HB      LYS 116   4.567   9.820  -4.872
  764    HG2  LYS 116           2HG      LYS 116   4.801   9.718  -7.102
  765    HG3  LYS 116           1HG      LYS 116   5.196  11.433  -7.236
  766    HD2  LYS 116           2HD      LYS 116   7.431  10.583  -6.041
  767    HD3  LYS 116           1HD      LYS 116   6.981   9.090  -6.869
  768    HE2  LYS 116           2HE      LYS 116   7.340   9.973  -8.939
  769    HE3  LYS 116           1HE      LYS 116   6.852  11.592  -8.450
  770    HZ1  LYS 116           3HZ      LYS 116   9.105  11.330  -7.058
  771    HZ2  LYS 116           1HZ      LYS 116   9.048  11.968  -8.630
  772    HZ3  LYS 116           2HZ      LYS 116   9.482  10.346  -8.396
  773    H    ALA 117           H        ALA 117   3.960  13.300  -7.070
  774    HA   ALA 117           HA       ALA 117   6.158  15.060  -6.596
  775    HB1  ALA 117           1HB      ALA 117   4.342  14.487  -8.744
  776    HB2  ALA 117           2HB      ALA 117   4.469  16.228  -8.506
  777    HB3  ALA 117           3HB      ALA 117   5.921  15.271  -8.798
  778    H    GLU 118           H        GLU 118   6.188  16.736  -5.289
  779    HA   GLU 118           HA       GLU 118   3.974  18.531  -5.021
  780    HB2  GLU 118           2HB      GLU 118   3.213  16.828  -3.470
  781    HB3  GLU 118           1HB      GLU 118   4.789  16.772  -2.699
  782    HG2  GLU 118           2HG      GLU 118   3.693  19.440  -2.639
  783    HG3  GLU 118           1HG      GLU 118   2.586  18.273  -1.922
  Start of MODEL    3
    1    H1   SER   1           1H       SER   1   7.750  -8.011   8.808
    2    H2   SER   1           2H       SER   1   8.769  -8.755   7.692
    3    H3   SER   1           3H       SER   1   8.327  -7.128   7.483
    4    HA   SER   1           HA       SER   1   9.687  -6.371   9.118
    5    HB2  SER   1           2HB      SER   1  10.589  -8.712  10.490
    6    HB3  SER   1           1HB      SER   1   9.651  -7.362  11.129
    7    HG   SER   1           HG       SER   1   7.990  -8.640  11.195
    8    H    LEU   2           H        LEU   2  10.310  -9.553   7.680
    9    HA   LEU   2           HA       LEU   2  12.994  -8.574   6.944
   10    HB2  LEU   2           2HB      LEU   2  12.173 -11.035   8.269
   11    HB3  LEU   2           1HB      LEU   2  13.103 -11.348   6.816
   12    HG   LEU   2           HG       LEU   2  14.547  -9.362   8.121
   13   HD11  LEU   2          1HD1      LEU   2  12.890 -10.412  10.047
   14   HD12  LEU   2          2HD1      LEU   2  14.375 -11.343  10.242
   15   HD13  LEU   2          3HD1      LEU   2  14.420  -9.580  10.333
   16   HD21  LEU   2          3HD2      LEU   2  15.677 -11.060   6.980
   17   HD22  LEU   2          1HD2      LEU   2  16.062 -11.355   8.677
   18   HD23  LEU   2          2HD2      LEU   2  14.840 -12.337   7.866
   19    HA   PRO   3           HA       PRO   3  11.593  -9.186   2.800
   20    HB2  PRO   3           2HB      PRO   3  13.970  -9.222   1.509
   21    HB3  PRO   3           1HB      PRO   3  13.277  -7.748   2.193
   22    HG2  PRO   3           2HG      PRO   3  15.397  -9.537   3.312
   23    HG3  PRO   3           1HG      PRO   3  15.330  -7.766   3.284
   24    HD2  PRO   3           2HD      PRO   3  14.688  -9.232   5.481
   25    HD3  PRO   3           1HD      PRO   3  13.952  -7.659   5.121
   26    H    ALA   4           H        ALA   4  11.002 -11.449   3.710
   27    HA   ALA   4           HA       ALA   4  12.598 -13.677   2.963
   28    HB1  ALA   4           1HB      ALA   4   9.665 -14.004   3.032
   29    HB2  ALA   4           2HB      ALA   4  10.930 -14.944   3.821
   30    HB3  ALA   4           3HB      ALA   4  10.421 -13.403   4.506
   31    H    SER   5           H        SER   5  10.163 -11.753   1.349
   32    HA   SER   5           HA       SER   5  10.030 -13.383  -0.997
   33    HB2  SER   5           2HB      SER   5   9.246 -10.651  -1.459
   34    HB3  SER   5           1HB      SER   5   8.232 -12.092  -1.374
   35    HG   SER   5           HG       SER   5   7.815 -10.385   0.231
   36    H    ALA   6           H        ALA   6  10.899 -12.857  -3.061
   37    HA   ALA   6           HA       ALA   6  13.523 -11.664  -2.914
   38    HB1  ALA   6           1HB      ALA   6  13.725 -12.415  -5.264
   39    HB2  ALA   6           2HB      ALA   6  13.264 -13.711  -4.160
   40    HB3  ALA   6           3HB      ALA   6  12.050 -12.969  -5.202
   41    H    ALA   7           H        ALA   7  11.966  -9.636  -2.333
   42    HA   ALA   7           HA       ALA   7  11.552  -8.134  -4.835
   43    HB1  ALA   7           1HB      ALA   7  10.291  -7.485  -2.182
   44    HB2  ALA   7           2HB      ALA   7   9.848  -6.885  -3.781
   45    HB3  ALA   7           3HB      ALA   7   9.548  -8.570  -3.358
   46    H    LYS   8           H        LYS   8  13.833  -7.638  -4.826
   47    HA   LYS   8           HA       LYS   8  14.747  -5.821  -2.734
   48    HB2  LYS   8           2HB      LYS   8  16.032  -7.654  -4.460
   49    HB3  LYS   8           1HB      LYS   8  16.586  -6.056  -4.938
   50    HG2  LYS   8           2HG      LYS   8  16.640  -6.247  -2.087
   51    HG3  LYS   8           1HG      LYS   8  17.477  -7.636  -2.786
   52    HD2  LYS   8           2HD      LYS   8  18.281  -5.406  -4.288
   53    HD3  LYS   8           1HD      LYS   8  18.334  -4.901  -2.594
   54    HE2  LYS   8           2HE      LYS   8  19.510  -7.248  -2.306
   55    HE3  LYS   8           1HE      LYS   8  19.882  -7.013  -4.014
   56    HZ1  LYS   8           3HZ      LYS   8  21.608  -6.183  -2.464
   57    HZ2  LYS   8           1HZ      LYS   8  20.504  -5.026  -1.898
   58    HZ3  LYS   8           2HZ      LYS   8  21.007  -4.994  -3.517
   59    H    ASN   9           H        ASN   9  12.932  -5.617  -5.399
   60    HA   ASN   9           HA       ASN   9  14.064  -3.130  -6.427
   61    HB2  ASN   9           2HB      ASN   9  12.412  -3.451  -8.284
   62    HB3  ASN   9           1HB      ASN   9  13.596  -4.742  -8.142
   63   HD21  ASN   9          1HD2      ASN   9  11.128  -4.914  -9.487
   64   HD22  ASN   9          2HD2      ASN   9  10.163  -6.107  -8.680
   65    H    ALA  10           H        ALA  10  11.196  -4.420  -4.846
   66    HA   ALA  10           HA       ALA  10  10.084  -1.692  -4.772
   67    HB1  ALA  10           1HB      ALA  10   8.773  -4.343  -5.144
   68    HB2  ALA  10           2HB      ALA  10   7.881  -3.044  -4.354
   69    HB3  ALA  10           3HB      ALA  10   8.497  -2.821  -5.992
   70    H    LYS  11           H        LYS  11  10.512  -0.858  -2.821
   71    HA   LYS  11           HA       LYS  11   9.661  -2.388  -0.471
   72    HB2  LYS  11           2HB      LYS  11  12.125  -0.697  -0.279
   73    HB3  LYS  11           1HB      LYS  11  11.588  -1.984   0.781
   74    HG2  LYS  11           2HG      LYS  11  12.837  -3.464  -0.306
   75    HG3  LYS  11           1HG      LYS  11  12.112  -3.015  -1.854
   76    HD2  LYS  11           2HD      LYS  11  14.089  -1.142  -0.683
   77    HD3  LYS  11           1HD      LYS  11  14.704  -2.670  -1.321
   78    HE2  LYS  11           2HE      LYS  11  13.256  -2.083  -3.393
   79    HE3  LYS  11           1HE      LYS  11  13.297  -0.447  -2.743
   80    HZ1  LYS  11           3HZ      LYS  11  15.837  -0.888  -2.646
   81    HZ2  LYS  11           1HZ      LYS  11  15.111  -0.448  -4.112
   82    HZ3  LYS  11           2HZ      LYS  11  15.497  -2.071  -3.812
   83    H    LEU  12           H        LEU  12   9.123  -1.080   1.334
   84    HA   LEU  12           HA       LEU  12   8.251   1.595   0.634
   85    HB2  LEU  12           2HB      LEU  12   7.220  -0.381   2.243
   86    HB3  LEU  12           1HB      LEU  12   7.925   0.711   3.414
   87    HG   LEU  12           HG       LEU  12   5.531   1.147   3.014
   88   HD11  LEU  12          1HD1      LEU  12   6.191   3.140   3.735
   89   HD12  LEU  12          2HD1      LEU  12   7.688   3.064   2.794
   90   HD13  LEU  12          3HD1      LEU  12   6.198   3.641   2.042
   91   HD21  LEU  12          3HD2      LEU  12   6.181   2.271   0.332
   92   HD22  LEU  12          1HD2      LEU  12   5.837   0.547   0.487
   93   HD23  LEU  12          2HD2      LEU  12   4.633   1.735   0.984
   94    H    ALA  13           H        ALA  13  11.014   0.185   1.846
   95    HA   ALA  13           HA       ALA  13  11.688   2.221   3.777
   96    HB1  ALA  13           1HB      ALA  13  13.151  -0.176   2.710
   97    HB2  ALA  13           2HB      ALA  13  13.911   0.986   3.799
   98    HB3  ALA  13           3HB      ALA  13  12.490   0.083   4.326
   99    H    THR  14           H        THR  14  11.791   2.053   0.444
  100    HA   THR  14           HA       THR  14  13.983   4.018   0.340
  101    HB   THR  14           HB       THR  14  13.419   2.521  -2.134
  102    HG1  THR  14           1HG      THR  14  14.910   1.199  -0.118
  103   HG21  THR  14          3HG2      THR  14  15.419   3.387  -2.587
  104   HG22  THR  14          1HG2      THR  14  16.131   2.416  -1.298
  105   HG23  THR  14          2HG2      THR  14  15.520   4.035  -0.949
  106    H    SER  15           H        SER  15  10.805   3.843   0.230
  107    HA   SER  15           HA       SER  15   9.999   5.021  -2.175
  108    HB2  SER  15           2HB      SER  15   8.657   5.462   0.490
  109    HB3  SER  15           1HB      SER  15   7.919   5.378  -1.111
  110    HG   SER  15           HG       SER  15   7.857   3.292  -0.963
  111    H    ALA  16           H        ALA  16  10.745   6.517   0.974
  112    HA   ALA  16           HA       ALA  16  11.312   8.616   1.596
  113    HB1  ALA  16           1HB      ALA  16  12.149   9.244  -1.208
  114    HB2  ALA  16           2HB      ALA  16  12.858   9.775   0.314
  115    HB3  ALA  16           3HB      ALA  16  13.068   8.110  -0.219
  116    H    ALA  17           H        ALA  17  10.303   9.285  -1.750
  117    HA   ALA  17           HA       ALA  17   8.948  11.666  -1.111
  118    HB1  ALA  17           1HB      ALA  17   8.009  10.335  -3.530
  119    HB2  ALA  17           2HB      ALA  17   8.796  11.900  -3.326
  120    HB3  ALA  17           3HB      ALA  17   9.766  10.429  -3.415
  121    H    PHE  18           H        PHE  18   7.872   8.326  -1.212
  122    HA   PHE  18           HA       PHE  18   5.090   8.786  -1.178
  123    HB2  PHE  18           2HB      PHE  18   5.996   6.559  -1.578
  124    HB3  PHE  18           1HB      PHE  18   6.691   6.521   0.038
  125    HD1  PHE  18           1HD      PHE  18   3.396   6.944  -1.658
  126    HD2  PHE  18           2HD      PHE  18   5.527   5.429   1.704
  127    HE1  PHE  18           1HE      PHE  18   1.328   5.918  -0.813
  128    HE2  PHE  18           2HE      PHE  18   3.458   4.400   2.556
  129    HZ   PHE  18           HZ       PHE  18   1.357   4.646   1.293
  130    H    ALA  19           H        ALA  19   7.503   8.688   1.384
  131    HA   ALA  19           HA       ALA  19   5.645   8.957   3.525
  132    HB1  ALA  19           1HB      ALA  19   7.482   8.287   4.573
  133    HB2  ALA  19           2HB      ALA  19   8.507   8.752   3.215
  134    HB3  ALA  19           3HB      ALA  19   8.070   9.945   4.439
  135    H    LYS  20           H        LYS  20   7.071  11.165   1.288
  136    HA   LYS  20           HA       LYS  20   6.684  13.523   2.883
  137    HB2  LYS  20           2HB      LYS  20   7.044  13.275  -0.114
  138    HB3  LYS  20           1HB      LYS  20   7.198  14.752   0.830
  139    HG2  LYS  20           2HG      LYS  20   9.071  13.615   2.080
  140    HG3  LYS  20           1HG      LYS  20   9.007  12.351   0.848
  141    HD2  LYS  20           2HD      LYS  20  10.615  13.722  -0.045
  142    HD3  LYS  20           1HD      LYS  20   9.170  14.402  -0.792
  143    HE2  LYS  20           2HE      LYS  20  10.780  16.075   0.182
  144    HE3  LYS  20           1HE      LYS  20   9.113  16.208   0.735
  145    HZ1  LYS  20           3HZ      LYS  20  11.096  16.290   2.410
  146    HZ2  LYS  20           1HZ      LYS  20  10.993  14.600   2.319
  147    HZ3  LYS  20           2HZ      LYS  20   9.651  15.503   2.826
  148    H    GLN  21           H        GLN  21   4.835  11.534   0.811
  149    HA   GLN  21           HA       GLN  21   2.614  13.352   0.536
  150    HB2  GLN  21           2HB      GLN  21   3.451  11.052  -0.757
  151    HB3  GLN  21           1HB      GLN  21   2.081  10.493   0.191
  152    HG2  GLN  21           2HG      GLN  21   0.665  12.172  -0.837
  153    HG3  GLN  21           1HG      GLN  21   2.046  12.804  -1.729
  154   HE21  GLN  21          1HE2      GLN  21   3.237  10.410  -2.482
  155   HE22  GLN  21          2HE2      GLN  21   2.213   9.624  -3.630
  156    H    ALA  22           H        ALA  22   3.535  10.584   2.477
  157    HA   ALA  22           HA       ALA  22   1.021  10.323   3.787
  158    HB1  ALA  22           1HB      ALA  22   1.865   8.313   4.142
  159    HB2  ALA  22           2HB      ALA  22   3.453   8.849   3.598
  160    HB3  ALA  22           3HB      ALA  22   2.999   9.013   5.296
  161    H    GLU  23           H        GLU  23   3.756  12.348   4.347
  162    HA   GLU  23           HA       GLU  23   3.324  12.650   7.168
  163    HB2  GLU  23           2HB      GLU  23   4.951  14.452   7.054
  164    HB3  GLU  23           1HB      GLU  23   5.532  13.061   6.150
  165    HG2  GLU  23           2HG      GLU  23   5.583  14.185   4.226
  166    HG3  GLU  23           1HG      GLU  23   4.031  14.968   4.533
  167    H    GLY  24           H        GLY  24   1.662  13.743   4.469
  168    HA2  GLY  24           1HA      GLY  24   0.769  16.245   5.630
  169    HA3  GLY  24           2HA      GLY  24   0.201  15.530   4.128
  170    H    THR  25           H        THR  25  -0.162  12.951   5.738
  171    HA   THR  25           HA       THR  25  -2.668  13.711   7.089
  172    HB   THR  25           HB       THR  25  -2.432  11.056   5.737
  173    HG1  THR  25           1HG      THR  25  -1.853  12.826   4.220
  174   HG21  THR  25          3HG2      THR  25  -4.943  11.988   5.288
  175   HG22  THR  25          1HG2      THR  25  -4.550  12.807   6.799
  176   HG23  THR  25          2HG2      THR  25  -4.474  11.047   6.707
  177    H    THR  26           H        THR  26  -2.734  13.041   9.158
  178    HA   THR  26           HA       THR  26  -0.522  11.643  10.254
  179    HB   THR  26           HB       THR  26  -2.671  11.663  12.111
  180    HG1  THR  26           1HG      THR  26  -2.551  14.277  11.554
  181   HG21  THR  26          3HG2      THR  26  -0.051  12.990  11.703
  182   HG22  THR  26          1HG2      THR  26  -0.652  12.085  13.093
  183   HG23  THR  26          2HG2      THR  26  -1.155  13.759  12.843
  184    H    CYS  27           H        CYS  27  -0.367   9.597   9.457
  185    HA   CYS  27           HA       CYS  27  -2.199   7.702  10.708
  186    HB2  CYS  27           2HB      CYS  27  -1.689   7.973   7.800
  187    HB3  CYS  27           1HB      CYS  27  -1.608   6.330   8.429
  188    H    ASN  28           H        ASN  28  -1.185   5.610  11.068
  189    HA   ASN  28           HA       ASN  28   1.568   6.068  11.840
  190    HB2  ASN  28           2HB      ASN  28  -0.165   3.643  12.376
  191    HB3  ASN  28           1HB      ASN  28   1.355   4.046  13.166
  192   HD21  ASN  28          1HD2      ASN  28   1.183   4.972  15.081
  193   HD22  ASN  28          2HD2      ASN  28  -0.179   5.886  15.649
  194    H    VAL  29           H        VAL  29   3.270   4.534  11.384
  195    HA   VAL  29           HA       VAL  29   3.473   4.030   8.643
  196    HB   VAL  29           HB       VAL  29   5.454   2.495   9.447
  197   HG11  VAL  29          1HG1      VAL  29   6.776   4.652   9.874
  198   HG12  VAL  29          2HG1      VAL  29   5.952   4.481   8.325
  199   HG13  VAL  29          3HG1      VAL  29   5.247   5.481   9.595
  200   HG21  VAL  29          3HG2      VAL  29   6.217   2.787  11.624
  201   HG22  VAL  29          1HG2      VAL  29   5.216   4.217  11.887
  202   HG23  VAL  29          2HG2      VAL  29   4.473   2.617  11.837
  203    H    GLY  30           H        GLY  30   2.737   1.818  11.314
  204    HA2  GLY  30           1HA      GLY  30   2.641  -0.500   9.622
  205    HA3  GLY  30           2HA      GLY  30   2.112  -0.404  11.295
  206    H    SER  31           H        SER  31   0.543   2.076  10.041
  207    HA   SER  31           HA       SER  31  -1.759   0.440   9.226
  208    HB2  SER  31           2HB      SER  31  -2.316   3.116  10.326
  209    HB3  SER  31           1HB      SER  31  -3.109   1.569  10.658
  210    HG   SER  31           HG       SER  31  -1.081   1.087  11.869
  211    H    ILE  32           H        ILE  32   0.501   2.188   7.868
  212    HA   ILE  32           HA       ILE  32  -1.179   3.984   6.319
  213    HB   ILE  32           HB       ILE  32   1.427   4.172   7.181
  214   HG12  ILE  32          2HG1      ILE  32   0.762   5.805   4.822
  215   HG13  ILE  32          1HG1      ILE  32  -0.448   5.798   6.101
  216   HG21  ILE  32          1HG2      ILE  32   1.545   2.797   4.693
  217   HG22  ILE  32          2HG2      ILE  32   2.202   4.420   4.486
  218   HG23  ILE  32          3HG2      ILE  32   2.863   3.351   5.721
  219   HD11  ILE  32          3HD1      ILE  32   2.104   6.136   7.291
  220   HD12  ILE  32          1HD1      ILE  32   1.949   7.276   5.952
  221   HD13  ILE  32          2HD1      ILE  32   0.744   7.262   7.244
  222    H    ALA  33           H        ALA  33  -1.624   3.736   4.130
  223    HA   ALA  33           HA       ALA  33  -0.823   1.241   2.862
  224    HB1  ALA  33           1HB      ALA  33  -3.743   1.670   3.052
  225    HB2  ALA  33           2HB      ALA  33  -2.821   0.168   2.942
  226    HB3  ALA  33           3HB      ALA  33  -2.902   1.046   4.473
  227    H    CYS  34           H        CYS  34  -2.244   0.949   0.798
  228    HA   CYS  34           HA       CYS  34  -3.060   3.471  -0.401
  229    HB2  CYS  34           2HB      CYS  34  -0.595   2.830  -0.986
  230    HB3  CYS  34           1HB      CYS  34  -1.340   1.618  -2.024
  231    H    CYS  35           H        CYS  35  -4.729   3.228  -1.853
  232    HA   CYS  35           HA       CYS  35  -5.750   0.482  -2.195
  233    HB2  CYS  35           2HB      CYS  35  -7.266   3.098  -2.138
  234    HB3  CYS  35           1HB      CYS  35  -7.987   1.518  -2.416
  235    H    ASN  36           H        ASN  36  -6.845   0.015  -4.198
  236    HA   ASN  36           HA       ASN  36  -6.490   1.932  -6.363
  237    HB2  ASN  36           2HB      ASN  36  -4.499   0.800  -6.778
  238    HB3  ASN  36           1HB      ASN  36  -5.123  -0.733  -6.188
  239   HD21  ASN  36          1HD2      ASN  36  -5.396   1.579  -8.852
  240   HD22  ASN  36          2HD2      ASN  36  -5.776   0.402 -10.068
  241    H    SER  37           H        SER  37  -7.904   1.562  -8.130
  242    HA   SER  37           HA       SER  37 -10.467   0.887  -7.635
  243    HB2  SER  37           2HB      SER  37  -9.847   0.137 -10.347
  244    HB3  SER  37           1HB      SER  37 -10.708   1.557  -9.747
  245    HG   SER  37           HG       SER  37  -8.294   1.458 -10.817
  246    HA   PRO  38           HA       PRO  38 -10.969  -3.303  -6.724
  247    HB2  PRO  38           2HB      PRO  38 -13.350  -3.189  -8.510
  248    HB3  PRO  38           1HB      PRO  38 -13.223  -3.740  -6.833
  249    HG2  PRO  38           2HG      PRO  38 -14.283  -1.374  -7.396
  250    HG3  PRO  38           1HG      PRO  38 -13.218  -1.573  -5.991
  251    HD2  PRO  38           2HD      PRO  38 -12.649  -0.335  -8.652
  252    HD3  PRO  38           1HD      PRO  38 -12.072   0.140  -7.041
  253    H    ALA  39           H        ALA  39 -11.853  -2.751 -10.163
  254    HA   ALA  39           HA       ALA  39 -11.452  -5.465 -10.846
  255    HB1  ALA  39           1HB      ALA  39 -12.281  -3.056 -12.203
  256    HB2  ALA  39           2HB      ALA  39 -11.261  -4.067 -13.223
  257    HB3  ALA  39           3HB      ALA  39 -12.724  -4.737 -12.506
  258    H    GLU  40           H        GLU  40  -9.135  -3.105 -10.240
  259    HA   GLU  40           HA       GLU  40  -7.204  -4.377 -12.040
  260    HB2  GLU  40           2HB      GLU  40  -6.878  -1.892 -10.352
  261    HB3  GLU  40           1HB      GLU  40  -5.699  -2.519 -11.492
  262    HG2  GLU  40           2HG      GLU  40  -6.925  -1.879 -13.326
  263    HG3  GLU  40           1HG      GLU  40  -8.446  -1.853 -12.433
  264    H    THR  41           H        THR  41  -7.501  -3.399  -8.647
  265    HA   THR  41           HA       THR  41  -5.260  -4.891  -7.764
  266    HB   THR  41           HB       THR  41  -7.550  -3.494  -6.445
  267    HG1  THR  41           1HG      THR  41  -5.495  -2.498  -7.081
  268   HG21  THR  41          3HG2      THR  41  -5.763  -4.525  -4.447
  269   HG22  THR  41          1HG2      THR  41  -6.517  -5.853  -5.328
  270   HG23  THR  41          2HG2      THR  41  -7.522  -4.639  -4.537
  271    H    ASN  42           H        ASN  42  -8.646  -5.638  -8.203
  272    HA   ASN  42           HA       ASN  42  -8.289  -8.288  -6.981
  273    HB2  ASN  42           2HB      ASN  42 -10.551  -6.449  -7.349
  274    HB3  ASN  42           1HB      ASN  42 -10.931  -8.139  -7.673
  275   HD21  ASN  42          1HD2      ASN  42  -9.218  -6.160  -5.292
  276   HD22  ASN  42          2HD2      ASN  42  -9.768  -7.042  -3.912
  277    H    ASN  43           H        ASN  43  -7.511  -7.169  -9.751
  278    HA   ASN  43           HA       ASN  43  -9.026  -8.471 -11.726
  279    HB2  ASN  43           2HB      ASN  43  -7.248  -6.672 -12.056
  280    HB3  ASN  43           1HB      ASN  43  -6.056  -7.956 -11.884
  281   HD21  ASN  43          1HD2      ASN  43  -8.462  -6.528 -13.902
  282   HD22  ASN  43          2HD2      ASN  43  -8.122  -7.460 -15.322
  283    H    ASP  44           H        ASP  44  -6.223  -9.485  -9.844
  284    HA   ASP  44           HA       ASP  44  -6.280 -12.107 -11.128
  285    HB2  ASP  44           2HB      ASP  44  -4.083 -10.980 -10.813
  286    HB3  ASP  44           1HB      ASP  44  -4.338 -11.034  -9.068
  287    H    SER  45           H        SER  45  -6.815 -13.966 -10.085
  288    HA   SER  45           HA       SER  45  -8.557 -13.851  -7.888
  289    HB2  SER  45           2HB      SER  45  -7.375 -16.458  -8.205
  290    HB3  SER  45           1HB      SER  45  -9.013 -15.928  -8.587
  291    HG   SER  45           HG       SER  45  -8.155 -16.527 -10.505
  292    H    LEU  46           H        LEU  46  -5.121 -14.724  -8.129
  293    HA   LEU  46           HA       LEU  46  -4.862 -15.520  -5.409
  294    HB2  LEU  46           2HB      LEU  46  -3.168 -15.288  -7.733
  295    HB3  LEU  46           1HB      LEU  46  -2.350 -14.651  -6.319
  296    HG   LEU  46           HG       LEU  46  -3.557 -17.128  -5.598
  297   HD11  LEU  46          1HD1      LEU  46  -3.329 -17.318  -8.199
  298   HD12  LEU  46          2HD1      LEU  46  -1.627 -17.569  -7.824
  299   HD13  LEU  46          3HD1      LEU  46  -2.845 -18.656  -7.158
  300   HD21  LEU  46          3HD2      LEU  46  -1.366 -17.683  -4.912
  301   HD22  LEU  46          1HD2      LEU  46  -0.639 -16.573  -6.076
  302   HD23  LEU  46          2HD2      LEU  46  -1.514 -15.940  -4.681
  303    H    LEU  47           H        LEU  47  -4.500 -12.504  -7.146
  304    HA   LEU  47           HA       LEU  47  -3.299 -10.954  -5.153
  305    HB2  LEU  47           2HB      LEU  47  -4.565 -10.513  -7.679
  306    HB3  LEU  47           1HB      LEU  47  -5.186  -9.348  -6.530
  307    HG   LEU  47           HG       LEU  47  -3.193  -8.612  -7.896
  308   HD11  LEU  47          1HD1      LEU  47  -3.277  -8.527  -4.907
  309   HD12  LEU  47          2HD1      LEU  47  -1.997  -7.711  -5.804
  310   HD13  LEU  47          3HD1      LEU  47  -3.681  -7.267  -6.072
  311   HD21  LEU  47          3HD2      LEU  47  -2.109 -10.982  -7.325
  312   HD22  LEU  47          1HD2      LEU  47  -1.139  -9.547  -7.669
  313   HD23  LEU  47          2HD2      LEU  47  -1.426 -10.042  -5.997
  314    H    SER  48           H        SER  48  -6.668 -11.849  -5.661
  315    HA   SER  48           HA       SER  48  -7.790 -10.116  -3.737
  316    HB2  SER  48           2HB      SER  48  -8.864 -11.651  -5.621
  317    HB3  SER  48           1HB      SER  48  -9.042 -12.772  -4.270
  318    HG   SER  48           HG       SER  48 -10.243 -10.273  -4.701
  319    H    GLY  49           H        GLY  49  -6.074 -13.121  -3.448
  320    HA2  GLY  49           1HA      GLY  49  -6.841 -13.366  -0.619
  321    HA3  GLY  49           2HA      GLY  49  -5.952 -14.566  -1.548
  322    H    LEU  50           H        LEU  50  -4.569 -11.861  -2.486
  323    HA   LEU  50           HA       LEU  50  -2.284 -12.203  -0.762
  324    HB2  LEU  50           2HB      LEU  50  -1.953 -11.941  -3.146
  325    HB3  LEU  50           1HB      LEU  50  -2.812 -10.412  -3.140
  326    HG   LEU  50           HG       LEU  50  -0.507 -10.428  -1.344
  327   HD11  LEU  50          1HD1      LEU  50   0.991 -11.404  -2.666
  328   HD12  LEU  50          2HD1      LEU  50  -0.206 -11.631  -3.938
  329   HD13  LEU  50          3HD1      LEU  50   0.710 -10.128  -3.851
  330   HD21  LEU  50          3HD2      LEU  50  -1.567  -8.366  -1.865
  331   HD22  LEU  50          1HD2      LEU  50  -0.020  -8.355  -2.710
  332   HD23  LEU  50          2HD2      LEU  50  -1.509  -8.693  -3.598
  333    H    LEU  51           H        LEU  51  -4.860  -9.893  -1.252
  334    HA   LEU  51           HA       LEU  51  -3.716  -7.836   0.377
  335    HB2  LEU  51           2HB      LEU  51  -6.401  -8.329  -0.849
  336    HB3  LEU  51           1HB      LEU  51  -6.236  -7.098   0.385
  337    HG   LEU  51           HG       LEU  51  -5.847  -5.726  -1.346
  338   HD11  LEU  51          1HD1      LEU  51  -3.689  -5.632  -0.410
  339   HD12  LEU  51          2HD1      LEU  51  -3.220  -7.164  -1.151
  340   HD13  LEU  51          3HD1      LEU  51  -3.457  -5.732  -2.156
  341   HD21  LEU  51          3HD2      LEU  51  -4.828  -6.731  -3.542
  342   HD22  LEU  51          1HD2      LEU  51  -5.366  -8.253  -2.840
  343   HD23  LEU  51          2HD2      LEU  51  -6.528  -6.964  -3.145
  344    H    GLY  52           H        GLY  52  -5.252 -10.771   1.030
  345    HA2  GLY  52           1HA      GLY  52  -6.048  -9.861   3.719
  346    HA3  GLY  52           2HA      GLY  52  -6.831 -11.179   2.853
  347    H    ALA  53           H        ALA  53  -3.755 -10.187   4.301
  348    HA   ALA  53           HA       ALA  53  -2.760 -12.880   4.421
  349    HB1  ALA  53           1HB      ALA  53  -1.732 -10.214   4.968
  350    HB2  ALA  53           2HB      ALA  53  -1.237 -11.384   6.193
  351    HB3  ALA  53           3HB      ALA  53  -0.874 -11.680   4.491
  352    H    GLY  54           H        GLY  54  -5.115 -13.175   5.503
  353    HA2  GLY  54           1HA      GLY  54  -5.111 -14.427   7.806
  354    HA3  GLY  54           2HA      GLY  54  -4.969 -12.777   8.401
  355    H    LEU  55           H        LEU  55  -6.833 -11.887   8.974
  356    HA   LEU  55           HA       LEU  55  -9.277 -12.713   7.544
  357    HB2  LEU  55           2HB      LEU  55  -8.712 -12.226  10.429
  358    HB3  LEU  55           1HB      LEU  55 -10.288 -11.757   9.822
  359    HG   LEU  55           HG       LEU  55  -9.140 -14.532   9.568
  360   HD11  LEU  55          1HD1      LEU  55  -9.777 -14.964  11.648
  361   HD12  LEU  55          2HD1      LEU  55 -10.151 -13.254  11.867
  362   HD13  LEU  55          3HD1      LEU  55 -11.401 -14.364  11.307
  363   HD21  LEU  55          3HD2      LEU  55 -11.987 -14.379   9.452
  364   HD22  LEU  55          1HD2      LEU  55 -11.306 -13.247   8.286
  365   HD23  LEU  55          2HD2      LEU  55 -10.860 -14.953   8.226
  366    H    LEU  56           H        LEU  56  -7.942 -10.810   6.323
  367    HA   LEU  56           HA       LEU  56  -8.369  -8.202   7.481
  368    HB2  LEU  56           2HB      LEU  56  -6.856  -9.312   5.197
  369    HB3  LEU  56           1HB      LEU  56  -7.400  -7.652   5.034
  370    HG   LEU  56           HG       LEU  56  -5.259  -7.442   5.917
  371   HD11  LEU  56          1HD1      LEU  56  -6.016  -5.986   7.404
  372   HD12  LEU  56          2HD1      LEU  56  -7.484  -6.929   7.656
  373   HD13  LEU  56          3HD1      LEU  56  -6.037  -7.284   8.595
  374   HD21  LEU  56          3HD2      LEU  56  -4.594  -9.599   6.459
  375   HD22  LEU  56          1HD2      LEU  56  -4.635  -8.796   8.027
  376   HD23  LEU  56          2HD2      LEU  56  -5.961  -9.855   7.544
  377    H    ASN  57           H        ASN  57  -9.004  -6.456   5.813
  378    HA   ASN  57           HA       ASN  57 -11.365  -7.261   4.291
  379    HB2  ASN  57           2HB      ASN  57 -11.681  -6.217   6.745
  380    HB3  ASN  57           1HB      ASN  57 -11.507  -4.722   5.834
  381   HD21  ASN  57          1HD2      ASN  57 -13.790  -5.833   7.257
  382   HD22  ASN  57          2HD2      ASN  57 -15.062  -5.936   6.100
  383    H    GLY  58           H        GLY  58 -12.163  -5.010   3.256
  384    HA2  GLY  58           1HA      GLY  58  -9.758  -3.994   1.853
  385    HA3  GLY  58           2HA      GLY  58 -11.335  -4.199   1.096
  386    H    LEU  59           H        LEU  59 -11.951  -2.200   0.551
  387    HA   LEU  59           HA       LEU  59 -11.480   0.130   2.081
  388    HB2  LEU  59           2HB      LEU  59 -12.431  -0.414  -0.436
  389    HB3  LEU  59           1HB      LEU  59 -13.883   0.120   0.384
  390    HG   LEU  59           HG       LEU  59 -12.060   1.735  -0.881
  391   HD11  LEU  59          1HD1      LEU  59 -14.510   1.961   0.340
  392   HD12  LEU  59          2HD1      LEU  59 -13.511   3.119   1.221
  393   HD13  LEU  59          3HD1      LEU  59 -13.659   3.235  -0.535
  394   HD21  LEU  59          3HD2      LEU  59 -10.669   2.812   0.552
  395   HD22  LEU  59          1HD2      LEU  59 -11.682   2.490   1.961
  396   HD23  LEU  59          2HD2      LEU  59 -10.660   1.214   1.298
  397    H    SER  60           H        SER  60 -12.934   1.313   3.396
  398    HA   SER  60           HA       SER  60 -14.515  -0.231   5.151
  399    HB2  SER  60           2HB      SER  60 -14.294   2.765   4.762
  400    HB3  SER  60           1HB      SER  60 -15.185   2.012   6.082
  401    HG   SER  60           HG       SER  60 -12.411   1.894   5.541
  402    H    GLY  61           H        GLY  61 -16.052  -1.319   3.938
  403    HA2  GLY  61           1HA      GLY  61 -18.475  -1.254   3.781
  404    HA3  GLY  61           2HA      GLY  61 -18.330   0.366   3.119
  405    H    ASN  62           H        ASN  62 -16.163  -0.261   1.317
  406    HA   ASN  62           HA       ASN  62 -17.823  -1.396  -0.787
  407    HB2  ASN  62           2HB      ASN  62 -16.367   0.788  -0.903
  408    HB3  ASN  62           1HB      ASN  62 -15.069  -0.340  -1.294
  409   HD21  ASN  62          1HD2      ASN  62 -14.748  -0.289  -3.418
  410   HD22  ASN  62          2HD2      ASN  62 -15.992  -0.319  -4.628
  411    H    THR  63           H        THR  63 -17.793  -3.575  -0.628
  412    HA   THR  63           HA       THR  63 -15.417  -5.086  -0.140
  413    HB   THR  63           HB       THR  63 -17.481  -6.661  -1.365
  414    HG1  THR  63           1HG      THR  63 -18.539  -5.415   0.903
  415   HG21  THR  63          3HG2      THR  63 -17.321  -7.914   0.592
  416   HG22  THR  63          1HG2      THR  63 -16.912  -6.512   1.578
  417   HG23  THR  63          2HG2      THR  63 -15.723  -7.182   0.461
  418    H    GLY  64           H        GLY  64 -14.218  -3.964  -1.924
  419    HA2  GLY  64           1HA      GLY  64 -13.954  -5.742  -4.140
  420    HA3  GLY  64           2HA      GLY  64 -14.688  -4.218  -4.630
  421    H    SER  65           H        SER  65 -13.429  -2.338  -3.261
  422    HA   SER  65           HA       SER  65 -10.761  -2.352  -4.313
  423    HB2  SER  65           2HB      SER  65 -11.411  -0.190  -2.462
  424    HB3  SER  65           1HB      SER  65 -10.942  -0.112  -4.160
  425    HG   SER  65           HG       SER  65 -12.968   0.496  -4.352
  426    H    ALA  66           H        ALA  66 -10.074  -4.236  -3.023
  427    HA   ALA  66           HA       ALA  66  -9.603  -3.882  -0.213
  428    HB1  ALA  66           1HB      ALA  66  -9.084  -5.949  -2.233
  429    HB2  ALA  66           2HB      ALA  66  -7.880  -5.851  -0.948
  430    HB3  ALA  66           3HB      ALA  66  -9.577  -6.109  -0.548
  431    H    CYS  67           H        CYS  67  -7.621  -3.341   0.792
  432    HA   CYS  67           HA       CYS  67  -5.717  -2.071  -1.051
  433    HB2  CYS  67           2HB      CYS  67  -6.336  -0.966   1.679
  434    HB3  CYS  67           1HB      CYS  67  -5.532  -0.173   0.329
  435    H    ALA  68           H        ALA  68  -3.554  -2.068  -0.461
  436    HA   ALA  68           HA       ALA  68  -2.892  -3.974   1.663
  437    HB1  ALA  68           1HB      ALA  68  -0.719  -3.283  -0.136
  438    HB2  ALA  68           2HB      ALA  68  -1.319  -4.865   0.364
  439    HB3  ALA  68           3HB      ALA  68  -2.104  -4.003  -0.960
  440    H    LYS  69           H        LYS  69  -1.525  -3.437   3.243
  441    HA   LYS  69           HA       LYS  69  -0.929  -0.598   3.540
  442    HB2  LYS  69           2HB      LYS  69  -0.146  -1.669   5.885
  443    HB3  LYS  69           1HB      LYS  69  -1.807  -1.191   5.561
  444    HG2  LYS  69           2HG      LYS  69  -1.123  -3.932   4.750
  445    HG3  LYS  69           1HG      LYS  69  -1.066  -3.622   6.486
  446    HD2  LYS  69           2HD      LYS  69  -3.294  -3.450   6.641
  447    HD3  LYS  69           1HD      LYS  69  -3.407  -2.476   5.171
  448    HE2  LYS  69           2HE      LYS  69  -4.106  -4.229   4.009
  449    HE3  LYS  69           1HE      LYS  69  -2.696  -5.168   4.497
  450    HZ1  LYS  69           3HZ      LYS  69  -4.841  -4.831   6.449
  451    HZ2  LYS  69           1HZ      LYS  69  -3.805  -6.152   6.188
  452    HZ3  LYS  69           2HZ      LYS  69  -5.125  -5.878   5.150
  453    H    ALA  70           H        ALA  70   1.243  -0.075   4.558
  454    HA   ALA  70           HA       ALA  70   3.360  -1.023   2.978
  455    HB1  ALA  70           1HB      ALA  70   4.189   0.844   3.859
  456    HB2  ALA  70           2HB      ALA  70   3.026   0.816   5.184
  457    HB3  ALA  70           3HB      ALA  70   4.533  -0.089   5.314
  458    H    SER  71           H        SER  71   2.047  -2.102   6.022
  459    HA   SER  71           HA       SER  71   4.091  -3.866   6.806
  460    HB2  SER  71           2HB      SER  71   1.589  -4.915   7.629
  461    HB3  SER  71           1HB      SER  71   2.707  -3.926   8.574
  462    HG   SER  71           HG       SER  71   0.943  -2.683   8.541
  463    H    LEU  72           H        LEU  72   1.565  -4.115   4.411
  464    HA   LEU  72           HA       LEU  72   1.985  -6.983   4.116
  465    HB2  LEU  72           2HB      LEU  72  -0.188  -5.256   3.604
  466    HB3  LEU  72           1HB      LEU  72   0.325  -5.899   2.051
  467    HG   LEU  72           HG       LEU  72   0.009  -8.156   2.795
  468   HD11  LEU  72          1HD1      LEU  72  -0.703  -8.709   5.053
  469   HD12  LEU  72          2HD1      LEU  72   0.843  -7.857   5.078
  470   HD13  LEU  72          3HD1      LEU  72  -0.642  -7.002   5.506
  471   HD21  LEU  72          3HD2      LEU  72  -2.272  -6.345   3.543
  472   HD22  LEU  72          1HD2      LEU  72  -2.010  -7.184   2.013
  473   HD23  LEU  72          2HD2      LEU  72  -2.411  -8.102   3.467
  474    H    ILE  73           H        ILE  73   2.871  -3.979   2.613
  475    HA   ILE  73           HA       ILE  73   3.964  -5.162   0.258
  476    HB   ILE  73           HB       ILE  73   4.441  -2.492   1.581
  477   HG12  ILE  73          2HG1      ILE  73   3.128  -3.113  -1.061
  478   HG13  ILE  73          1HG1      ILE  73   2.226  -3.117   0.448
  479   HG21  ILE  73          1HG2      ILE  73   5.452  -3.332  -1.134
  480   HG22  ILE  73          2HG2      ILE  73   5.723  -1.792  -0.314
  481   HG23  ILE  73          3HG2      ILE  73   6.454  -3.268   0.316
  482   HD11  ILE  73          3HD1      ILE  73   2.167  -1.019  -0.985
  483   HD12  ILE  73          1HD1      ILE  73   2.488  -0.825   0.737
  484   HD13  ILE  73          2HD1      ILE  73   3.813  -0.735  -0.420
  485    H    ASP  74           H        ASP  74   5.044  -4.552   3.494
  486    HA   ASP  74           HA       ASP  74   7.737  -5.472   3.087
  487    HB2  ASP  74           2HB      ASP  74   7.751  -4.120   4.923
  488    HB3  ASP  74           1HB      ASP  74   6.075  -4.462   5.311
  489    H    GLN  75           H        GLN  75   4.728  -6.929   3.311
  490    HA   GLN  75           HA       GLN  75   5.673  -9.406   4.521
  491    HB2  GLN  75           2HB      GLN  75   3.254  -8.076   4.608
  492    HB3  GLN  75           1HB      GLN  75   2.937  -9.381   3.477
  493    HG2  GLN  75           2HG      GLN  75   2.360  -9.932   5.804
  494    HG3  GLN  75           1HG      GLN  75   3.561 -11.021   5.109
  495   HE21  GLN  75          1HE2      GLN  75   3.805  -7.796   6.525
  496   HE22  GLN  75          2HE2      GLN  75   4.970  -8.221   7.716
  497    H    LEU  76           H        LEU  76   4.304  -8.239   1.454
  498    HA   LEU  76           HA       LEU  76   5.072 -10.824   0.267
  499    HB2  LEU  76           2HB      LEU  76   2.739  -9.062  -0.472
  500    HB3  LEU  76           1HB      LEU  76   3.178 -10.558  -1.278
  501    HG   LEU  76           HG       LEU  76   2.936 -11.250   1.420
  502   HD11  LEU  76          1HD1      LEU  76   0.482 -10.512   1.715
  503   HD12  LEU  76          2HD1      LEU  76   1.775  -9.387   2.139
  504   HD13  LEU  76          3HD1      LEU  76   0.911  -9.209   0.610
  505   HD21  LEU  76          3HD2      LEU  76   0.830 -12.366   0.578
  506   HD22  LEU  76          1HD2      LEU  76   1.164 -11.607  -0.976
  507   HD23  LEU  76          2HD2      LEU  76   2.320 -12.746  -0.284
  508    H    GLY  77           H        GLY  77   4.758  -7.338  -0.320
  509    HA2  GLY  77           1HA      GLY  77   6.256  -6.050  -1.609
  510    HA3  GLY  77           2HA      GLY  77   6.940  -7.536  -2.250
  511    H    LEU  78           H        LEU  78   3.681  -6.167  -2.196
  512    HA   LEU  78           HA       LEU  78   3.167  -7.151  -4.852
  513    HB2  LEU  78           2HB      LEU  78   0.915  -6.101  -4.438
  514    HB3  LEU  78           1HB      LEU  78   1.389  -7.365  -3.321
  515    HG   LEU  78           HG       LEU  78   2.220  -4.821  -2.285
  516   HD11  LEU  78          1HD1      LEU  78   0.535  -3.708  -3.447
  517   HD12  LEU  78          2HD1      LEU  78  -0.611  -5.035  -3.242
  518   HD13  LEU  78          3HD1      LEU  78  -0.163  -4.033  -1.861
  519   HD21  LEU  78          3HD2      LEU  78   1.722  -5.895  -0.405
  520   HD22  LEU  78          1HD2      LEU  78   0.029  -6.043  -0.882
  521   HD23  LEU  78          2HD2      LEU  78   1.198  -7.268  -1.381
  522    H    LEU  79           H        LEU  79   2.102  -5.710  -6.481
  523    HA   LEU  79           HA       LEU  79   3.383  -3.047  -6.515
  524    HB2  LEU  79           2HB      LEU  79   3.267  -3.495  -9.113
  525    HB3  LEU  79           1HB      LEU  79   4.612  -4.071  -8.148
  526    HG   LEU  79           HG       LEU  79   3.070  -6.243  -7.984
  527   HD11  LEU  79          1HD1      LEU  79   1.801  -6.669  -9.927
  528   HD12  LEU  79          2HD1      LEU  79   1.294  -5.081  -9.356
  529   HD13  LEU  79          3HD1      LEU  79   2.397  -5.212 -10.727
  530   HD21  LEU  79          3HD2      LEU  79   4.870  -7.054  -8.995
  531   HD22  LEU  79          1HD2      LEU  79   4.316  -6.402 -10.539
  532   HD23  LEU  79          2HD2      LEU  79   5.330  -5.422  -9.479
  533    H    ALA  80           H        ALA  80   0.522  -4.546  -6.278
  534    HA   ALA  80           HA       ALA  80  -1.099  -3.611  -8.326
  535    HB1  ALA  80           1HB      ALA  80  -2.980  -3.994  -6.779
  536    HB2  ALA  80           2HB      ALA  80  -1.832  -5.335  -6.823
  537    HB3  ALA  80           3HB      ALA  80  -1.818  -4.206  -5.468
  538    H    LEU  81           H        LEU  81  -0.086  -1.961  -5.395
  539    HA   LEU  81           HA       LEU  81  -1.698   0.355  -6.229
  540    HB2  LEU  81           2HB      LEU  81  -1.020   0.719  -3.539
  541    HB3  LEU  81           1HB      LEU  81  -2.601   0.353  -4.204
  542    HG   LEU  81           HG       LEU  81  -0.955  -2.026  -3.887
  543   HD11  LEU  81          1HD1      LEU  81  -1.569  -1.798  -1.281
  544   HD12  LEU  81          2HD1      LEU  81   0.011  -1.377  -1.953
  545   HD13  LEU  81          3HD1      LEU  81  -1.185  -0.114  -1.655
  546   HD21  LEU  81          3HD2      LEU  81  -3.632  -1.381  -4.025
  547   HD22  LEU  81          1HD2      LEU  81  -2.968  -2.955  -3.578
  548   HD23  LEU  81          2HD2      LEU  81  -3.404  -1.791  -2.324
  549    H    VAL  82           H        VAL  82   1.065  -0.390  -7.006
  550    HA   VAL  82           HA       VAL  82   2.402   2.026  -5.974
  551    HB   VAL  82           HB       VAL  82   4.008  -0.214  -7.146
  552   HG11  VAL  82          1HG1      VAL  82   5.020   1.198  -4.812
  553   HG12  VAL  82          2HG1      VAL  82   5.750   0.963  -6.401
  554   HG13  VAL  82          3HG1      VAL  82   4.607   2.281  -6.140
  555   HG21  VAL  82          3HG2      VAL  82   4.147  -0.551  -4.378
  556   HG22  VAL  82          1HG2      VAL  82   2.426  -0.440  -4.745
  557   HG23  VAL  82          2HG2      VAL  82   3.425  -1.650  -5.554
  558    H    ASP  83           H        ASP  83   3.250   3.448  -7.434
  559    HA   ASP  83           HA       ASP  83   2.839   2.771 -10.269
  560    HB2  ASP  83           2HB      ASP  83   1.182   4.430  -9.055
  561    HB3  ASP  83           1HB      ASP  83   2.462   5.594  -9.371
  562    H    HIS  84           H        HIS  84   3.830   4.688 -11.619
  563    HA   HIS  84           HA       HIS  84   6.569   4.201 -11.593
  564    HB2  HIS  84           2HB      HIS  84   6.727   5.684 -13.448
  565    HB3  HIS  84           1HB      HIS  84   5.154   4.905 -13.569
  566    HD1  HIS  84           1HD      HIS  84   3.080   6.438 -12.680
  567    HD2  HIS  84           2HD      HIS  84   6.662   8.395 -13.511
  568    HE1  HIS  84           1HE      HIS  84   2.493   8.875 -12.911
  569    HE2  HIS  84           2HE      HIS  84   4.704  10.053 -13.152
  570    H    THR  85           H        THR  85   8.278   5.146 -10.726
  571    HA   THR  85           HA       THR  85   8.219   7.855  -9.760
  572    HB   THR  85           HB       THR  85   7.157   6.749  -7.894
  573    HG1  THR  85           1HG      THR  85   8.770   7.158  -6.264
  574   HG21  THR  85          3HG2      THR  85   9.549   4.966  -7.584
  575   HG22  THR  85          1HG2      THR  85   8.163   4.490  -8.565
  576   HG23  THR  85          2HG2      THR  85   7.953   4.819  -6.845
  577    H    GLU  86           H        GLU  86  10.315   8.654  -9.318
  578    HA   GLU  86           HA       GLU  86  12.489   6.891 -10.232
  579    HB2  GLU  86           2HB      GLU  86  13.623   8.808 -11.052
  580    HB3  GLU  86           1HB      GLU  86  11.940   9.017 -11.521
  581    HG2  GLU  86           2HG      GLU  86  13.022  10.255  -9.017
  582    HG3  GLU  86           1HG      GLU  86  13.204  11.034 -10.589
  583    H    GLU  87           H        GLU  87  11.248   8.628  -7.577
  584    HA   GLU  87           HA       GLU  87  13.789   8.736  -6.166
  585    HB2  GLU  87           2HB      GLU  87  12.258  10.628  -5.946
  586    HB3  GLU  87           1HB      GLU  87  11.001   9.561  -5.333
  587    HG2  GLU  87           2HG      GLU  87  11.749   9.802  -3.266
  588    HG3  GLU  87           1HG      GLU  87  13.358   9.263  -3.747
  589    H    GLY  88           H        GLY  88  10.641   7.147  -5.898
  590    HA2  GLY  88           1HA      GLY  88  11.569   4.730  -4.909
  591    HA3  GLY  88           2HA      GLY  88  11.224   5.738  -3.509
  592    HA   PRO  89           HA       PRO  89   7.561   3.398  -5.876
  593    HB2  PRO  89           2HB      PRO  89   7.551   2.079  -3.179
  594    HB3  PRO  89           1HB      PRO  89   7.134   1.405  -4.759
  595    HG2  PRO  89           2HG      PRO  89   9.479   0.866  -3.665
  596    HG3  PRO  89           1HG      PRO  89   9.354   1.191  -5.404
  597    HD2  PRO  89           2HD      PRO  89  10.415   2.918  -3.227
  598    HD3  PRO  89           1HD      PRO  89  10.910   2.805  -4.927
  599    H    VAL  90           H        VAL  90   5.684   4.492  -5.829
  600    HA   VAL  90           HA       VAL  90   4.822   5.656  -3.259
  601    HB   VAL  90           HB       VAL  90   3.912   7.594  -4.601
  602   HG11  VAL  90          1HG1      VAL  90   6.671   7.036  -3.824
  603   HG12  VAL  90          2HG1      VAL  90   6.518   8.329  -5.016
  604   HG13  VAL  90          3HG1      VAL  90   5.657   8.438  -3.482
  605   HG21  VAL  90          3HG2      VAL  90   5.939   6.923  -6.690
  606   HG22  VAL  90          1HG2      VAL  90   4.319   6.229  -6.793
  607   HG23  VAL  90          2HG2      VAL  90   4.531   7.982  -6.790
  608    H    CYS  91           H        CYS  91   2.465   6.653  -3.725
  609    HA   CYS  91           HA       CYS  91   0.802   4.376  -3.991
  610    HB2  CYS  91           2HB      CYS  91   0.534   7.140  -3.173
  611    HB3  CYS  91           1HB      CYS  91  -0.833   6.647  -4.167
  612    H    LYS  92           H        LYS  92  -0.371   3.642  -5.640
  613    HA   LYS  92           HA       LYS  92   0.080   4.770  -8.263
  614    HB2  LYS  92           2HB      LYS  92   0.211   2.371  -7.976
  615    HB3  LYS  92           1HB      LYS  92  -1.425   2.320  -7.339
  616    HG2  LYS  92           2HG      LYS  92  -2.294   2.166  -9.376
  617    HG3  LYS  92           1HG      LYS  92  -1.355   3.545  -9.954
  618    HD2  LYS  92           2HD      LYS  92   0.595   2.063 -10.232
  619    HD3  LYS  92           1HD      LYS  92  -0.405   0.697  -9.739
  620    HE2  LYS  92           2HE      LYS  92  -0.951   0.442 -11.888
  621    HE3  LYS  92           1HE      LYS  92  -1.851   1.955 -11.763
  622    HZ1  LYS  92           3HZ      LYS  92  -0.434   2.379 -13.501
  623    HZ2  LYS  92           1HZ      LYS  92   0.844   1.483 -12.850
  624    HZ3  LYS  92           2HZ      LYS  92   0.455   3.012 -12.211
  625    H    ASN  93           H        ASN  93  -2.449   4.789  -5.888
  626    HA   ASN  93           HA       ASN  93  -4.223   6.137  -7.761
  627    HB2  ASN  93           2HB      ASN  93  -4.460   3.355  -7.184
  628    HB3  ASN  93           1HB      ASN  93  -5.839   4.183  -6.472
  629   HD21  ASN  93          1HD2      ASN  93  -3.990   3.925  -9.475
  630   HD22  ASN  93          2HD2      ASN  93  -5.347   4.124 -10.524
  631    H    ILE  94           H        ILE  94  -5.241   4.448  -4.859
  632    HA   ILE  94           HA       ILE  94  -6.340   7.014  -3.946
  633    HB   ILE  94           HB       ILE  94  -7.170   4.225  -3.133
  634   HG12  ILE  94          2HG1      ILE  94  -8.771   5.873  -5.047
  635   HG13  ILE  94          1HG1      ILE  94  -7.380   4.985  -5.659
  636   HG21  ILE  94          1HG2      ILE  94  -9.186   5.243  -2.342
  637   HG22  ILE  94          2HG2      ILE  94  -7.803   6.056  -1.608
  638   HG23  ILE  94          3HG2      ILE  94  -8.673   6.822  -2.937
  639   HD11  ILE  94          3HD1      ILE  94  -9.303   3.639  -5.983
  640   HD12  ILE  94          1HD1      ILE  94  -8.375   2.920  -4.665
  641   HD13  ILE  94          2HD1      ILE  94  -9.821   3.868  -4.313
  642    H    VAL  95           H        VAL  95  -5.293   7.957  -2.330
  643    HA   VAL  95           HA       VAL  95  -3.505   6.565  -0.578
  644    HB   VAL  95           HB       VAL  95  -4.644   9.344  -0.194
  645   HG11  VAL  95          1HG1      VAL  95  -3.519   8.602   1.767
  646   HG12  VAL  95          2HG1      VAL  95  -2.161   7.981   0.830
  647   HG13  VAL  95          3HG1      VAL  95  -2.438   9.719   0.932
  648   HG21  VAL  95          3HG2      VAL  95  -2.273   9.871  -1.273
  649   HG22  VAL  95          1HG2      VAL  95  -2.579   8.330  -2.076
  650   HG23  VAL  95          2HG2      VAL  95  -3.723   9.660  -2.257
  651    H    ALA  96           H        ALA  96  -3.961   5.579   1.301
  652    HA   ALA  96           HA       ALA  96  -6.321   6.259   2.837
  653    HB1  ALA  96           1HB      ALA  96  -7.057   3.803   2.768
  654    HB2  ALA  96           2HB      ALA  96  -7.454   4.825   1.388
  655    HB3  ALA  96           3HB      ALA  96  -6.101   3.699   1.291
  656    H    CYS  97           H        CYS  97  -6.522   4.563   4.700
  657    HA   CYS  97           HA       CYS  97  -3.842   3.672   5.533
  658    HB2  CYS  97           2HB      CYS  97  -5.901   4.898   7.385
  659    HB3  CYS  97           1HB      CYS  97  -4.277   4.364   7.814
  660    H    CYS  98           H        CYS  98  -3.729   1.626   6.208
  661    HA   CYS  98           HA       CYS  98  -6.263   0.144   6.504
  662    HB2  CYS  98           2HB      CYS  98  -3.755  -0.534   5.008
  663    HB3  CYS  98           1HB      CYS  98  -4.792  -1.812   5.622
  664    HA   PRO  99           HA       PRO  99  -4.215  -1.503  10.156
  665    HB2  PRO  99           2HB      PRO  99  -6.261  -2.921  11.110
  666    HB3  PRO  99           1HB      PRO  99  -6.307  -1.154  11.134
  667    HG2  PRO  99           2HG      PRO  99  -7.624  -3.055   9.240
  668    HG3  PRO  99           1HG      PRO  99  -8.271  -1.574   9.968
  669    HD2  PRO  99           2HD      PRO  99  -7.205  -1.752   7.413
  670    HD3  PRO  99           1HD      PRO  99  -7.361  -0.250   8.346
  671    H    GLU 100           H        GLU 100  -3.335  -3.534  10.730
  672    HA   GLU 100           HA       GLU 100  -3.674  -5.654   8.742
  673    HB2  GLU 100           2HB      GLU 100  -1.406  -4.648  10.092
  674    HB3  GLU 100           1HB      GLU 100  -1.703  -6.244  10.768
  675    HG2  GLU 100           2HG      GLU 100  -0.906  -5.464   8.019
  676    HG3  GLU 100           1HG      GLU 100  -0.343  -6.793   9.035
  677    H    GLY 101           H        GLY 101  -3.961  -7.871   9.537
  678    HA2  GLY 101           1HA      GLY 101  -4.642  -9.401  11.218
  679    HA3  GLY 101           2HA      GLY 101  -5.079  -8.040  12.241
  680    H    THR 102           H        THR 102  -6.915  -6.685  11.387
  681    HA   THR 102           HA       THR 102  -8.895  -8.177   9.871
  682    HB   THR 102           HB       THR 102 -10.502  -7.508  11.918
  683    HG1  THR 102           1HG      THR 102  -9.265  -8.227  13.855
  684   HG21  THR 102          3HG2      THR 102  -9.087  -9.959  11.135
  685   HG22  THR 102          1HG2      THR 102 -10.803  -9.684  11.430
  686   HG23  THR 102          2HG2      THR 102  -9.713  -9.962  12.786
  687    H    THR 103           H        THR 103 -10.961  -6.890   9.683
  688    HA   THR 103           HA       THR 103 -12.248  -5.044   9.461
  689    HB   THR 103           HB       THR 103 -10.363  -3.106  10.667
  690    HG1  THR 103           1HG      THR 103  -9.915  -4.827  12.021
  691   HG21  THR 103          3HG2      THR 103 -12.785  -3.189  12.052
  692   HG22  THR 103          1HG2      THR 103 -13.208  -3.513  10.372
  693   HG23  THR 103          2HG2      THR 103 -12.324  -2.046  10.792
  694    H    ASN 104           H        ASN 104 -12.224  -2.762   8.562
  695    HA   ASN 104           HA       ASN 104 -10.861  -3.069   6.003
  696    HB2  ASN 104           2HB      ASN 104 -12.646  -1.127   5.522
  697    HB3  ASN 104           1HB      ASN 104 -13.069  -2.837   5.477
  698   HD21  ASN 104          1HD2      ASN 104 -13.404   0.158   7.163
  699   HD22  ASN 104          2HD2      ASN 104 -14.609  -0.372   8.297
  700    H    CYS 105           H        CYS 105 -10.689  -0.805   4.833
  701    HA   CYS 105           HA       CYS 105  -8.965   0.850   6.562
  702    HB2  CYS 105           2HB      CYS 105  -8.827   0.751   3.568
  703    HB3  CYS 105           1HB      CYS 105  -7.593   1.271   4.709
  704    H    VAL 106           H        VAL 106  -9.182   3.035   6.568
  705    HA   VAL 106           HA       VAL 106 -11.490   4.184   5.227
  706    HB   VAL 106           HB       VAL 106 -11.491   5.850   6.785
  707   HG11  VAL 106          1HG1      VAL 106 -11.656   4.024   8.219
  708   HG12  VAL 106          2HG1      VAL 106  -9.952   3.607   8.034
  709   HG13  VAL 106          3HG1      VAL 106 -10.414   5.025   8.971
  710   HG21  VAL 106          3HG2      VAL 106  -9.200   6.462   7.982
  711   HG22  VAL 106          1HG2      VAL 106  -8.536   5.802   6.485
  712   HG23  VAL 106          2HG2      VAL 106  -9.657   7.163   6.430
  713    H    ALA 107           H        ALA 107 -11.312   6.022   3.824
  714    HA   ALA 107           HA       ALA 107  -8.726   6.051   2.411
  715    HB1  ALA 107           1HB      ALA 107 -11.334   5.652   1.458
  716    HB2  ALA 107           2HB      ALA 107 -10.842   7.248   0.893
  717    HB3  ALA 107           3HB      ALA 107  -9.856   5.835   0.512
  718    H    VAL 108           H        VAL 108  -7.700   7.968   1.935
  719    HA   VAL 108           HA       VAL 108  -8.998  10.427   2.902
  720    HB   VAL 108           HB       VAL 108  -6.219  10.773   3.261
  721   HG11  VAL 108          1HG1      VAL 108  -6.942  10.951   5.682
  722   HG12  VAL 108          2HG1      VAL 108  -7.790  11.990   4.531
  723   HG13  VAL 108          3HG1      VAL 108  -8.563  10.519   5.125
  724   HG21  VAL 108          3HG2      VAL 108  -5.978   9.015   5.143
  725   HG22  VAL 108          1HG2      VAL 108  -7.221   8.131   4.260
  726   HG23  VAL 108          2HG2      VAL 108  -5.690   8.519   3.475
  727    H    ASP 109           H        ASP 109  -8.408   9.125   0.219
  728    HA   ASP 109           HA       ASP 109  -6.594  10.874  -1.116
  729    HB2  ASP 109           2HB      ASP 109  -6.833   9.051  -2.454
  730    HB3  ASP 109           1HB      ASP 109  -8.468   8.729  -1.893
  731    H    ASN 110           H        ASN 110 -10.132  10.653  -1.077
  732    HA   ASN 110           HA       ASN 110 -11.782  12.176  -1.299
  733    HB2  ASN 110           2HB      ASN 110  -9.627  14.201  -0.686
  734    HB3  ASN 110           1HB      ASN 110 -11.358  14.533  -0.713
  735   HD21  ASN 110          1HD2      ASN 110  -8.924  14.137   1.310
  736   HD22  ASN 110          2HD2      ASN 110  -9.733  13.396   2.651
  737    H    ALA 111           H        ALA 111  -9.213  14.200  -2.549
  738    HA   ALA 111           HA       ALA 111  -9.805  13.757  -5.296
  739    HB1  ALA 111           1HB      ALA 111 -11.538  15.126  -5.551
  740    HB2  ALA 111           2HB      ALA 111 -11.371  15.753  -3.912
  741    HB3  ALA 111           3HB      ALA 111 -10.429  16.458  -5.225
  742    H    GLY 112           H        GLY 112  -7.443  13.551  -4.203
  743    HA2  GLY 112           1HA      GLY 112  -5.869  15.536  -5.496
  744    HA3  GLY 112           2HA      GLY 112  -5.882  15.801  -3.760
  745    H    ALA 113           H        ALA 113  -5.032  13.517  -6.291
  746    HA   ALA 113           HA       ALA 113  -2.797  12.599  -4.662
  747    HB1  ALA 113           1HB      ALA 113  -5.011  10.845  -5.652
  748    HB2  ALA 113           2HB      ALA 113  -3.382  10.201  -5.439
  749    HB3  ALA 113           3HB      ALA 113  -4.250  10.888  -4.063
  750    H    GLY 114           H        GLY 114  -1.459  13.691  -6.126
  751    HA2  GLY 114           1HA      GLY 114  -1.637  13.210  -8.954
  752    HA3  GLY 114           2HA      GLY 114  -0.356  14.078  -8.112
  753    H    THR 115           H        THR 115   1.107  12.636  -6.770
  754    HA   THR 115           HA       THR 115   1.345   9.879  -7.467
  755    HB   THR 115           HB       THR 115   3.877  10.841  -8.339
  756    HG1  THR 115           1HG      THR 115   1.648  12.101  -9.554
  757   HG21  THR 115          3HG2      THR 115   1.616   9.386  -9.690
  758   HG22  THR 115          1HG2      THR 115   3.080   8.704  -8.981
  759   HG23  THR 115          2HG2      THR 115   3.179   9.664 -10.458
  760    H    LYS 116           H        LYS 116   3.007  12.782  -6.334
  761    HA   LYS 116           HA       LYS 116   3.688  11.798  -3.822
  762    HB2  LYS 116           2HB      LYS 116   6.215  11.634  -4.166
  763    HB3  LYS 116           1HB      LYS 116   5.253  10.269  -4.712
  764    HG2  LYS 116           2HG      LYS 116   5.411  11.065  -7.010
  765    HG3  LYS 116           1HG      LYS 116   6.352  12.456  -6.470
  766    HD2  LYS 116           2HD      LYS 116   7.571  10.110  -5.422
  767    HD3  LYS 116           1HD      LYS 116   7.262   9.845  -7.139
  768    HE2  LYS 116           2HE      LYS 116   8.583  12.341  -6.094
  769    HE3  LYS 116           1HE      LYS 116   9.490  10.895  -6.538
  770    HZ1  LYS 116           3HZ      LYS 116   7.665  11.637  -8.583
  771    HZ2  LYS 116           1HZ      LYS 116   9.342  11.411  -8.673
  772    HZ3  LYS 116           2HZ      LYS 116   8.708  12.920  -8.215
  773    H    ALA 117           H        ALA 117   4.468  13.901  -6.500
  774    HA   ALA 117           HA       ALA 117   5.435  15.978  -4.694
  775    HB1  ALA 117           1HB      ALA 117   5.772  15.384  -7.522
  776    HB2  ALA 117           2HB      ALA 117   5.362  17.076  -7.234
  777    HB3  ALA 117           3HB      ALA 117   6.770  16.360  -6.445
  778    H    GLU 118           H        GLU 118   3.495  16.406  -3.608
  779    HA   GLU 118           HA       GLU 118   1.258  17.338  -5.248
  780    HB2  GLU 118           2HB      GLU 118   1.218  16.734  -2.293
  781    HB3  GLU 118           1HB      GLU 118  -0.160  16.933  -3.368
  782    HG2  GLU 118           2HG      GLU 118   1.826  14.672  -3.375
  783    HG3  GLU 118           1HG      GLU 118   0.137  14.601  -2.878
  Start of MODEL    4
    1    H1   SER   1           1H       SER   1  28.147  -6.840  -4.099
    2    H2   SER   1           2H       SER   1  29.653  -6.113  -3.829
    3    H3   SER   1           3H       SER   1  28.282  -5.549  -3.011
    4    HA   SER   1           HA       SER   1  28.747  -8.341  -2.620
    5    HB2  SER   1           2HB      SER   1  30.706  -6.590  -1.194
    6    HB3  SER   1           1HB      SER   1  30.811  -8.309  -1.582
    7    HG   SER   1           HG       SER   1  31.759  -7.827  -3.395
    8    H    LEU   2           H        LEU   2  28.070  -8.935  -0.548
    9    HA   LEU   2           HA       LEU   2  26.030  -7.390   0.587
   10    HB2  LEU   2           2HB      LEU   2  27.279  -9.944   1.041
   11    HB3  LEU   2           1HB      LEU   2  26.969  -9.151   2.572
   12    HG   LEU   2           HG       LEU   2  25.141 -10.652   1.920
   13   HD11  LEU   2          1HD1      LEU   2  24.868  -8.345   3.137
   14   HD12  LEU   2          2HD1      LEU   2  23.984  -7.920   1.671
   15   HD13  LEU   2          3HD1      LEU   2  23.457  -9.286   2.654
   16   HD21  LEU   2          3HD2      LEU   2  23.694  -9.420  -0.007
   17   HD22  LEU   2          1HD2      LEU   2  25.333  -9.127  -0.586
   18   HD23  LEU   2          2HD2      LEU   2  24.782 -10.777  -0.296
   19    HA   PRO   3           HA       PRO   3  28.428  -4.518   3.062
   20    HB2  PRO   3           2HB      PRO   3  25.838  -3.954   4.341
   21    HB3  PRO   3           1HB      PRO   3  26.908  -2.869   3.454
   22    HG2  PRO   3           2HG      PRO   3  24.569  -3.694   2.427
   23    HG3  PRO   3           1HG      PRO   3  25.995  -3.423   1.409
   24    HD2  PRO   3           2HD      PRO   3  24.847  -5.995   2.421
   25    HD3  PRO   3           1HD      PRO   3  25.527  -5.615   0.824
   26    H    ALA   4           H        ALA   4  26.564  -7.155   4.134
   27    HA   ALA   4           HA       ALA   4  26.564  -8.466   5.980
   28    HB1  ALA   4           1HB      ALA   4  28.830  -8.879   5.530
   29    HB2  ALA   4           2HB      ALA   4  29.322  -7.293   6.127
   30    HB3  ALA   4           3HB      ALA   4  28.752  -8.523   7.255
   31    H    SER   5           H        SER   5  25.290  -5.980   6.293
   32    HA   SER   5           HA       SER   5  25.332  -5.846   9.197
   33    HB2  SER   5           2HB      SER   5  25.076  -3.193   8.718
   34    HB3  SER   5           1HB      SER   5  26.622  -3.961   9.071
   35    HG   SER   5           HG       SER   5  27.023  -4.076   6.851
   36    H    ALA   6           H        ALA   6  23.859  -3.445   7.120
   37    HA   ALA   6           HA       ALA   6  21.252  -4.776   7.346
   38    HB1  ALA   6           1HB      ALA   6  22.029  -2.507   8.867
   39    HB2  ALA   6           2HB      ALA   6  20.844  -1.980   7.674
   40    HB3  ALA   6           3HB      ALA   6  20.450  -3.286   8.788
   41    H    ALA   7           H        ALA   7  20.698  -5.076   5.285
   42    HA   ALA   7           HA       ALA   7  21.257  -2.916   3.358
   43    HB1  ALA   7           1HB      ALA   7  22.238  -4.689   2.340
   44    HB2  ALA   7           2HB      ALA   7  21.199  -5.866   3.143
   45    HB3  ALA   7           3HB      ALA   7  20.596  -4.957   1.759
   46    H    LYS   8           H        LYS   8  18.813  -4.055   5.232
   47    HA   LYS   8           HA       LYS   8  16.790  -2.798   3.608
   48    HB2  LYS   8           2HB      LYS   8  17.071  -5.361   3.002
   49    HB3  LYS   8           1HB      LYS   8  16.101  -5.577   4.450
   50    HG2  LYS   8           2HG      LYS   8  14.232  -4.931   3.425
   51    HG3  LYS   8           1HG      LYS   8  15.023  -3.551   2.663
   52    HD2  LYS   8           2HD      LYS   8  15.183  -4.630   0.721
   53    HD3  LYS   8           1HD      LYS   8  15.949  -6.017   1.500
   54    HE2  LYS   8           2HE      LYS   8  13.832  -6.568   0.323
   55    HE3  LYS   8           1HE      LYS   8  13.818  -6.969   2.040
   56    HZ1  LYS   8           3HZ      LYS   8  11.917  -5.840   2.107
   57    HZ2  LYS   8           1HZ      LYS   8  12.162  -5.150   0.575
   58    HZ3  LYS   8           2HZ      LYS   8  12.844  -4.436   1.948
   59    H    ASN   9           H        ASN   9  16.056  -1.450   5.037
   60    HA   ASN   9           HA       ASN   9  15.147  -2.524   7.613
   61    HB2  ASN   9           2HB      ASN   9  14.887   0.365   7.338
   62    HB3  ASN   9           1HB      ASN   9  15.682  -0.568   8.599
   63   HD21  ASN   9          1HD2      ASN   9  16.066   1.241   5.715
   64   HD22  ASN   9          2HD2      ASN   9  17.797   1.250   5.688
   65    H    ALA  10           H        ALA  10  13.103  -1.393   8.356
   66    HA   ALA  10           HA       ALA  10  11.043  -1.968   6.489
   67    HB1  ALA  10           1HB      ALA  10  10.721  -2.408   8.845
   68    HB2  ALA  10           2HB      ALA  10  10.897  -0.692   9.214
   69    HB3  ALA  10           3HB      ALA  10   9.511  -1.257   8.282
   70    H    LYS  11           H        LYS  11  11.967  -0.382   4.897
   71    HA   LYS  11           HA       LYS  11  10.358   2.062   5.042
   72    HB2  LYS  11           2HB      LYS  11  13.223   1.971   4.046
   73    HB3  LYS  11           1HB      LYS  11  12.160   3.368   3.989
   74    HG2  LYS  11           2HG      LYS  11  12.350   2.352   6.669
   75    HG3  LYS  11           1HG      LYS  11  13.952   2.680   6.000
   76    HD2  LYS  11           2HD      LYS  11  13.040   4.931   5.277
   77    HD3  LYS  11           1HD      LYS  11  11.630   4.578   6.281
   78    HE2  LYS  11           2HE      LYS  11  12.913   4.551   8.252
   79    HE3  LYS  11           1HE      LYS  11  14.429   4.444   7.360
   80    HZ1  LYS  11           3HZ      LYS  11  12.639   6.808   7.198
   81    HZ2  LYS  11           1HZ      LYS  11  14.246   6.677   6.667
   82    HZ3  LYS  11           2HZ      LYS  11  13.896   6.684   8.328
   83    H    LEU  12           H        LEU  12   9.757   2.858   2.915
   84    HA   LEU  12           HA       LEU  12   9.344   0.736   1.030
   85    HB2  LEU  12           2HB      LEU  12   8.656   3.669   0.937
   86    HB3  LEU  12           1HB      LEU  12   8.244   2.541  -0.339
   87    HG   LEU  12           HG       LEU  12   7.147   1.259   1.761
   88   HD11  LEU  12          1HD1      LEU  12   7.322   4.152   2.487
   89   HD12  LEU  12          2HD1      LEU  12   5.898   3.218   2.947
   90   HD13  LEU  12          3HD1      LEU  12   7.495   2.723   3.507
   91   HD21  LEU  12          3HD2      LEU  12   5.125   1.797   0.820
   92   HD22  LEU  12          1HD2      LEU  12   5.574   3.485   0.555
   93   HD23  LEU  12          2HD2      LEU  12   6.218   2.224  -0.497
   94    H    ALA  13           H        ALA  13  11.850   0.582   1.020
   95    HA   ALA  13           HA       ALA  13  13.818   0.721  -0.110
   96    HB1  ALA  13           1HB      ALA  13  13.705   0.839  -2.498
   97    HB2  ALA  13           2HB      ALA  13  12.292  -0.048  -1.925
   98    HB3  ALA  13           3HB      ALA  13  12.131   1.633  -2.435
   99    H    THR  14           H        THR  14  13.237   2.939   1.438
  100    HA   THR  14           HA       THR  14  13.713   5.116   1.842
  101    HB   THR  14           HB       THR  14  15.488   5.617  -0.422
  102    HG1  THR  14           1HG      THR  14  15.751   3.338  -0.285
  103   HG21  THR  14          3HG2      THR  14  16.932   5.504   1.963
  104   HG22  THR  14          1HG2      THR  14  15.325   6.069   2.428
  105   HG23  THR  14          2HG2      THR  14  16.249   6.942   1.206
  106    H    SER  15           H        SER  15  11.389   4.879   0.619
  107    HA   SER  15           HA       SER  15  10.915   5.891  -1.884
  108    HB2  SER  15           2HB      SER  15   8.709   6.735  -0.627
  109    HB3  SER  15           1HB      SER  15   9.010   5.033  -0.972
  110    HG   SER  15           HG       SER  15   8.551   5.049   1.145
  111    H    ALA  16           H        ALA  16  10.908   7.682   1.181
  112    HA   ALA  16           HA       ALA  16  11.258   9.845   1.734
  113    HB1  ALA  16           1HB      ALA  16  13.061  10.730   0.798
  114    HB2  ALA  16           2HB      ALA  16  13.031   9.412  -0.374
  115    HB3  ALA  16           3HB      ALA  16  12.232  10.939  -0.744
  116    H    ALA  17           H        ALA  17  10.194   9.772  -1.666
  117    HA   ALA  17           HA       ALA  17   8.671  12.155  -1.499
  118    HB1  ALA  17           1HB      ALA  17   8.729   9.869  -3.443
  119    HB2  ALA  17           2HB      ALA  17   7.612  11.222  -3.629
  120    HB3  ALA  17           3HB      ALA  17   9.350  11.504  -3.641
  121    H    PHE  18           H        PHE  18   7.904   8.772  -0.996
  122    HA   PHE  18           HA       PHE  18   5.089   9.083  -0.817
  123    HB2  PHE  18           2HB      PHE  18   6.265   6.909  -1.230
  124    HB3  PHE  18           1HB      PHE  18   6.804   6.930   0.446
  125    HD1  PHE  18           1HD      PHE  18   3.716   7.036  -1.621
  126    HD2  PHE  18           2HD      PHE  18   5.502   5.939   2.080
  127    HE1  PHE  18           1HE      PHE  18   1.627   5.921  -0.951
  128    HE2  PHE  18           2HE      PHE  18   3.419   4.821   2.759
  129    HZ   PHE  18           HZ       PHE  18   1.475   4.809   1.240
  130    H    ALA  19           H        ALA  19   7.707   9.642   1.364
  131    HA   ALA  19           HA       ALA  19   6.189   9.480   3.776
  132    HB1  ALA  19           1HB      ALA  19   8.147  10.565   4.817
  133    HB2  ALA  19           2HB      ALA  19   8.561   9.139   3.868
  134    HB3  ALA  19           3HB      ALA  19   8.858  10.749   3.214
  135    H    LYS  20           H        LYS  20   6.714  11.949   1.394
  136    HA   LYS  20           HA       LYS  20   5.979  14.176   3.007
  137    HB2  LYS  20           2HB      LYS  20   5.773  13.768   0.011
  138    HB3  LYS  20           1HB      LYS  20   5.532  15.304   0.829
  139    HG2  LYS  20           2HG      LYS  20   7.841  15.294   1.582
  140    HG3  LYS  20           1HG      LYS  20   8.093  13.718   0.829
  141    HD2  LYS  20           2HD      LYS  20   8.308  14.605  -1.225
  142    HD3  LYS  20           1HD      LYS  20   7.006  15.767  -0.967
  143    HE2  LYS  20           2HE      LYS  20   8.438  17.294   0.102
  144    HE3  LYS  20           1HE      LYS  20   9.694  16.082   0.338
  145    HZ1  LYS  20           3HZ      LYS  20   8.845  17.015  -2.351
  146    HZ2  LYS  20           1HZ      LYS  20  10.226  16.116  -1.944
  147    HZ3  LYS  20           2HZ      LYS  20  10.105  17.740  -1.474
  148    H    GLN  21           H        GLN  21   4.337  11.718   1.251
  149    HA   GLN  21           HA       GLN  21   1.709  12.818   1.392
  150    HB2  GLN  21           2HB      GLN  21   3.006  10.622   0.171
  151    HB3  GLN  21           1HB      GLN  21   1.744   9.950   1.186
  152    HG2  GLN  21           2HG      GLN  21   0.111  10.687  -0.163
  153    HG3  GLN  21           1HG      GLN  21   0.903  12.243  -0.412
  154   HE21  GLN  21          1HE2      GLN  21  -0.228   9.766  -2.064
  155   HE22  GLN  21          2HE2      GLN  21   0.893   9.689  -3.377
  156    H    ALA  22           H        ALA  22   3.746  10.949   3.471
  157    HA   ALA  22           HA       ALA  22   1.717   9.734   5.053
  158    HB1  ALA  22           1HB      ALA  22   3.412   8.627   5.997
  159    HB2  ALA  22           2HB      ALA  22   4.416   9.384   4.759
  160    HB3  ALA  22           3HB      ALA  22   4.298  10.109   6.364
  161    H    GLU  23           H        GLU  23   3.140  12.877   5.050
  162    HA   GLU  23           HA       GLU  23   1.758  13.437   7.585
  163    HB2  GLU  23           2HB      GLU  23   4.377  14.033   6.887
  164    HB3  GLU  23           1HB      GLU  23   3.524  15.558   6.675
  165    HG2  GLU  23           2HG      GLU  23   2.533  14.810   9.057
  166    HG3  GLU  23           1HG      GLU  23   4.116  14.039   9.130
  167    H    GLY  24           H        GLY  24   1.597  13.814   4.274
  168    HA2  GLY  24           1HA      GLY  24   0.131  16.310   4.299
  169    HA3  GLY  24           2HA      GLY  24   0.365  15.248   2.915
  170    H    THR  25           H        THR  25  -0.505  12.934   4.543
  171    HA   THR  25           HA       THR  25  -3.372  13.520   4.818
  172    HB   THR  25           HB       THR  25  -2.964  10.773   4.104
  173    HG1  THR  25           1HG      THR  25  -1.067  11.743   3.037
  174   HG21  THR  25          3HG2      THR  25  -5.068  11.520   3.614
  175   HG22  THR  25          1HG2      THR  25  -4.319  11.751   2.030
  176   HG23  THR  25          2HG2      THR  25  -4.502  13.119   3.128
  177    H    THR  26           H        THR  26  -4.310  12.707   6.642
  178    HA   THR  26           HA       THR  26  -2.558  11.815   8.705
  179    HB   THR  26           HB       THR  26  -5.442  11.561   9.193
  180    HG1  THR  26           1HG      THR  26  -5.216  14.128   9.222
  181   HG21  THR  26          3HG2      THR  26  -3.108  12.962  10.480
  182   HG22  THR  26          1HG2      THR  26  -4.013  11.574  11.076
  183   HG23  THR  26          2HG2      THR  26  -4.761  13.171  11.057
  184    H    CYS  27           H        CYS  27  -1.747   9.824   8.239
  185    HA   CYS  27           HA       CYS  27  -3.559   7.601   8.781
  186    HB2  CYS  27           2HB      CYS  27  -1.744   7.778   6.364
  187    HB3  CYS  27           1HB      CYS  27  -2.296   6.235   7.010
  188    H    ASN  28           H        ASN  28  -2.606   6.081  10.075
  189    HA   ASN  28           HA       ASN  28  -0.225   6.846  11.428
  190    HB2  ASN  28           2HB      ASN  28  -2.200   5.558  12.396
  191    HB3  ASN  28           1HB      ASN  28  -1.547   4.138  11.585
  192   HD21  ASN  28          1HD2      ASN  28  -1.127   6.430  14.143
  193   HD22  ASN  28          2HD2      ASN  28   0.126   5.574  14.978
  194    H    VAL  29           H        VAL  29   1.811   5.889  11.406
  195    HA   VAL  29           HA       VAL  29   2.733   5.005   8.901
  196    HB   VAL  29           HB       VAL  29   4.328   4.400  11.353
  197   HG11  VAL  29          1HG1      VAL  29   5.648   5.931   9.327
  198   HG12  VAL  29          2HG1      VAL  29   5.976   4.289   9.874
  199   HG13  VAL  29          3HG1      VAL  29   4.805   4.571   8.587
  200   HG21  VAL  29          3HG2      VAL  29   3.252   7.042  10.645
  201   HG22  VAL  29          1HG2      VAL  29   3.886   6.446  12.179
  202   HG23  VAL  29          2HG2      VAL  29   4.994   6.994  10.922
  203    H    GLY  30           H        GLY  30   1.826   3.249  11.821
  204    HA2  GLY  30           1HA      GLY  30   2.772   0.706  10.820
  205    HA3  GLY  30           2HA      GLY  30   1.854   0.974  12.294
  206    H    SER  31           H        SER  31   0.103   2.584  10.181
  207    HA   SER  31           HA       SER  31  -1.353   0.264   9.137
  208    HB2  SER  31           2HB      SER  31  -3.028   2.512  10.079
  209    HB3  SER  31           1HB      SER  31  -3.310   0.775  10.188
  210    HG   SER  31           HG       SER  31  -1.348   1.107  11.771
  211    H    ILE  32           H        ILE  32   0.425   1.952   7.748
  212    HA   ILE  32           HA       ILE  32  -1.342   3.707   6.212
  213    HB   ILE  32           HB       ILE  32   0.938   4.491   7.125
  214   HG12  ILE  32          2HG1      ILE  32   0.838   5.049   4.213
  215   HG13  ILE  32          1HG1      ILE  32  -0.623   5.383   5.138
  216   HG21  ILE  32          1HG2      ILE  32   1.841   2.766   4.847
  217   HG22  ILE  32          2HG2      ILE  32   2.791   4.129   5.432
  218   HG23  ILE  32          3HG2      ILE  32   2.416   2.787   6.511
  219   HD11  ILE  32          3HD1      ILE  32   1.582   6.431   6.578
  220   HD12  ILE  32          1HD1      ILE  32   1.706   6.960   4.900
  221   HD13  ILE  32          2HD1      ILE  32   0.241   7.289   5.822
  222    H    ALA  33           H        ALA  33  -1.808   3.346   4.079
  223    HA   ALA  33           HA       ALA  33  -0.675   0.996   2.783
  224    HB1  ALA  33           1HB      ALA  33  -2.311  -0.241   3.785
  225    HB2  ALA  33           2HB      ALA  33  -3.395   1.140   3.960
  226    HB3  ALA  33           3HB      ALA  33  -3.228   0.344   2.394
  227    H    CYS  34           H        CYS  34  -1.701   0.649   0.624
  228    HA   CYS  34           HA       CYS  34  -2.702   3.161  -0.541
  229    HB2  CYS  34           2HB      CYS  34  -0.352   2.151  -1.248
  230    HB3  CYS  34           1HB      CYS  34  -1.358   1.096  -2.235
  231    H    CYS  35           H        CYS  35  -4.402   2.967  -2.023
  232    HA   CYS  35           HA       CYS  35  -5.713   0.336  -2.094
  233    HB2  CYS  35           2HB      CYS  35  -6.596   2.388  -0.514
  234    HB3  CYS  35           1HB      CYS  35  -7.511   2.665  -1.992
  235    H    ASN  36           H        ASN  36  -7.273   0.113  -3.870
  236    HA   ASN  36           HA       ASN  36  -7.041   2.006  -6.056
  237    HB2  ASN  36           2HB      ASN  36  -5.089   0.185  -6.031
  238    HB3  ASN  36           1HB      ASN  36  -6.340  -0.807  -6.775
  239   HD21  ASN  36          1HD2      ASN  36  -4.028  -0.176  -8.107
  240   HD22  ASN  36          2HD2      ASN  36  -4.404   0.889  -9.419
  241    H    SER  37           H        SER  37  -8.471   1.475  -7.841
  242    HA   SER  37           HA       SER  37 -11.025   0.673  -7.148
  243    HB2  SER  37           2HB      SER  37 -10.383   0.120  -9.937
  244    HB3  SER  37           1HB      SER  37 -11.465   1.336  -9.252
  245    HG   SER  37           HG       SER  37  -8.919   1.605 -10.184
  246    HA   PRO  38           HA       PRO  38 -11.102  -3.661  -6.671
  247    HB2  PRO  38           2HB      PRO  38 -13.408  -4.255  -8.125
  248    HB3  PRO  38           1HB      PRO  38 -13.351  -3.766  -6.428
  249    HG2  PRO  38           2HG      PRO  38 -13.908  -2.128  -8.858
  250    HG3  PRO  38           1HG      PRO  38 -14.639  -2.035  -7.244
  251    HD2  PRO  38           2HD      PRO  38 -12.813  -0.255  -8.039
  252    HD3  PRO  38           1HD      PRO  38 -12.842  -0.853  -6.365
  253    H    ALA  39           H        ALA  39 -11.647  -2.503  -9.990
  254    HA   ALA  39           HA       ALA  39 -11.215  -5.051 -11.185
  255    HB1  ALA  39           1HB      ALA  39 -10.970  -2.374 -12.534
  256    HB2  ALA  39           2HB      ALA  39 -11.333  -3.931 -13.279
  257    HB3  ALA  39           3HB      ALA  39 -12.510  -3.169 -12.210
  258    H    GLU  40           H        GLU  40  -9.111  -2.774  -9.869
  259    HA   GLU  40           HA       GLU  40  -6.846  -3.700 -11.489
  260    HB2  GLU  40           2HB      GLU  40  -7.216  -1.303  -9.693
  261    HB3  GLU  40           1HB      GLU  40  -5.630  -1.811 -10.254
  262    HG2  GLU  40           2HG      GLU  40  -6.046  -0.363 -11.909
  263    HG3  GLU  40           1HG      GLU  40  -6.919  -1.729 -12.599
  264    H    THR  41           H        THR  41  -7.792  -3.070  -8.150
  265    HA   THR  41           HA       THR  41  -5.662  -4.328  -6.852
  266    HB   THR  41           HB       THR  41  -8.531  -4.190  -5.895
  267    HG1  THR  41           1HG      THR  41  -8.261  -2.105  -5.680
  268   HG21  THR  41          3HG2      THR  41  -6.212  -3.817  -4.091
  269   HG22  THR  41          1HG2      THR  41  -6.548  -5.451  -4.655
  270   HG23  THR  41          2HG2      THR  41  -7.785  -4.549  -3.781
  271    H    ASN  42           H        ASN  42  -8.644  -5.574  -8.184
  272    HA   ASN  42           HA       ASN  42  -8.010  -8.276  -7.233
  273    HB2  ASN  42           2HB      ASN  42 -10.490  -6.790  -7.787
  274    HB3  ASN  42           1HB      ASN  42 -10.488  -8.479  -8.270
  275   HD21  ASN  42          1HD2      ASN  42  -9.542  -6.436  -5.563
  276   HD22  ASN  42          2HD2      ASN  42 -10.099  -7.506  -4.326
  277    H    ASN  43           H        ASN  43  -7.001  -6.686  -9.655
  278    HA   ASN  43           HA       ASN  43  -7.994  -7.764 -12.028
  279    HB2  ASN  43           2HB      ASN  43  -6.197  -5.899 -11.611
  280    HB3  ASN  43           1HB      ASN  43  -5.060  -7.237 -11.741
  281   HD21  ASN  43          1HD2      ASN  43  -7.665  -5.556 -13.420
  282   HD22  ASN  43          2HD2      ASN  43  -7.119  -5.948 -15.019
  283    H    ASP  44           H        ASP  44  -5.846  -9.125  -9.659
  284    HA   ASP  44           HA       ASP  44  -5.850 -11.635 -11.200
  285    HB2  ASP  44           2HB      ASP  44  -3.573 -10.631 -10.687
  286    HB3  ASP  44           1HB      ASP  44  -3.919 -10.932  -8.983
  287    H    SER  45           H        SER  45  -6.786 -13.373 -10.277
  288    HA   SER  45           HA       SER  45  -8.584 -12.954  -8.136
  289    HB2  SER  45           2HB      SER  45  -7.717 -15.584  -9.355
  290    HB3  SER  45           1HB      SER  45  -9.195 -15.285  -8.436
  291    HG   SER  45           HG       SER  45  -8.474 -14.239 -10.981
  292    H    LEU  46           H        LEU  46  -5.288 -14.037  -8.203
  293    HA   LEU  46           HA       LEU  46  -5.469 -15.155  -5.509
  294    HB2  LEU  46           2HB      LEU  46  -4.025 -16.131  -7.354
  295    HB3  LEU  46           1HB      LEU  46  -2.993 -14.724  -7.177
  296    HG   LEU  46           HG       LEU  46  -2.818 -15.430  -4.701
  297   HD11  LEU  46          1HD1      LEU  46  -4.640 -17.089  -4.804
  298   HD12  LEU  46          2HD1      LEU  46  -3.672 -18.051  -5.920
  299   HD13  LEU  46          3HD1      LEU  46  -3.115 -17.793  -4.271
  300   HD21  LEU  46          3HD2      LEU  46  -1.202 -17.390  -5.613
  301   HD22  LEU  46          1HD2      LEU  46  -1.477 -16.484  -7.100
  302   HD23  LEU  46          2HD2      LEU  46  -0.805 -15.671  -5.687
  303    H    LEU  47           H        LEU  47  -4.664 -12.260  -7.143
  304    HA   LEU  47           HA       LEU  47  -2.849 -11.084  -5.358
  305    HB2  LEU  47           2HB      LEU  47  -4.010 -10.410  -7.766
  306    HB3  LEU  47           1HB      LEU  47  -4.667  -9.208  -6.671
  307    HG   LEU  47           HG       LEU  47  -2.482  -8.402  -6.115
  308   HD11  LEU  47          1HD1      LEU  47  -1.543 -10.850  -6.307
  309   HD12  LEU  47          2HD1      LEU  47  -1.113 -10.326  -7.935
  310   HD13  LEU  47          3HD1      LEU  47  -0.488  -9.455  -6.534
  311   HD21  LEU  47          3HD2      LEU  47  -1.940  -7.386  -8.105
  312   HD22  LEU  47          1HD2      LEU  47  -2.215  -8.846  -9.054
  313   HD23  LEU  47          2HD2      LEU  47  -3.587  -7.929  -8.432
  314    H    SER  48           H        SER  48  -6.378 -11.139  -5.416
  315    HA   SER  48           HA       SER  48  -6.800  -9.098  -3.526
  316    HB2  SER  48           2HB      SER  48  -8.922 -10.983  -3.380
  317    HB3  SER  48           1HB      SER  48  -8.879  -9.447  -4.247
  318    HG   SER  48           HG       SER  48  -9.182 -10.856  -5.843
  319    H    GLY  49           H        GLY  49  -5.771 -12.363  -3.120
  320    HA2  GLY  49           1HA      GLY  49  -6.472 -12.339  -0.273
  321    HA3  GLY  49           2HA      GLY  49  -5.832 -13.711  -1.167
  322    H    LEU  50           H        LEU  50  -3.950 -11.390  -2.243
  323    HA   LEU  50           HA       LEU  50  -1.804 -12.114  -0.437
  324    HB2  LEU  50           2HB      LEU  50  -2.070 -11.224  -3.174
  325    HB3  LEU  50           1HB      LEU  50  -0.856 -10.283  -2.329
  326    HG   LEU  50           HG       LEU  50   0.215 -12.459  -1.650
  327   HD11  LEU  50          1HD1      LEU  50  -1.758 -13.547  -3.646
  328   HD12  LEU  50          2HD1      LEU  50  -0.338 -14.420  -3.069
  329   HD13  LEU  50          3HD1      LEU  50  -1.617 -13.972  -1.942
  330   HD21  LEU  50          3HD2      LEU  50   0.007 -11.799  -4.587
  331   HD22  LEU  50          1HD2      LEU  50   1.146 -11.112  -3.428
  332   HD23  LEU  50          2HD2      LEU  50   1.254 -12.817  -3.864
  333    H    LEU  51           H        LEU  51  -3.874  -9.412  -1.042
  334    HA   LEU  51           HA       LEU  51  -2.100  -7.454   0.097
  335    HB2  LEU  51           2HB      LEU  51  -4.316  -6.066   0.012
  336    HB3  LEU  51           1HB      LEU  51  -3.440  -6.450  -1.459
  337    HG   LEU  51           HG       LEU  51  -5.158  -8.573  -1.252
  338   HD11  LEU  51          1HD1      LEU  51  -7.289  -6.823  -0.979
  339   HD12  LEU  51          2HD1      LEU  51  -6.789  -8.068   0.169
  340   HD13  LEU  51          3HD1      LEU  51  -6.211  -6.413   0.357
  341   HD21  LEU  51          3HD2      LEU  51  -6.292  -6.276  -2.664
  342   HD22  LEU  51          1HD2      LEU  51  -4.595  -6.579  -3.037
  343   HD23  LEU  51          2HD2      LEU  51  -5.792  -7.852  -3.278
  344    H    GLY  52           H        GLY  52  -4.143  -9.760   1.397
  345    HA2  GLY  52           1HA      GLY  52  -4.263  -8.276   3.941
  346    HA3  GLY  52           2HA      GLY  52  -5.620  -9.236   3.372
  347    H    ALA  53           H        ALA  53  -2.440  -9.298   4.756
  348    HA   ALA  53           HA       ALA  53  -2.180 -12.153   4.695
  349    HB1  ALA  53           1HB      ALA  53  -0.104 -11.833   5.815
  350    HB2  ALA  53           2HB      ALA  53  -0.261 -10.500   4.670
  351    HB3  ALA  53           3HB      ALA  53  -0.581 -10.232   6.384
  352    H    GLY  54           H        GLY  54  -4.315 -12.507   5.677
  353    HA2  GLY  54           1HA      GLY  54  -4.251 -13.636   8.133
  354    HA3  GLY  54           2HA      GLY  54  -4.638 -11.958   8.499
  355    H    LEU  55           H        LEU  55  -6.496 -11.052   7.164
  356    HA   LEU  55           HA       LEU  55  -8.512 -13.091   6.534
  357    HB2  LEU  55           2HB      LEU  55  -9.107 -12.473   8.741
  358    HB3  LEU  55           1HB      LEU  55  -8.793 -10.776   8.434
  359    HG   LEU  55           HG       LEU  55 -10.775 -11.034   6.720
  360   HD11  LEU  55          1HD1      LEU  55 -12.425 -12.638   7.335
  361   HD12  LEU  55          2HD1      LEU  55 -10.911 -13.502   7.088
  362   HD13  LEU  55          3HD1      LEU  55 -11.478 -13.167   8.722
  363   HD21  LEU  55          3HD2      LEU  55 -12.174 -10.065   8.300
  364   HD22  LEU  55          1HD2      LEU  55 -11.511 -11.024   9.622
  365   HD23  LEU  55          2HD2      LEU  55 -10.562  -9.712   8.923
  366    H    LEU  56           H        LEU  56  -7.518  -9.727   6.388
  367    HA   LEU  56           HA       LEU  56  -7.583  -8.154   4.798
  368    HB2  LEU  56           2HB      LEU  56  -7.264  -8.736   2.671
  369    HB3  LEU  56           1HB      LEU  56  -7.185 -10.361   3.325
  370    HG   LEU  56           HG       LEU  56  -9.885 -10.032   2.810
  371   HD11  LEU  56          1HD1      LEU  56  -9.333  -9.395   0.201
  372   HD12  LEU  56          2HD1      LEU  56 -10.087  -8.325   1.384
  373   HD13  LEU  56          3HD1      LEU  56  -8.349  -8.240   1.101
  374   HD21  LEU  56          3HD2      LEU  56  -9.083 -11.322   0.610
  375   HD22  LEU  56          1HD2      LEU  56  -7.608 -11.447   1.565
  376   HD23  LEU  56          2HD2      LEU  56  -9.127 -12.076   2.202
  377    H    ASN  57           H        ASN  57  -8.878  -6.575   4.460
  378    HA   ASN  57           HA       ASN  57 -11.645  -7.023   3.698
  379    HB2  ASN  57           2HB      ASN  57 -11.211  -6.458   6.267
  380    HB3  ASN  57           1HB      ASN  57 -11.070  -4.820   5.632
  381   HD21  ASN  57          1HD2      ASN  57 -13.075  -5.971   7.389
  382   HD22  ASN  57          2HD2      ASN  57 -14.588  -5.746   6.603
  383    H    GLY  58           H        GLY  58 -12.486  -4.558   3.298
  384    HA2  GLY  58           1HA      GLY  58 -10.418  -3.416   1.510
  385    HA3  GLY  58           2HA      GLY  58 -12.135  -3.454   1.120
  386    H    LEU  59           H        LEU  59 -12.291  -1.227   0.874
  387    HA   LEU  59           HA       LEU  59 -11.619   0.654   2.863
  388    HB2  LEU  59           2HB      LEU  59 -12.797   0.669   0.312
  389    HB3  LEU  59           1HB      LEU  59 -13.995   1.372   1.376
  390    HG   LEU  59           HG       LEU  59 -11.588   2.635   2.039
  391   HD11  LEU  59          1HD1      LEU  59 -11.101   1.590  -0.381
  392   HD12  LEU  59          2HD1      LEU  59 -11.883   3.102  -0.852
  393   HD13  LEU  59          3HD1      LEU  59 -10.442   3.134   0.166
  394   HD21  LEU  59          3HD2      LEU  59 -14.204   3.269   1.454
  395   HD22  LEU  59          1HD2      LEU  59 -12.934   4.398   1.919
  396   HD23  LEU  59          2HD2      LEU  59 -13.280   4.113   0.215
  397    H    SER  60           H        SER  60 -13.079   1.752   4.332
  398    HA   SER  60           HA       SER  60 -14.528   0.116   5.989
  399    HB2  SER  60           2HB      SER  60 -15.090   3.060   5.624
  400    HB3  SER  60           1HB      SER  60 -15.292   2.100   7.086
  401    HG   SER  60           HG       SER  60 -13.371   2.867   7.495
  402    H    GLY  61           H        GLY  61 -16.107  -1.187   5.237
  403    HA2  GLY  61           1HA      GLY  61 -18.280  -1.749   4.695
  404    HA3  GLY  61           2HA      GLY  61 -18.660  -0.036   4.624
  405    H    ASN  62           H        ASN  62 -16.008  -1.117   2.743
  406    HA   ASN  62           HA       ASN  62 -17.652  -0.939   0.301
  407    HB2  ASN  62           2HB      ASN  62 -15.801   0.894   1.124
  408    HB3  ASN  62           1HB      ASN  62 -14.829  -0.149   0.095
  409   HD21  ASN  62          1HD2      ASN  62 -14.626   1.826  -1.135
  410   HD22  ASN  62          2HD2      ASN  62 -15.834   2.208  -2.303
  411    H    THR  63           H        THR  63 -17.786  -3.159  -0.048
  412    HA   THR  63           HA       THR  63 -15.428  -4.805  -0.015
  413    HB   THR  63           HB       THR  63 -17.500  -6.113  -1.430
  414    HG1  THR  63           1HG      THR  63 -18.867  -5.581   0.804
  415   HG21  THR  63          3HG2      THR  63 -15.787  -6.884   0.360
  416   HG22  THR  63          1HG2      THR  63 -17.372  -7.657   0.318
  417   HG23  THR  63          2HG2      THR  63 -17.030  -6.410   1.521
  418    H    GLY  64           H        GLY  64 -13.974  -4.183  -1.525
  419    HA2  GLY  64           1HA      GLY  64 -13.895  -5.185  -4.017
  420    HA3  GLY  64           2HA      GLY  64 -14.764  -3.676  -4.269
  421    H    SER  65           H        SER  65 -13.613  -1.841  -2.849
  422    HA   SER  65           HA       SER  65 -10.946  -1.593  -3.903
  423    HB2  SER  65           2HB      SER  65 -11.668   0.474  -2.020
  424    HB3  SER  65           1HB      SER  65 -11.427   0.596  -3.763
  425    HG   SER  65           HG       SER  65 -13.519   0.526  -4.071
  426    H    ALA  66           H        ALA  66  -9.931  -3.327  -2.772
  427    HA   ALA  66           HA       ALA  66  -9.636  -3.067   0.109
  428    HB1  ALA  66           1HB      ALA  66  -8.151  -5.061  -1.552
  429    HB2  ALA  66           2HB      ALA  66  -8.736  -5.199   0.108
  430    HB3  ALA  66           3HB      ALA  66  -9.875  -5.275  -1.238
  431    H    CYS  67           H        CYS  67  -7.543  -2.831   1.109
  432    HA   CYS  67           HA       CYS  67  -5.633  -1.446  -0.653
  433    HB2  CYS  67           2HB      CYS  67  -5.892  -0.540   2.173
  434    HB3  CYS  67           1HB      CYS  67  -5.448   0.372   0.737
  435    H    ALA  68           H        ALA  68  -3.526  -1.886  -0.398
  436    HA   ALA  68           HA       ALA  68  -2.800  -3.873   1.649
  437    HB1  ALA  68           1HB      ALA  68  -0.772  -3.485  -0.354
  438    HB2  ALA  68           2HB      ALA  68  -1.663  -4.949   0.071
  439    HB3  ALA  68           3HB      ALA  68  -2.330  -3.824  -1.111
  440    H    LYS  69           H        LYS  69  -1.079  -3.512   2.990
  441    HA   LYS  69           HA       LYS  69  -0.387  -0.690   3.287
  442    HB2  LYS  69           2HB      LYS  69   0.607  -2.046   5.498
  443    HB3  LYS  69           1HB      LYS  69  -0.905  -1.155   5.421
  444    HG2  LYS  69           2HG      LYS  69  -0.919  -3.981   4.499
  445    HG3  LYS  69           1HG      LYS  69  -0.798  -3.673   6.233
  446    HD2  LYS  69           2HD      LYS  69  -2.918  -2.921   6.372
  447    HD3  LYS  69           1HD      LYS  69  -2.834  -2.094   4.818
  448    HE2  LYS  69           2HE      LYS  69  -3.639  -3.875   3.679
  449    HE3  LYS  69           1HE      LYS  69  -2.803  -5.039   4.706
  450    HZ1  LYS  69           3HZ      LYS  69  -4.935  -5.417   5.345
  451    HZ2  LYS  69           1HZ      LYS  69  -5.451  -3.835   5.032
  452    HZ3  LYS  69           2HZ      LYS  69  -4.568  -4.178   6.437
  453    H    ALA  70           H        ALA  70   1.845  -0.260   4.206
  454    HA   ALA  70           HA       ALA  70   3.799  -1.069   2.354
  455    HB1  ALA  70           1HB      ALA  70   3.698   0.605   4.747
  456    HB2  ALA  70           2HB      ALA  70   5.267  -0.158   4.479
  457    HB3  ALA  70           3HB      ALA  70   4.549   0.851   3.222
  458    H    SER  71           H        SER  71   2.939  -2.292   5.528
  459    HA   SER  71           HA       SER  71   5.154  -4.007   5.885
  460    HB2  SER  71           2HB      SER  71   2.894  -5.153   7.132
  461    HB3  SER  71           1HB      SER  71   4.117  -4.123   7.876
  462    HG   SER  71           HG       SER  71   2.427  -2.874   8.177
  463    H    LEU  72           H        LEU  72   2.175  -4.252   4.112
  464    HA   LEU  72           HA       LEU  72   2.371  -7.085   3.635
  465    HB2  LEU  72           2HB      LEU  72   0.386  -5.098   3.366
  466    HB3  LEU  72           1HB      LEU  72   0.673  -5.730   1.756
  467    HG   LEU  72           HG       LEU  72  -0.998  -7.118   2.470
  468   HD11  LEU  72          1HD1      LEU  72   0.553  -8.701   1.829
  469   HD12  LEU  72          2HD1      LEU  72   1.619  -8.359   3.190
  470   HD13  LEU  72          3HD1      LEU  72   0.117  -9.244   3.448
  471   HD21  LEU  72          3HD2      LEU  72  -1.121  -6.123   4.718
  472   HD22  LEU  72          1HD2      LEU  72  -1.337  -7.875   4.730
  473   HD23  LEU  72          2HD2      LEU  72   0.202  -7.175   5.227
  474    H    ILE  73           H        ILE  73   3.574  -4.211   2.203
  475    HA   ILE  73           HA       ILE  73   3.900  -5.132  -0.440
  476    HB   ILE  73           HB       ILE  73   4.738  -2.812   1.117
  477   HG12  ILE  73          2HG1      ILE  73   4.638  -2.182  -1.599
  478   HG13  ILE  73          1HG1      ILE  73   3.460  -3.474  -1.397
  479   HG21  ILE  73          1HG2      ILE  73   6.946  -2.965   0.705
  480   HG22  ILE  73          2HG2      ILE  73   6.735  -4.100  -0.627
  481   HG23  ILE  73          3HG2      ILE  73   6.483  -2.373  -0.892
  482   HD11  ILE  73          3HD1      ILE  73   2.048  -1.881  -0.774
  483   HD12  ILE  73          1HD1      ILE  73   2.958  -1.804   0.735
  484   HD13  ILE  73          2HD1      ILE  73   3.342  -0.700  -0.585
  485    H    ASP  74           H        ASP  74   5.997  -5.246   2.417
  486    HA   ASP  74           HA       ASP  74   8.020  -6.714   0.925
  487    HB2  ASP  74           2HB      ASP  74   8.320  -4.929   2.903
  488    HB3  ASP  74           1HB      ASP  74   8.251  -6.399   3.871
  489    H    GLN  75           H        GLN  75   5.181  -7.481   2.294
  490    HA   GLN  75           HA       GLN  75   6.050 -10.032   3.415
  491    HB2  GLN  75           2HB      GLN  75   4.036  -8.297   4.126
  492    HB3  GLN  75           1HB      GLN  75   3.167  -9.546   3.243
  493    HG2  GLN  75           2HG      GLN  75   3.104 -10.257   5.442
  494    HG3  GLN  75           1HG      GLN  75   4.410 -11.201   4.728
  495   HE21  GLN  75          1HE2      GLN  75   5.551  -8.134   4.979
  496   HE22  GLN  75          2HE2      GLN  75   6.334  -8.250   6.512
  497    H    LEU  76           H        LEU  76   3.788  -8.811   0.952
  498    HA   LEU  76           HA       LEU  76   3.988 -11.440  -0.362
  499    HB2  LEU  76           2HB      LEU  76   1.653  -9.733   0.256
  500    HB3  LEU  76           1HB      LEU  76   1.652 -10.484  -1.330
  501    HG   LEU  76           HG       LEU  76   0.454 -11.981   0.025
  502   HD11  LEU  76          1HD1      LEU  76   3.270 -12.788  -0.457
  503   HD12  LEU  76          2HD1      LEU  76   2.260 -13.852   0.516
  504   HD13  LEU  76          3HD1      LEU  76   1.777 -13.437  -1.128
  505   HD21  LEU  76          3HD2      LEU  76   0.587 -11.869   2.236
  506   HD22  LEU  76          1HD2      LEU  76   2.169 -12.645   2.171
  507   HD23  LEU  76          2HD2      LEU  76   2.048 -10.886   2.117
  508    H    GLY  77           H        GLY  77   3.455  -7.955  -0.981
  509    HA2  GLY  77           1HA      GLY  77   4.851  -6.820  -2.577
  510    HA3  GLY  77           2HA      GLY  77   5.050  -8.344  -3.431
  511    H    LEU  78           H        LEU  78   2.222  -6.444  -2.377
  512    HA   LEU  78           HA       LEU  78   0.659  -7.121  -4.624
  513    HB2  LEU  78           2HB      LEU  78   0.442  -5.015  -2.501
  514    HB3  LEU  78           1HB      LEU  78  -0.685  -5.041  -3.843
  515    HG   LEU  78           HG       LEU  78  -1.698  -6.152  -1.988
  516   HD11  LEU  78          1HD1      LEU  78  -1.838  -7.146  -4.355
  517   HD12  LEU  78          2HD1      LEU  78  -0.781  -8.409  -3.734
  518   HD13  LEU  78          3HD1      LEU  78  -2.363  -8.148  -3.000
  519   HD21  LEU  78          3HD2      LEU  78  -0.717  -7.802  -0.681
  520   HD22  LEU  78          1HD2      LEU  78   0.496  -8.182  -1.901
  521   HD23  LEU  78          2HD2      LEU  78   0.615  -6.685  -0.977
  522    H    LEU  79           H        LEU  79   1.744  -6.679  -6.532
  523    HA   LEU  79           HA       LEU  79   2.906  -4.142  -7.074
  524    HB2  LEU  79           2HB      LEU  79   3.049  -5.025  -9.425
  525    HB3  LEU  79           1HB      LEU  79   3.835  -5.999  -8.195
  526    HG   LEU  79           HG       LEU  79   1.135  -6.918  -8.553
  527   HD11  LEU  79          1HD1      LEU  79   2.670  -6.301 -11.017
  528   HD12  LEU  79          2HD1      LEU  79   1.807  -7.836 -10.942
  529   HD13  LEU  79          3HD1      LEU  79   0.928  -6.321 -10.741
  530   HD21  LEU  79          3HD2      LEU  79   2.592  -8.465  -7.678
  531   HD22  LEU  79          1HD2      LEU  79   2.559  -8.957  -9.370
  532   HD23  LEU  79          2HD2      LEU  79   3.906  -8.000  -8.758
  533    H    ALA  80           H        ALA  80  -0.302  -5.201  -7.090
  534    HA   ALA  80           HA       ALA  80  -1.220  -3.429  -9.189
  535    HB1  ALA  80           1HB      ALA  80  -2.278  -5.689  -7.929
  536    HB2  ALA  80           2HB      ALA  80  -3.322  -4.351  -7.442
  537    HB3  ALA  80           3HB      ALA  80  -3.055  -4.684  -9.153
  538    H    LEU  81           H        LEU  81  -0.412  -3.166  -5.921
  539    HA   LEU  81           HA       LEU  81  -2.184  -0.856  -5.565
  540    HB2  LEU  81           2HB      LEU  81  -1.521  -3.044  -3.880
  541    HB3  LEU  81           1HB      LEU  81  -0.888  -1.589  -3.139
  542    HG   LEU  81           HG       LEU  81  -2.904  -1.090  -2.353
  543   HD11  LEU  81          1HD1      LEU  81  -3.868  -1.299  -5.194
  544   HD12  LEU  81          2HD1      LEU  81  -4.786  -0.614  -3.852
  545   HD13  LEU  81          3HD1      LEU  81  -3.287   0.154  -4.378
  546   HD21  LEU  81          3HD2      LEU  81  -3.526  -3.263  -1.970
  547   HD22  LEU  81          1HD2      LEU  81  -4.846  -2.716  -3.004
  548   HD23  LEU  81          2HD2      LEU  81  -3.534  -3.681  -3.685
  549    H    VAL  82           H        VAL  82   1.046  -1.744  -6.038
  550    HA   VAL  82           HA       VAL  82   1.926   0.860  -5.007
  551    HB   VAL  82           HB       VAL  82   2.873  -1.417  -4.058
  552   HG11  VAL  82          1HG1      VAL  82   3.600  -2.090  -6.425
  553   HG12  VAL  82          2HG1      VAL  82   4.933  -0.960  -6.178
  554   HG13  VAL  82          3HG1      VAL  82   4.730  -2.336  -5.096
  555   HG21  VAL  82          3HG2      VAL  82   3.610   1.183  -3.908
  556   HG22  VAL  82          1HG2      VAL  82   4.379  -0.132  -3.018
  557   HG23  VAL  82          2HG2      VAL  82   5.086   0.442  -4.530
  558    H    ASP  83           H        ASP  83   2.965   2.244  -6.316
  559    HA   ASP  83           HA       ASP  83   3.522   1.346  -9.070
  560    HB2  ASP  83           2HB      ASP  83   1.747   3.223  -8.538
  561    HB3  ASP  83           1HB      ASP  83   3.175   4.247  -8.412
  562    H    HIS  84           H        HIS  84   5.263   3.147 -10.038
  563    HA   HIS  84           HA       HIS  84   7.427   3.135  -8.056
  564    HB2  HIS  84           2HB      HIS  84   7.224   1.418 -10.410
  565    HB3  HIS  84           1HB      HIS  84   8.746   2.299 -10.308
  566    HD1  HIS  84           1HD      HIS  84   6.609  -0.060  -8.269
  567    HD2  HIS  84           2HD      HIS  84  10.529   1.308  -8.495
  568    HE1  HIS  84           1HE      HIS  84   7.884  -1.373  -6.556
  569    HE2  HIS  84           2HE      HIS  84  10.303  -0.736  -6.920
  570    H    THR  85           H        THR  85   8.412   4.966  -7.975
  571    HA   THR  85           HA       THR  85   8.816   6.507 -10.452
  572    HB   THR  85           HB       THR  85   9.370   8.323  -8.543
  573    HG1  THR  85           1HG      THR  85   8.761   7.414  -6.699
  574   HG21  THR  85          3HG2      THR  85   6.892   8.999  -8.768
  575   HG22  THR  85          1HG2      THR  85   6.749   7.585  -9.815
  576   HG23  THR  85          2HG2      THR  85   7.858   8.890 -10.243
  577    H    GLU  86           H        GLU  86  10.878   8.138  -9.605
  578    HA   GLU  86           HA       GLU  86  13.084   6.313  -9.694
  579    HB2  GLU  86           2HB      GLU  86  13.829   9.027  -9.003
  580    HB3  GLU  86           1HB      GLU  86  14.250   8.073 -10.416
  581    HG2  GLU  86           2HG      GLU  86  12.050   8.674 -11.398
  582    HG3  GLU  86           1HG      GLU  86  11.788   9.755 -10.028
  583    H    GLU  87           H        GLU  87  11.460   8.138  -7.239
  584    HA   GLU  87           HA       GLU  87  13.512   7.918  -5.264
  585    HB2  GLU  87           2HB      GLU  87  10.583   8.614  -5.021
  586    HB3  GLU  87           1HB      GLU  87  11.766   8.770  -3.726
  587    HG2  GLU  87           2HG      GLU  87  11.853  10.886  -4.465
  588    HG3  GLU  87           1HG      GLU  87  13.003  10.203  -5.613
  589    H    GLY  88           H        GLY  88  11.177   5.743  -6.448
  590    HA2  GLY  88           1HA      GLY  88  11.757   3.454  -5.448
  591    HA3  GLY  88           2HA      GLY  88  11.254   4.217  -3.941
  592    HA   PRO  89           HA       PRO  89   7.438   2.297  -5.742
  593    HB2  PRO  89           2HB      PRO  89   6.778   0.847  -3.554
  594    HB3  PRO  89           1HB      PRO  89   7.856   0.232  -4.811
  595    HG2  PRO  89           2HG      PRO  89   8.518   1.376  -2.136
  596    HG3  PRO  89           1HG      PRO  89   9.253   0.005  -2.987
  597    HD2  PRO  89           2HD      PRO  89  10.359   2.510  -2.893
  598    HD3  PRO  89           1HD      PRO  89  10.648   1.346  -4.199
  599    H    VAL  90           H        VAL  90   5.732   3.546  -5.627
  600    HA   VAL  90           HA       VAL  90   5.157   4.988  -3.121
  601    HB   VAL  90           HB       VAL  90   4.170   6.726  -4.801
  602   HG11  VAL  90          1HG1      VAL  90   5.867   7.459  -3.395
  603   HG12  VAL  90          2HG1      VAL  90   7.042   6.316  -4.052
  604   HG13  VAL  90          3HG1      VAL  90   6.550   7.720  -5.004
  605   HG21  VAL  90          3HG2      VAL  90   4.407   6.055  -6.935
  606   HG22  VAL  90          1HG2      VAL  90   6.074   6.602  -6.756
  607   HG23  VAL  90          2HG2      VAL  90   5.678   4.895  -6.534
  608    H    CYS  91           H        CYS  91   2.808   6.065  -3.501
  609    HA   CYS  91           HA       CYS  91   0.990   3.877  -3.591
  610    HB2  CYS  91           2HB      CYS  91   0.946   6.468  -2.567
  611    HB3  CYS  91           1HB      CYS  91  -0.270   6.485  -3.839
  612    H    LYS  92           H        LYS  92  -0.198   3.124  -5.244
  613    HA   LYS  92           HA       LYS  92   0.456   4.089  -7.871
  614    HB2  LYS  92           2HB      LYS  92   0.180   1.650  -7.197
  615    HB3  LYS  92           1HB      LYS  92  -1.554   1.950  -7.203
  616    HG2  LYS  92           2HG      LYS  92  -1.665   2.067  -9.463
  617    HG3  LYS  92           1HG      LYS  92  -0.042   2.743  -9.620
  618    HD2  LYS  92           2HD      LYS  92   0.925   0.560  -9.141
  619    HD3  LYS  92           1HD      LYS  92  -0.692  -0.113  -8.938
  620    HE2  LYS  92           2HE      LYS  92  -0.463  -0.681 -11.105
  621    HE3  LYS  92           1HE      LYS  92  -0.920   0.997 -11.391
  622    HZ1  LYS  92           3HZ      LYS  92   1.433   1.575 -11.487
  623    HZ2  LYS  92           1HZ      LYS  92   1.037   0.403 -12.650
  624    HZ3  LYS  92           2HZ      LYS  92   1.855  -0.052 -11.239
  625    H    ASN  93           H        ASN  93  -2.193   4.493  -5.661
  626    HA   ASN  93           HA       ASN  93  -3.615   6.107  -7.598
  627    HB2  ASN  93           2HB      ASN  93  -4.303   3.340  -7.207
  628    HB3  ASN  93           1HB      ASN  93  -5.626   4.364  -6.662
  629   HD21  ASN  93          1HD2      ASN  93  -3.476   3.757  -9.398
  630   HD22  ASN  93          2HD2      ASN  93  -4.604   4.237 -10.613
  631    H    ILE  94           H        ILE  94  -5.124   4.361  -4.947
  632    HA   ILE  94           HA       ILE  94  -5.952   6.943  -3.848
  633    HB   ILE  94           HB       ILE  94  -7.027   4.142  -3.482
  634   HG12  ILE  94          2HG1      ILE  94  -8.801   6.257  -4.463
  635   HG13  ILE  94          1HG1      ILE  94  -7.426   5.952  -5.520
  636   HG21  ILE  94          1HG2      ILE  94  -7.952   6.703  -2.195
  637   HG22  ILE  94          2HG2      ILE  94  -8.899   5.216  -2.246
  638   HG23  ILE  94          3HG2      ILE  94  -7.357   5.250  -1.389
  639   HD11  ILE  94          3HD1      ILE  94  -9.771   4.602  -5.591
  640   HD12  ILE  94          1HD1      ILE  94  -8.233   3.987  -6.199
  641   HD13  ILE  94          2HD1      ILE  94  -8.787   3.535  -4.585
  642    H    VAL  95           H        VAL  95  -5.543   7.578  -1.779
  643    HA   VAL  95           HA       VAL  95  -3.580   5.955  -0.292
  644    HB   VAL  95           HB       VAL  95  -4.277   8.859   0.163
  645   HG11  VAL  95          1HG1      VAL  95  -1.854   8.687   1.130
  646   HG12  VAL  95          2HG1      VAL  95  -3.239   8.176   2.095
  647   HG13  VAL  95          3HG1      VAL  95  -2.251   6.974   1.267
  648   HG21  VAL  95          3HG2      VAL  95  -3.378   8.880  -1.987
  649   HG22  VAL  95          1HG2      VAL  95  -1.990   9.202  -0.948
  650   HG23  VAL  95          2HG2      VAL  95  -2.234   7.587  -1.621
  651    H    ALA  96           H        ALA  96  -4.187   4.934   1.496
  652    HA   ALA  96           HA       ALA  96  -6.381   5.971   3.107
  653    HB1  ALA  96           1HB      ALA  96  -7.538   4.549   1.539
  654    HB2  ALA  96           2HB      ALA  96  -6.418   3.224   1.854
  655    HB3  ALA  96           3HB      ALA  96  -7.519   3.768   3.121
  656    H    CYS  97           H        CYS  97  -6.507   4.955   5.221
  657    HA   CYS  97           HA       CYS  97  -3.939   3.755   5.994
  658    HB2  CYS  97           2HB      CYS  97  -5.620   4.543   8.226
  659    HB3  CYS  97           1HB      CYS  97  -3.963   5.006   7.848
  660    H    CYS  98           H        CYS  98  -3.878   1.704   6.664
  661    HA   CYS  98           HA       CYS  98  -6.420   0.331   7.189
  662    HB2  CYS  98           2HB      CYS  98  -5.661   0.200   4.742
  663    HB3  CYS  98           1HB      CYS  98  -4.341  -0.807   5.325
  664    HA   PRO  99           HA       PRO  99  -3.935  -1.589  10.386
  665    HB2  PRO  99           2HB      PRO  99  -5.742  -3.553  11.000
  666    HB3  PRO  99           1HB      PRO  99  -5.870  -1.891  11.585
  667    HG2  PRO  99           2HG      PRO  99  -7.262  -3.194   9.276
  668    HG3  PRO  99           1HG      PRO  99  -7.920  -2.098  10.508
  669    HD2  PRO  99           2HD      PRO  99  -7.277  -1.227   8.047
  670    HD3  PRO  99           1HD      PRO  99  -7.045  -0.215   9.486
  671    H    GLU 100           H        GLU 100  -3.322  -3.953  10.887
  672    HA   GLU 100           HA       GLU 100  -1.696  -4.767   8.826
  673    HB2  GLU 100           2HB      GLU 100  -2.279  -5.622  11.484
  674    HB3  GLU 100           1HB      GLU 100  -2.146  -7.038  10.449
  675    HG2  GLU 100           2HG      GLU 100   0.055  -6.569   9.879
  676    HG3  GLU 100           1HG      GLU 100  -0.068  -4.889  10.404
  677    H    GLY 101           H        GLY 101  -4.062  -7.140  10.043
  678    HA2  GLY 101           1HA      GLY 101  -4.564  -7.844   7.216
  679    HA3  GLY 101           2HA      GLY 101  -4.190  -9.064   8.421
  680    H    THR 102           H        THR 102  -6.049  -6.765   9.907
  681    HA   THR 102           HA       THR 102  -8.505  -8.280   9.344
  682    HB   THR 102           HB       THR 102  -8.231  -7.267  12.085
  683    HG1  THR 102           1HG      THR 102  -6.629  -8.643  12.712
  684   HG21  THR 102          3HG2      THR 102  -8.695 -10.016  12.075
  685   HG22  THR 102          1HG2      THR 102  -9.517  -9.415  10.636
  686   HG23  THR 102          2HG2      THR 102  -9.903  -8.741  12.218
  687    H    THR 103           H        THR 103 -10.378  -7.159   9.274
  688    HA   THR 103           HA       THR 103 -11.890  -5.484   9.360
  689    HB   THR 103           HB       THR 103  -9.902  -3.815  10.914
  690    HG1  THR 103           1HG      THR 103 -10.602  -4.873  12.750
  691   HG21  THR 103          3HG2      THR 103 -11.857  -2.565  10.263
  692   HG22  THR 103          1HG2      THR 103 -12.001  -2.952  11.977
  693   HG23  THR 103          2HG2      THR 103 -12.923  -3.867  10.787
  694    H    ASN 104           H        ASN 104 -12.382  -3.401   8.486
  695    HA   ASN 104           HA       ASN 104 -11.082  -3.080   5.973
  696    HB2  ASN 104           2HB      ASN 104 -12.804  -1.079   5.895
  697    HB3  ASN 104           1HB      ASN 104 -13.352  -2.748   5.770
  698   HD21  ASN 104          1HD2      ASN 104 -13.225   0.085   7.772
  699   HD22  ASN 104          2HD2      ASN 104 -14.359  -0.460   8.960
  700    H    CYS 105           H        CYS 105 -10.637  -0.864   5.118
  701    HA   CYS 105           HA       CYS 105  -9.013   0.624   7.072
  702    HB2  CYS 105           2HB      CYS 105  -8.460   1.072   4.227
  703    HB3  CYS 105           1HB      CYS 105  -7.351   0.714   5.547
  704    H    VAL 106           H        VAL 106  -9.241   2.797   7.226
  705    HA   VAL 106           HA       VAL 106 -11.469   4.072   5.923
  706    HB   VAL 106           HB       VAL 106 -11.293   5.767   7.465
  707   HG11  VAL 106          1HG1      VAL 106 -11.356   4.691   9.420
  708   HG12  VAL 106          2HG1      VAL 106 -10.966   3.250   8.478
  709   HG13  VAL 106          3HG1      VAL 106  -9.681   4.153   9.283
  710   HG21  VAL 106          3HG2      VAL 106  -9.068   6.256   8.667
  711   HG22  VAL 106          1HG2      VAL 106  -8.330   5.332   7.358
  712   HG23  VAL 106          2HG2      VAL 106  -9.255   6.789   6.997
  713    H    ALA 107           H        ALA 107 -11.339   5.803   4.476
  714    HA   ALA 107           HA       ALA 107  -8.687   6.220   3.269
  715    HB1  ALA 107           1HB      ALA 107 -10.932   6.687   1.475
  716    HB2  ALA 107           2HB      ALA 107  -9.463   5.742   1.227
  717    HB3  ALA 107           3HB      ALA 107 -10.845   5.021   2.051
  718    H    VAL 108           H        VAL 108  -8.027   8.224   3.659
  719    HA   VAL 108           HA       VAL 108  -9.936  10.343   4.137
  720    HB   VAL 108           HB       VAL 108  -7.381  11.490   3.988
  721   HG11  VAL 108          1HG1      VAL 108  -7.702  11.990   6.260
  722   HG12  VAL 108          2HG1      VAL 108  -9.327  11.890   5.578
  723   HG13  VAL 108          3HG1      VAL 108  -8.684  10.547   6.525
  724   HG21  VAL 108          3HG2      VAL 108  -6.789   9.523   5.973
  725   HG22  VAL 108          1HG2      VAL 108  -7.091   8.723   4.429
  726   HG23  VAL 108          2HG2      VAL 108  -5.856   9.978   4.544
  727    H    ASP 109           H        ASP 109  -8.471   8.967   1.588
  728    HA   ASP 109           HA       ASP 109  -8.900  11.328  -0.106
  729    HB2  ASP 109           2HB      ASP 109  -6.663  10.943  -0.529
  730    HB3  ASP 109           1HB      ASP 109  -6.782   9.224  -0.167
  731    H    ASN 110           H        ASN 110 -10.277  11.095  -1.781
  732    HA   ASN 110           HA       ASN 110 -11.516   8.451  -2.105
  733    HB2  ASN 110           2HB      ASN 110 -13.562  10.036  -2.802
  734    HB3  ASN 110           1HB      ASN 110 -13.310   9.483  -1.154
  735   HD21  ASN 110          1HD2      ASN 110 -12.020  10.982   0.256
  736   HD22  ASN 110          2HD2      ASN 110 -12.278  12.683   0.043
  737    H    ALA 111           H        ALA 111  -9.589   8.630  -3.650
  738    HA   ALA 111           HA       ALA 111  -8.918   8.446  -5.800
  739    HB1  ALA 111           1HB      ALA 111 -11.678   9.188  -6.729
  740    HB2  ALA 111           2HB      ALA 111 -10.476   8.185  -7.537
  741    HB3  ALA 111           3HB      ALA 111 -11.298   7.583  -6.099
  742    H    GLY 112           H        GLY 112  -8.346  10.768  -4.533
  743    HA2  GLY 112           1HA      GLY 112  -8.348  12.633  -6.819
  744    HA3  GLY 112           2HA      GLY 112  -8.787  13.222  -5.223
  745    H    ALA 113           H        ALA 113  -6.456  10.789  -5.036
  746    HA   ALA 113           HA       ALA 113  -4.395  12.779  -4.477
  747    HB1  ALA 113           1HB      ALA 113  -5.006  10.081  -3.524
  748    HB2  ALA 113           2HB      ALA 113  -3.290  10.362  -3.828
  749    HB3  ALA 113           3HB      ALA 113  -4.173  11.412  -2.719
  750    H    GLY 114           H        GLY 114  -2.229  10.851  -4.874
  751    HA2  GLY 114           1HA      GLY 114  -2.171  10.285  -7.705
  752    HA3  GLY 114           2HA      GLY 114  -1.166  11.643  -7.218
  753    H    THR 115           H        THR 115   0.383   9.997  -8.247
  754    HA   THR 115           HA       THR 115   1.132   7.635  -6.950
  755    HB   THR 115           HB       THR 115   3.480   8.616  -8.043
  756    HG1  THR 115           1HG      THR 115   1.576   9.355  -9.953
  757   HG21  THR 115          3HG2      THR 115   2.868   7.254 -10.027
  758   HG22  THR 115          1HG2      THR 115   1.233   7.106  -9.390
  759   HG23  THR 115          2HG2      THR 115   2.591   6.411  -8.502
  760    H    LYS 116           H        LYS 116   2.886  10.735  -6.890
  761    HA   LYS 116           HA       LYS 116   3.309  10.511  -4.036
  762    HB2  LYS 116           2HB      LYS 116   5.845  10.970  -4.507
  763    HB3  LYS 116           1HB      LYS 116   5.234   9.323  -4.482
  764    HG2  LYS 116           2HG      LYS 116   5.604   9.008  -6.684
  765    HG3  LYS 116           1HG      LYS 116   5.202  10.675  -7.102
  766    HD2  LYS 116           2HD      LYS 116   7.697  10.101  -5.560
  767    HD3  LYS 116           1HD      LYS 116   7.665   9.813  -7.301
  768    HE2  LYS 116           2HE      LYS 116   6.545  12.262  -7.212
  769    HE3  LYS 116           1HE      LYS 116   7.592  12.350  -5.799
  770    HZ1  LYS 116           3HZ      LYS 116   8.366  11.902  -8.622
  771    HZ2  LYS 116           1HZ      LYS 116   9.418  11.549  -7.334
  772    HZ3  LYS 116           2HZ      LYS 116   8.866  13.136  -7.573
  773    H    ALA 117           H        ALA 117   3.812  12.442  -3.075
  774    HA   ALA 117           HA       ALA 117   3.293  14.809  -4.632
  775    HB1  ALA 117           1HB      ALA 117   3.043  15.924  -2.633
  776    HB2  ALA 117           2HB      ALA 117   2.609  14.280  -2.166
  777    HB3  ALA 117           3HB      ALA 117   4.216  14.911  -1.794
  778    H    GLU 118           H        GLU 118   4.746  16.120  -5.525
  779    HA   GLU 118           HA       GLU 118   7.580  15.587  -5.118
  780    HB2  GLU 118           2HB      GLU 118   6.190  17.475  -7.036
  781    HB3  GLU 118           1HB      GLU 118   7.913  17.131  -7.014
  782    HG2  GLU 118           2HG      GLU 118   6.361  14.704  -7.218
  783    HG3  GLU 118           1HG      GLU 118   5.968  15.842  -8.507
  Start of MODEL    5
    1    H1   SER   1           1H       SER   1  11.748 -14.243 -10.070
    2    H2   SER   1           2H       SER   1  10.533 -13.419  -9.217
    3    H3   SER   1           3H       SER   1  10.608 -15.110  -9.163
    4    HA   SER   1           HA       SER   1  12.937 -13.592  -8.278
    5    HB2  SER   1           2HB      SER   1  11.110 -14.185  -6.094
    6    HB3  SER   1           1HB      SER   1  11.954 -12.682  -6.472
    7    HG   SER   1           HG       SER   1   9.634 -12.522  -6.576
    8    H    LEU   2           H        LEU   2  14.189 -14.845  -6.808
    9    HA   LEU   2           HA       LEU   2  13.607 -17.716  -7.003
   10    HB2  LEU   2           2HB      LEU   2  15.948 -16.242  -7.434
   11    HB3  LEU   2           1HB      LEU   2  16.208 -17.084  -5.918
   12    HG   LEU   2           HG       LEU   2  15.123 -18.735  -8.112
   13   HD11  LEU   2          1HD1      LEU   2  17.318 -19.009  -9.160
   14   HD12  LEU   2          2HD1      LEU   2  16.700 -17.370  -9.359
   15   HD13  LEU   2          3HD1      LEU   2  17.954 -17.703  -8.164
   16   HD21  LEU   2          3HD2      LEU   2  17.154 -19.022  -5.919
   17   HD22  LEU   2          1HD2      LEU   2  15.619 -19.868  -6.121
   18   HD23  LEU   2          2HD2      LEU   2  16.975 -20.233  -7.189
   19    HA   PRO   3           HA       PRO   3  12.438 -17.398  -2.686
   20    HB2  PRO   3           2HB      PRO   3  11.757 -20.015  -2.401
   21    HB3  PRO   3           1HB      PRO   3  10.712 -18.832  -3.198
   22    HG2  PRO   3           2HG      PRO   3  12.582 -20.829  -4.413
   23    HG3  PRO   3           1HG      PRO   3  10.928 -20.408  -4.896
   24    HD2  PRO   3           2HD      PRO   3  13.090 -19.440  -6.181
   25    HD3  PRO   3           1HD      PRO   3  11.601 -18.493  -5.993
   26    H    ALA   4           H        ALA   4  13.204 -18.171  -0.683
   27    HA   ALA   4           HA       ALA   4  14.645 -19.016   0.845
   28    HB1  ALA   4           1HB      ALA   4  15.564 -21.056   0.559
   29    HB2  ALA   4           2HB      ALA   4  14.500 -21.075  -0.848
   30    HB3  ALA   4           3HB      ALA   4  16.208 -20.672  -1.037
   31    H    SER   5           H        SER   5  15.779 -17.634  -2.094
   32    HA   SER   5           HA       SER   5  18.430 -17.101  -1.047
   33    HB2  SER   5           2HB      SER   5  17.893 -15.592  -3.411
   34    HB3  SER   5           1HB      SER   5  18.941 -16.998  -3.223
   35    HG   SER   5           HG       SER   5  16.231 -16.885  -3.996
   36    H    ALA   6           H        ALA   6  15.872 -15.986   0.134
   37    HA   ALA   6           HA       ALA   6  15.043 -14.075   1.023
   38    HB1  ALA   6           1HB      ALA   6  17.413 -12.460   1.024
   39    HB2  ALA   6           2HB      ALA   6  16.576 -13.229   2.375
   40    HB3  ALA   6           3HB      ALA   6  17.802 -14.122   1.475
   41    H    ALA   7           H        ALA   7  13.810 -13.651  -0.889
   42    HA   ALA   7           HA       ALA   7  14.916 -11.741  -2.790
   43    HB1  ALA   7           1HB      ALA   7  13.308 -13.838  -3.200
   44    HB2  ALA   7           2HB      ALA   7  12.094 -12.569  -3.024
   45    HB3  ALA   7           3HB      ALA   7  13.346 -12.428  -4.258
   46    H    LYS   8           H        LYS   8  15.072 -10.135  -1.021
   47    HA   LYS   8           HA       LYS   8  12.626  -8.868  -0.162
   48    HB2  LYS   8           2HB      LYS   8  14.928  -9.008   1.080
   49    HB3  LYS   8           1HB      LYS   8  15.338  -7.614   0.089
   50    HG2  LYS   8           2HG      LYS   8  12.754  -7.385   1.427
   51    HG3  LYS   8           1HG      LYS   8  14.123  -7.527   2.532
   52    HD2  LYS   8           2HD      LYS   8  15.184  -5.737   0.924
   53    HD3  LYS   8           1HD      LYS   8  13.496  -5.401   0.538
   54    HE2  LYS   8           2HE      LYS   8  14.926  -5.130   3.156
   55    HE3  LYS   8           1HE      LYS   8  13.989  -3.925   2.275
   56    HZ1  LYS   8           3HZ      LYS   8  12.528  -4.511   3.905
   57    HZ2  LYS   8           1HZ      LYS   8  13.063  -6.118   3.986
   58    HZ3  LYS   8           2HZ      LYS   8  12.061  -5.616   2.709
   59    H    ASN   9           H        ASN   9  11.568  -8.109  -1.935
   60    HA   ASN   9           HA       ASN   9  12.988  -6.670  -4.004
   61    HB2  ASN   9           2HB      ASN   9  10.003  -7.031  -3.780
   62    HB3  ASN   9           1HB      ASN   9  10.940  -6.693  -5.231
   63   HD21  ASN   9          1HD2      ASN   9   9.578  -9.071  -3.273
   64   HD22  ASN   9          2HD2      ASN   9  10.254 -10.454  -4.055
   65    H    ALA  10           H        ALA  10  11.017  -5.911  -1.246
   66    HA   ALA  10           HA       ALA  10  10.250  -3.310  -2.232
   67    HB1  ALA  10           1HB      ALA  10   9.805  -3.762   0.595
   68    HB2  ALA  10           2HB      ALA  10   8.652  -3.399  -0.688
   69    HB3  ALA  10           3HB      ALA  10   9.169  -5.063  -0.408
   70    H    LYS  11           H        LYS  11  10.569  -1.376  -0.899
   71    HA   LYS  11           HA       LYS  11  13.142  -1.347   0.525
   72    HB2  LYS  11           2HB      LYS  11  12.171   0.526  -1.621
   73    HB3  LYS  11           1HB      LYS  11  13.413   1.001  -0.475
   74    HG2  LYS  11           2HG      LYS  11  14.981  -0.080  -1.610
   75    HG3  LYS  11           1HG      LYS  11  14.013  -1.553  -1.684
   76    HD2  LYS  11           2HD      LYS  11  12.672  -0.253  -3.501
   77    HD3  LYS  11           1HD      LYS  11  14.128   0.740  -3.594
   78    HE2  LYS  11           2HE      LYS  11  14.941  -0.778  -5.001
   79    HE3  LYS  11           1HE      LYS  11  15.093  -1.859  -3.617
   80    HZ1  LYS  11           3HZ      LYS  11  13.777  -2.575  -5.740
   81    HZ2  LYS  11           1HZ      LYS  11  12.514  -1.704  -5.019
   82    HZ3  LYS  11           2HZ      LYS  11  13.215  -3.009  -4.200
   83    H    LEU  12           H        LEU  12  10.638   1.014  -0.301
   84    HA   LEU  12           HA       LEU  12   9.195   2.254   0.909
   85    HB2  LEU  12           2HB      LEU  12   9.503  -0.014   2.539
   86    HB3  LEU  12           1HB      LEU  12   9.674   1.368   3.603
   87    HG   LEU  12           HG       LEU  12   7.350   0.547   3.483
   88   HD11  LEU  12          1HD1      LEU  12   6.553   2.934   2.396
   89   HD12  LEU  12          2HD1      LEU  12   7.056   2.685   4.070
   90   HD13  LEU  12          3HD1      LEU  12   8.218   3.262   2.877
   91   HD21  LEU  12          3HD2      LEU  12   7.648  -0.091   0.998
   92   HD22  LEU  12          1HD2      LEU  12   6.087   0.534   1.533
   93   HD23  LEU  12          2HD2      LEU  12   7.214   1.589   0.679
   94    H    ALA  13           H        ALA  13  12.343   1.720   2.412
   95    HA   ALA  13           HA       ALA  13  12.437   4.170   3.824
   96    HB1  ALA  13           1HB      ALA  13  14.790   3.732   4.095
   97    HB2  ALA  13           2HB      ALA  13  13.897   2.223   4.286
   98    HB3  ALA  13           3HB      ALA  13  14.758   2.554   2.782
   99    H    THR  14           H        THR  14  13.318   3.274   0.531
  100    HA   THR  14           HA       THR  14  14.616   5.770  -0.032
  101    HB   THR  14           HB       THR  14  13.782   4.356  -2.404
  102    HG1  THR  14           1HG      THR  14  15.387   2.538  -1.445
  103   HG21  THR  14          3HG2      THR  14  15.973   4.643  -2.997
  104   HG22  THR  14          1HG2      THR  14  16.577   4.273  -1.381
  105   HG23  THR  14          2HG2      THR  14  15.872   5.854  -1.718
  106    H    SER  15           H        SER  15  11.378   4.613  -0.105
  107    HA   SER  15           HA       SER  15  10.374   6.463  -2.044
  108    HB2  SER  15           2HB      SER  15   8.415   5.466  -0.131
  109    HB3  SER  15           1HB      SER  15   8.500   5.239  -1.877
  110    HG   SER  15           HG       SER  15   8.740   3.317  -0.463
  111    H    ALA  16           H        ALA  16  11.590   8.274  -0.914
  112    HA   ALA  16           HA       ALA  16  10.654   9.359   1.521
  113    HB1  ALA  16           1HB      ALA  16  12.789  10.044   0.767
  114    HB2  ALA  16           2HB      ALA  16  12.154  10.567  -0.791
  115    HB3  ALA  16           3HB      ALA  16  11.760  11.473   0.670
  116    H    ALA  17           H        ALA  17   9.381   9.391  -1.666
  117    HA   ALA  17           HA       ALA  17   7.688  11.690  -1.264
  118    HB1  ALA  17           1HB      ALA  17   6.604  10.709  -3.408
  119    HB2  ALA  17           2HB      ALA  17   8.220  11.409  -3.497
  120    HB3  ALA  17           3HB      ALA  17   8.018   9.658  -3.429
  121    H    PHE  18           H        PHE  18   7.540   8.266  -0.741
  122    HA   PHE  18           HA       PHE  18   4.660   8.200  -0.542
  123    HB2  PHE  18           2HB      PHE  18   5.938   6.245  -1.375
  124    HB3  PHE  18           1HB      PHE  18   6.682   6.076   0.212
  125    HD1  PHE  18           1HD      PHE  18   3.212   6.491  -1.130
  126    HD2  PHE  18           2HD      PHE  18   5.823   4.380   1.493
  127    HE1  PHE  18           1HE      PHE  18   1.328   5.091  -0.385
  128    HE2  PHE  18           2HE      PHE  18   3.945   2.981   2.238
  129    HZ   PHE  18           HZ       PHE  18   1.695   3.338   1.307
  130    H    ALA  19           H        ALA  19   7.436   8.104   1.661
  131    HA   ALA  19           HA       ALA  19   6.012   7.676   4.039
  132    HB1  ALA  19           1HB      ALA  19   7.965   8.174   5.174
  133    HB2  ALA  19           2HB      ALA  19   8.549   7.621   3.603
  134    HB3  ALA  19           3HB      ALA  19   8.490   9.348   3.968
  135    H    LYS  20           H        LYS  20   6.211  10.490   2.074
  136    HA   LYS  20           HA       LYS  20   5.683  12.456   4.049
  137    HB2  LYS  20           2HB      LYS  20   5.576  12.311   1.090
  138    HB3  LYS  20           1HB      LYS  20   4.596  13.558   1.848
  139    HG2  LYS  20           2HG      LYS  20   6.398  14.737   2.573
  140    HG3  LYS  20           1HG      LYS  20   7.414  13.299   2.724
  141    HD2  LYS  20           2HD      LYS  20   7.415  13.181   0.206
  142    HD3  LYS  20           1HD      LYS  20   6.654  14.775   0.209
  143    HE2  LYS  20           2HE      LYS  20   9.081  14.931  -0.086
  144    HE3  LYS  20           1HE      LYS  20   8.558  15.701   1.409
  145    HZ1  LYS  20           3HZ      LYS  20   9.328  12.901   1.609
  146    HZ2  LYS  20           1HZ      LYS  20   9.627  14.190   2.672
  147    HZ3  LYS  20           2HZ      LYS  20  10.578  13.992   1.280
  148    H    GLN  21           H        GLN  21   3.782  10.017   2.627
  149    HA   GLN  21           HA       GLN  21   1.203  11.139   2.820
  150    HB2  GLN  21           2HB      GLN  21   2.351   8.647   2.153
  151    HB3  GLN  21           1HB      GLN  21   1.193   8.331   3.434
  152    HG2  GLN  21           2HG      GLN  21  -0.562   9.386   2.134
  153    HG3  GLN  21           1HG      GLN  21   0.594   9.778   0.861
  154   HE21  GLN  21          1HE2      GLN  21   0.069   8.543  -0.816
  155   HE22  GLN  21          2HE2      GLN  21  -0.196   6.837  -0.767
  156    H    ALA  22           H        ALA  22   3.393   9.816   5.166
  157    HA   ALA  22           HA       ALA  22   1.492   9.235   7.203
  158    HB1  ALA  22           1HB      ALA  22   3.249   8.356   8.270
  159    HB2  ALA  22           2HB      ALA  22   4.156   8.697   6.795
  160    HB3  ALA  22           3HB      ALA  22   4.183   9.846   8.135
  161    H    GLU  23           H        GLU  23   2.932  12.120   6.078
  162    HA   GLU  23           HA       GLU  23   2.301  13.539   8.553
  163    HB2  GLU  23           2HB      GLU  23   3.980  14.141   6.162
  164    HB3  GLU  23           1HB      GLU  23   3.331  15.486   7.094
  165    HG2  GLU  23           2HG      GLU  23   4.757  13.264   8.475
  166    HG3  GLU  23           1HG      GLU  23   5.673  14.528   7.657
  167    H    GLY  24           H        GLY  24   1.521  13.517   5.100
  168    HA2  GLY  24           1HA      GLY  24  -0.395  15.602   5.207
  169    HA3  GLY  24           2HA      GLY  24  -0.290  14.363   3.962
  170    H    THR  25           H        THR  25  -0.549  12.181   5.864
  171    HA   THR  25           HA       THR  25  -3.262  12.573   6.920
  172    HB   THR  25           HB       THR  25  -2.952   9.852   6.089
  173    HG1  THR  25           1HG      THR  25  -1.487  10.712   4.524
  174   HG21  THR  25          3HG2      THR  25  -4.877  11.952   6.035
  175   HG22  THR  25          1HG2      THR  25  -5.128  10.218   5.810
  176   HG23  THR  25          2HG2      THR  25  -4.775  11.246   4.423
  177    H    THR  26           H        THR  26  -3.352  12.025   9.013
  178    HA   THR  26           HA       THR  26  -1.029  11.047  10.325
  179    HB   THR  26           HB       THR  26  -3.561  11.026  11.830
  180    HG1  THR  26           1HG      THR  26  -2.554  13.384  10.552
  181   HG21  THR  26          3HG2      THR  26  -1.997  12.743  13.123
  182   HG22  THR  26          1HG2      THR  26  -0.749  11.944  12.164
  183   HG23  THR  26          2HG2      THR  26  -1.765  10.999  13.252
  184    H    CYS  27           H        CYS  27  -0.530   8.982   9.779
  185    HA   CYS  27           HA       CYS  27  -2.332   6.909  10.780
  186    HB2  CYS  27           2HB      CYS  27  -0.981   6.826   8.068
  187    HB3  CYS  27           1HB      CYS  27  -1.861   5.491   8.801
  188    H    ASN  28           H        ASN  28  -0.909   4.694  10.421
  189    HA   ASN  28           HA       ASN  28   1.710   5.277  11.642
  190    HB2  ASN  28           2HB      ASN  28  -0.179   4.387  13.183
  191    HB3  ASN  28           1HB      ASN  28   0.067   2.854  12.356
  192   HD21  ASN  28          1HD2      ASN  28   0.484   2.391  14.734
  193   HD22  ASN  28          2HD2      ASN  28   2.132   2.482  15.242
  194    H    VAL  29           H        VAL  29   3.032   3.069  11.635
  195    HA   VAL  29           HA       VAL  29   3.770   2.563   9.021
  196    HB   VAL  29           HB       VAL  29   4.806   0.411   9.986
  197   HG11  VAL  29          1HG1      VAL  29   6.078   2.311  11.634
  198   HG12  VAL  29          2HG1      VAL  29   6.549   1.779  10.020
  199   HG13  VAL  29          3HG1      VAL  29   5.485   3.172  10.214
  200   HG21  VAL  29          3HG2      VAL  29   4.170   1.677  12.629
  201   HG22  VAL  29          1HG2      VAL  29   3.115   0.451  11.922
  202   HG23  VAL  29          2HG2      VAL  29   4.796   0.063  12.296
  203    H    GLY  30           H        GLY  30   1.809   0.402  11.107
  204    HA2  GLY  30           1HA      GLY  30   1.130  -1.213   8.782
  205    HA3  GLY  30           2HA      GLY  30   0.686  -1.538  10.452
  206    H    SER  31           H        SER  31   0.147   1.648   9.314
  207    HA   SER  31           HA       SER  31  -2.688   1.033   8.824
  208    HB2  SER  31           2HB      SER  31  -1.898   3.707   9.904
  209    HB3  SER  31           1HB      SER  31  -3.401   2.807  10.122
  210    HG   SER  31           HG       SER  31  -1.482   1.353  11.184
  211    H    ILE  32           H        ILE  32   0.176   2.388   7.642
  212    HA   ILE  32           HA       ILE  32  -1.124   4.139   5.752
  213    HB   ILE  32           HB       ILE  32   1.575   3.737   6.654
  214   HG12  ILE  32          2HG1      ILE  32   1.528   5.917   4.955
  215   HG13  ILE  32          1HG1      ILE  32  -0.142   5.782   5.486
  216   HG21  ILE  32          1HG2      ILE  32   1.678   2.454   4.438
  217   HG22  ILE  32          2HG2      ILE  32   1.469   4.027   3.666
  218   HG23  ILE  32          3HG2      ILE  32   2.864   3.730   4.704
  219   HD11  ILE  32          3HD1      ILE  32   0.683   7.117   7.110
  220   HD12  ILE  32          1HD1      ILE  32   1.013   5.542   7.836
  221   HD13  ILE  32          2HD1      ILE  32   2.301   6.425   7.015
  222    H    ALA  33           H        ALA  33  -1.823   3.586   3.783
  223    HA   ALA  33           HA       ALA  33  -1.014   1.052   2.615
  224    HB1  ALA  33           1HB      ALA  33  -3.053   0.859   4.298
  225    HB2  ALA  33           2HB      ALA  33  -3.951   1.392   2.877
  226    HB3  ALA  33           3HB      ALA  33  -2.981  -0.080   2.807
  227    H    CYS  34           H        CYS  34  -1.637   0.788   0.457
  228    HA   CYS  34           HA       CYS  34  -2.713   3.201  -0.838
  229    HB2  CYS  34           2HB      CYS  34  -0.224   2.733  -1.206
  230    HB3  CYS  34           1HB      CYS  34  -0.737   1.310  -2.106
  231    H    CYS  35           H        CYS  35  -4.189   2.875  -2.493
  232    HA   CYS  35           HA       CYS  35  -5.023   0.089  -2.926
  233    HB2  CYS  35           2HB      CYS  35  -7.193   2.046  -3.080
  234    HB3  CYS  35           1HB      CYS  35  -7.157   0.467  -2.306
  235    H    ASN  36           H        ASN  36  -6.336  -0.207  -4.831
  236    HA   ASN  36           HA       ASN  36  -5.997   1.842  -6.901
  237    HB2  ASN  36           2HB      ASN  36  -4.274  -0.132  -6.990
  238    HB3  ASN  36           1HB      ASN  36  -5.641  -1.056  -7.605
  239   HD21  ASN  36          1HD2      ASN  36  -3.776  -1.020  -9.328
  240   HD22  ASN  36          2HD2      ASN  36  -4.012   0.149 -10.588
  241    H    SER  37           H        SER  37  -7.497   1.526  -8.718
  242    HA   SER  37           HA       SER  37 -10.122   1.222  -8.043
  243    HB2  SER  37           2HB      SER  37  -9.237   0.331 -10.765
  244    HB3  SER  37           1HB      SER  37 -10.571   1.394 -10.311
  245    HG   SER  37           HG       SER  37  -8.887   2.605 -11.220
  246    HA   PRO  38           HA       PRO  38 -10.879  -2.926  -6.864
  247    HB2  PRO  38           2HB      PRO  38 -13.340  -2.627  -8.531
  248    HB3  PRO  38           1HB      PRO  38 -13.171  -3.201  -6.867
  249    HG2  PRO  38           2HG      PRO  38 -14.060  -0.745  -7.359
  250    HG3  PRO  38           1HG      PRO  38 -12.948  -1.051  -6.010
  251    HD2  PRO  38           2HD      PRO  38 -12.425   0.218  -8.655
  252    HD3  PRO  38           1HD      PRO  38 -11.690   0.550  -7.072
  253    H    ALA  39           H        ALA  39 -11.427  -2.124 -10.275
  254    HA   ALA  39           HA       ALA  39 -11.432  -4.827 -11.170
  255    HB1  ALA  39           1HB      ALA  39 -11.532  -2.156 -12.422
  256    HB2  ALA  39           2HB      ALA  39 -10.922  -3.469 -13.428
  257    HB3  ALA  39           3HB      ALA  39 -12.528  -3.583 -12.709
  258    H    GLU  40           H        GLU  40  -8.925  -2.890 -10.102
  259    HA   GLU  40           HA       GLU  40  -6.938  -4.347 -11.717
  260    HB2  GLU  40           2HB      GLU  40  -6.936  -1.652 -10.429
  261    HB3  GLU  40           1HB      GLU  40  -5.408  -2.510 -10.562
  262    HG2  GLU  40           2HG      GLU  40  -6.763  -2.637 -13.068
  263    HG3  GLU  40           1HG      GLU  40  -6.712  -0.961 -12.517
  264    H    THR  41           H        THR  41  -7.764  -3.311  -8.444
  265    HA   THR  41           HA       THR  41  -5.800  -4.801  -7.084
  266    HB   THR  41           HB       THR  41  -8.554  -4.032  -6.092
  267    HG1  THR  41           1HG      THR  41  -7.827  -2.045  -6.159
  268   HG21  THR  41          3HG2      THR  41  -7.319  -3.921  -3.892
  269   HG22  THR  41          1HG2      THR  41  -5.985  -4.748  -4.695
  270   HG23  THR  41          2HG2      THR  41  -7.556  -5.538  -4.553
  271    H    ASN  42           H        ASN  42  -9.024  -5.588  -8.236
  272    HA   ASN  42           HA       ASN  42  -8.809  -8.302  -7.143
  273    HB2  ASN  42           2HB      ASN  42 -11.037  -6.513  -7.858
  274    HB3  ASN  42           1HB      ASN  42 -11.265  -8.197  -8.312
  275   HD21  ASN  42          1HD2      ASN  42  -9.881  -6.463  -5.544
  276   HD22  ASN  42          2HD2      ASN  42 -10.742  -7.353  -4.338
  277    H    ASN  43           H        ASN  43  -7.486  -7.064  -9.589
  278    HA   ASN  43           HA       ASN  43  -8.656  -8.164 -11.923
  279    HB2  ASN  43           2HB      ASN  43  -6.927  -6.284 -11.770
  280    HB3  ASN  43           1HB      ASN  43  -5.722  -7.554 -11.586
  281   HD21  ASN  43          1HD2      ASN  43  -8.048  -6.104 -13.726
  282   HD22  ASN  43          2HD2      ASN  43  -7.431  -6.797 -15.186
  283    H    ASP  44           H        ASP  44  -6.366  -9.347  -9.577
  284    HA   ASP  44           HA       ASP  44  -6.116 -11.866 -11.063
  285    HB2  ASP  44           2HB      ASP  44  -3.985 -10.878 -10.461
  286    HB3  ASP  44           1HB      ASP  44  -4.486 -10.730  -8.781
  287    H    SER  45           H        SER  45  -6.580 -13.827 -10.083
  288    HA   SER  45           HA       SER  45  -8.740 -13.801  -8.245
  289    HB2  SER  45           2HB      SER  45  -7.449 -16.388  -8.547
  290    HB3  SER  45           1HB      SER  45  -9.056 -15.873  -9.064
  291    HG   SER  45           HG       SER  45  -8.322 -15.519 -11.020
  292    H    LEU  46           H        LEU  46  -5.286 -14.459  -7.967
  293    HA   LEU  46           HA       LEU  46  -5.555 -15.341  -5.216
  294    HB2  LEU  46           2HB      LEU  46  -3.881 -16.200  -7.011
  295    HB3  LEU  46           1HB      LEU  46  -2.945 -14.781  -6.572
  296    HG   LEU  46           HG       LEU  46  -2.965 -15.582  -4.202
  297   HD11  LEU  46          1HD1      LEU  46  -4.172 -18.035  -5.467
  298   HD12  LEU  46          2HD1      LEU  46  -3.459 -17.993  -3.855
  299   HD13  LEU  46          3HD1      LEU  46  -4.884 -17.018  -4.215
  300   HD21  LEU  46          3HD2      LEU  46  -1.220 -17.200  -4.524
  301   HD22  LEU  46          1HD2      LEU  46  -1.759 -17.511  -6.175
  302   HD23  LEU  46          2HD2      LEU  46  -1.072 -15.943  -5.751
  303    H    LEU  47           H        LEU  47  -4.923 -12.439  -6.933
  304    HA   LEU  47           HA       LEU  47  -3.413 -10.926  -5.189
  305    HB2  LEU  47           2HB      LEU  47  -4.800 -10.451  -7.506
  306    HB3  LEU  47           1HB      LEU  47  -5.683  -9.470  -6.354
  307    HG   LEU  47           HG       LEU  47  -3.886  -8.250  -7.583
  308   HD11  LEU  47          1HD1      LEU  47  -2.855  -7.261  -5.494
  309   HD12  LEU  47          2HD1      LEU  47  -4.616  -7.263  -5.580
  310   HD13  LEU  47          3HD1      LEU  47  -3.781  -8.459  -4.589
  311   HD21  LEU  47          3HD2      LEU  47  -2.253 -10.063  -7.705
  312   HD22  LEU  47          1HD2      LEU  47  -1.561  -8.628  -6.947
  313   HD23  LEU  47          2HD2      LEU  47  -2.050 -10.004  -5.954
  314    H    SER  48           H        SER  48  -6.913 -11.382  -5.202
  315    HA   SER  48           HA       SER  48  -7.443  -9.673  -3.017
  316    HB2  SER  48           2HB      SER  48  -8.934 -11.106  -4.894
  317    HB3  SER  48           1HB      SER  48  -9.410 -11.786  -3.334
  318    HG   SER  48           HG       SER  48 -10.600  -9.874  -4.108
  319    H    GLY  49           H        GLY  49  -6.191 -12.870  -3.168
  320    HA2  GLY  49           1HA      GLY  49  -6.852 -13.424  -0.366
  321    HA3  GLY  49           2HA      GLY  49  -6.066 -14.531  -1.483
  322    H    LEU  50           H        LEU  50  -4.172 -12.490  -2.396
  323    HA   LEU  50           HA       LEU  50  -2.166 -12.807  -0.385
  324    HB2  LEU  50           2HB      LEU  50  -2.268 -11.333  -3.005
  325    HB3  LEU  50           1HB      LEU  50  -0.868 -11.252  -1.953
  326    HG   LEU  50           HG       LEU  50  -1.944 -13.896  -2.882
  327   HD11  LEU  50          1HD1      LEU  50  -0.727 -11.841  -4.502
  328   HD12  LEU  50          2HD1      LEU  50   0.266 -13.297  -4.456
  329   HD13  LEU  50          3HD1      LEU  50  -1.414 -13.394  -4.979
  330   HD21  LEU  50          3HD2      LEU  50   0.463 -14.510  -2.571
  331   HD22  LEU  50          1HD2      LEU  50   0.721 -12.905  -1.882
  332   HD23  LEU  50          2HD2      LEU  50  -0.374 -14.038  -1.091
  333    H    LEU  51           H        LEU  51  -4.444 -10.346  -1.260
  334    HA   LEU  51           HA       LEU  51  -3.454  -8.126   0.077
  335    HB2  LEU  51           2HB      LEU  51  -5.948  -8.988  -0.999
  336    HB3  LEU  51           1HB      LEU  51  -6.249  -8.360   0.608
  337    HG   LEU  51           HG       LEU  51  -6.543  -6.469  -0.645
  338   HD11  LEU  51          1HD1      LEU  51  -4.563  -6.302   1.005
  339   HD12  LEU  51          2HD1      LEU  51  -3.569  -6.197  -0.448
  340   HD13  LEU  51          3HD1      LEU  51  -4.828  -4.998  -0.151
  341   HD21  LEU  51          3HD2      LEU  51  -4.388  -6.317  -2.478
  342   HD22  LEU  51          1HD2      LEU  51  -5.096  -7.926  -2.611
  343   HD23  LEU  51          2HD2      LEU  51  -6.108  -6.497  -2.814
  344    H    GLY  52           H        GLY  52  -5.514 -10.734   1.336
  345    HA2  GLY  52           1HA      GLY  52  -5.089  -9.821   4.058
  346    HA3  GLY  52           2HA      GLY  52  -6.103 -11.167   3.552
  347    H    ALA  53           H        ALA  53  -2.711 -10.161   3.857
  348    HA   ALA  53           HA       ALA  53  -1.969 -12.992   4.127
  349    HB1  ALA  53           1HB      ALA  53  -0.224 -12.408   2.878
  350    HB2  ALA  53           2HB      ALA  53  -0.674 -10.704   2.961
  351    HB3  ALA  53           3HB      ALA  53   0.352 -11.409   4.214
  352    H    GLY  54           H        GLY  54  -3.416 -11.667   6.125
  353    HA2  GLY  54           1HA      GLY  54  -2.317 -12.249   8.518
  354    HA3  GLY  54           2HA      GLY  54  -1.662 -10.651   8.172
  355    H    LEU  55           H        LEU  55  -2.824  -8.969   8.821
  356    HA   LEU  55           HA       LEU  55  -5.722  -9.362   9.167
  357    HB2  LEU  55           2HB      LEU  55  -3.788  -8.501  11.048
  358    HB3  LEU  55           1HB      LEU  55  -4.789  -7.113  10.664
  359    HG   LEU  55           HG       LEU  55  -5.768  -8.165  12.553
  360   HD11  LEU  55          1HD1      LEU  55  -7.967  -8.919  11.686
  361   HD12  LEU  55          2HD1      LEU  55  -7.414  -7.408  10.966
  362   HD13  LEU  55          3HD1      LEU  55  -7.292  -8.914  10.056
  363   HD21  LEU  55          3HD2      LEU  55  -6.550 -10.717  11.739
  364   HD22  LEU  55          1HD2      LEU  55  -4.857 -10.575  11.265
  365   HD23  LEU  55          2HD2      LEU  55  -5.329 -10.306  12.942
  366    H    LEU  56           H        LEU  56  -5.698  -8.793   6.856
  367    HA   LEU  56           HA       LEU  56  -5.765  -5.868   6.538
  368    HB2  LEU  56           2HB      LEU  56  -4.609  -7.969   4.803
  369    HB3  LEU  56           1HB      LEU  56  -5.478  -6.681   3.993
  370    HG   LEU  56           HG       LEU  56  -3.915  -5.188   5.574
  371   HD11  LEU  56          1HD1      LEU  56  -1.874  -7.179   4.848
  372   HD12  LEU  56          2HD1      LEU  56  -1.993  -6.137   6.267
  373   HD13  LEU  56          3HD1      LEU  56  -2.926  -7.632   6.189
  374   HD21  LEU  56          3HD2      LEU  56  -2.729  -4.652   3.659
  375   HD22  LEU  56          1HD2      LEU  56  -2.705  -6.316   3.082
  376   HD23  LEU  56          2HD2      LEU  56  -4.193  -5.376   2.994
  377    H    ASN  57           H        ASN  57  -7.621  -5.021   5.777
  378    HA   ASN  57           HA       ASN  57  -9.613  -6.867   4.683
  379    HB2  ASN  57           2HB      ASN  57  -9.786  -5.424   7.139
  380    HB3  ASN  57           1HB      ASN  57 -10.975  -4.763   6.017
  381   HD21  ASN  57          1HD2      ASN  57 -12.668  -5.601   7.223
  382   HD22  ASN  57          2HD2      ASN  57 -13.048  -7.295   7.209
  383    H    GLY  58           H        GLY  58 -11.575  -5.187   3.980
  384    HA2  GLY  58           1HA      GLY  58 -10.221  -3.844   1.751
  385    HA3  GLY  58           2HA      GLY  58 -11.902  -4.355   1.781
  386    H    LEU  59           H        LEU  59 -12.270  -2.208   0.897
  387    HA   LEU  59           HA       LEU  59 -11.758   0.153   2.357
  388    HB2  LEU  59           2HB      LEU  59 -13.041  -0.583  -0.094
  389    HB3  LEU  59           1HB      LEU  59 -14.104   0.493   0.791
  390    HG   LEU  59           HG       LEU  59 -12.601   1.638  -0.840
  391   HD11  LEU  59          1HD1      LEU  59 -13.396   3.139   0.691
  392   HD12  LEU  59          2HD1      LEU  59 -12.684   2.288   2.063
  393   HD13  LEU  59          3HD1      LEU  59 -11.662   3.261   1.005
  394   HD21  LEU  59          3HD2      LEU  59 -10.637   0.249  -0.588
  395   HD22  LEU  59          1HD2      LEU  59 -10.237   1.924  -0.206
  396   HD23  LEU  59          2HD2      LEU  59 -10.464   0.750   1.092
  397    H    SER  60           H        SER  60 -13.351   1.548   3.378
  398    HA   SER  60           HA       SER  60 -14.685   0.250   5.450
  399    HB2  SER  60           2HB      SER  60 -15.776   2.773   5.414
  400    HB3  SER  60           1HB      SER  60 -14.268   2.323   6.195
  401    HG   SER  60           HG       SER  60 -14.453   4.126   4.456
  402    H    GLY  61           H        GLY  61 -16.079  -1.269   4.577
  403    HA2  GLY  61           1HA      GLY  61 -18.338  -1.853   4.460
  404    HA3  GLY  61           2HA      GLY  61 -18.735  -0.180   4.105
  405    H    ASN  62           H        ASN  62 -16.207  -1.143   2.125
  406    HA   ASN  62           HA       ASN  62 -18.130  -1.701  -0.042
  407    HB2  ASN  62           2HB      ASN  62 -16.854   0.563   0.001
  408    HB3  ASN  62           1HB      ASN  62 -15.472  -0.393  -0.525
  409   HD21  ASN  62          1HD2      ASN  62 -15.189  -0.113  -2.617
  410   HD22  ASN  62          2HD2      ASN  62 -16.439  -0.085  -3.814
  411    H    THR  63           H        THR  63 -17.791  -3.416  -1.310
  412    HA   THR  63           HA       THR  63 -15.421  -5.061  -0.781
  413    HB   THR  63           HB       THR  63 -17.383  -6.303  -2.511
  414    HG1  THR  63           1HG      THR  63 -18.287  -5.119  -0.084
  415   HG21  THR  63          3HG2      THR  63 -15.886  -7.673  -1.299
  416   HG22  THR  63          1HG2      THR  63 -17.454  -7.907  -0.526
  417   HG23  THR  63          2HG2      THR  63 -16.253  -6.860   0.224
  418    H    GLY  64           H        GLY  64 -13.854  -5.194  -2.264
  419    HA2  GLY  64           1HA      GLY  64 -13.461  -5.653  -4.704
  420    HA3  GLY  64           2HA      GLY  64 -14.441  -4.219  -4.989
  421    H    SER  65           H        SER  65 -13.538  -2.425  -3.229
  422    HA   SER  65           HA       SER  65 -10.879  -1.825  -4.171
  423    HB2  SER  65           2HB      SER  65 -11.820  -0.060  -2.090
  424    HB3  SER  65           1HB      SER  65 -11.544   0.289  -3.794
  425    HG   SER  65           HG       SER  65 -13.626   0.345  -4.013
  426    H    ALA  66           H        ALA  66  -9.146  -2.658  -3.201
  427    HA   ALA  66           HA       ALA  66  -9.173  -2.914  -0.272
  428    HB1  ALA  66           1HB      ALA  66  -9.215  -5.080  -1.873
  429    HB2  ALA  66           2HB      ALA  66  -7.474  -4.818  -1.759
  430    HB3  ALA  66           3HB      ALA  66  -8.430  -5.051  -0.295
  431    H    CYS  67           H        CYS  67  -7.234  -2.453   0.770
  432    HA   CYS  67           HA       CYS  67  -5.149  -1.222  -0.912
  433    HB2  CYS  67           2HB      CYS  67  -5.691  -0.381   1.924
  434    HB3  CYS  67           1HB      CYS  67  -4.837   0.494   0.661
  435    H    ALA  68           H        ALA  68  -3.084  -1.857  -0.579
  436    HA   ALA  68           HA       ALA  68  -2.621  -3.731   1.638
  437    HB1  ALA  68           1HB      ALA  68  -1.978  -3.957  -1.071
  438    HB2  ALA  68           2HB      ALA  68  -0.449  -3.639  -0.253
  439    HB3  ALA  68           3HB      ALA  68  -1.445  -5.006   0.245
  440    H    LYS  69           H        LYS  69  -0.658  -3.555   2.836
  441    HA   LYS  69           HA       LYS  69   0.270  -0.765   2.993
  442    HB2  LYS  69           2HB      LYS  69   0.939  -1.916   5.407
  443    HB3  LYS  69           1HB      LYS  69  -0.471  -0.909   5.110
  444    HG2  LYS  69           2HG      LYS  69  -0.737  -3.790   4.513
  445    HG3  LYS  69           1HG      LYS  69  -0.620  -3.321   6.212
  446    HD2  LYS  69           2HD      LYS  69  -2.424  -1.597   4.748
  447    HD3  LYS  69           1HD      LYS  69  -2.901  -3.292   4.627
  448    HE2  LYS  69           2HE      LYS  69  -2.224  -1.957   7.231
  449    HE3  LYS  69           1HE      LYS  69  -3.860  -2.006   6.577
  450    HZ1  LYS  69           3HZ      LYS  69  -2.179  -4.231   7.534
  451    HZ2  LYS  69           1HZ      LYS  69  -3.475  -4.513   6.480
  452    HZ3  LYS  69           2HZ      LYS  69  -3.764  -3.813   7.986
  453    H    ALA  70           H        ALA  70   2.448  -0.861   4.438
  454    HA   ALA  70           HA       ALA  70   4.424  -1.821   2.687
  455    HB1  ALA  70           1HB      ALA  70   5.990  -0.946   4.179
  456    HB2  ALA  70           2HB      ALA  70   4.565   0.066   4.412
  457    HB3  ALA  70           3HB      ALA  70   4.947  -1.205   5.576
  458    H    SER  71           H        SER  71   2.774  -3.311   5.330
  459    HA   SER  71           HA       SER  71   4.633  -5.343   5.944
  460    HB2  SER  71           2HB      SER  71   2.023  -6.316   6.410
  461    HB3  SER  71           1HB      SER  71   3.108  -5.572   7.586
  462    HG   SER  71           HG       SER  71   0.925  -4.585   7.214
  463    H    LEU  72           H        LEU  72   2.190  -4.935   3.497
  464    HA   LEU  72           HA       LEU  72   2.427  -7.696   2.609
  465    HB2  LEU  72           2HB      LEU  72   0.440  -5.710   2.471
  466    HB3  LEU  72           1HB      LEU  72   0.947  -6.005   0.816
  467    HG   LEU  72           HG       LEU  72  -0.819  -7.501   1.120
  468   HD11  LEU  72          1HD1      LEU  72   0.354  -9.777   1.461
  469   HD12  LEU  72          2HD1      LEU  72   0.845  -8.767   0.100
  470   HD13  LEU  72          3HD1      LEU  72   1.831  -8.818   1.562
  471   HD21  LEU  72          3HD2      LEU  72   0.362  -8.091   3.828
  472   HD22  LEU  72          1HD2      LEU  72  -1.161  -7.269   3.485
  473   HD23  LEU  72          2HD2      LEU  72  -0.981  -8.984   3.117
  474    H    ILE  73           H        ILE  73   3.381  -4.477   1.688
  475    HA   ILE  73           HA       ILE  73   4.285  -5.078  -0.919
  476    HB   ILE  73           HB       ILE  73   4.822  -2.821   0.990
  477   HG12  ILE  73          2HG1      ILE  73   3.841  -2.435  -1.782
  478   HG13  ILE  73          1HG1      ILE  73   2.766  -3.301  -0.690
  479   HG21  ILE  73          1HG2      ILE  73   6.398  -1.802  -0.337
  480   HG22  ILE  73          2HG2      ILE  73   6.863  -3.493  -0.514
  481   HG23  ILE  73          3HG2      ILE  73   5.923  -2.700  -1.777
  482   HD11  ILE  73          3HD1      ILE  73   3.917  -0.850   0.419
  483   HD12  ILE  73          1HD1      ILE  73   2.852  -0.614  -0.967
  484   HD13  ILE  73          2HD1      ILE  73   2.261  -1.456   0.467
  485    H    ASP  74           H        ASP  74   5.898  -5.109   2.241
  486    HA   ASP  74           HA       ASP  74   8.411  -5.927   1.057
  487    HB2  ASP  74           2HB      ASP  74   7.758  -4.667   3.421
  488    HB3  ASP  74           1HB      ASP  74   8.146  -6.301   3.947
  489    H    GLN  75           H        GLN  75   5.572  -7.491   1.661
  490    HA   GLN  75           HA       GLN  75   6.815 -10.013   2.456
  491    HB2  GLN  75           2HB      GLN  75   4.315  -8.883   2.968
  492    HB3  GLN  75           1HB      GLN  75   3.991 -10.187   1.830
  493    HG2  GLN  75           2HG      GLN  75   3.841 -11.353   3.770
  494    HG3  GLN  75           1HG      GLN  75   5.572 -11.526   3.479
  495   HE21  GLN  75          1HE2      GLN  75   6.483  -9.052   4.207
  496   HE22  GLN  75          2HE2      GLN  75   6.203  -8.779   5.889
  497    H    LEU  76           H        LEU  76   4.742  -8.748  -0.143
  498    HA   LEU  76           HA       LEU  76   5.761 -10.917  -1.851
  499    HB2  LEU  76           2HB      LEU  76   2.977 -10.126  -1.250
  500    HB3  LEU  76           1HB      LEU  76   3.330 -10.499  -2.925
  501    HG   LEU  76           HG       LEU  76   2.621 -12.541  -2.144
  502   HD11  LEU  76          1HD1      LEU  76   4.366 -13.872  -2.552
  503   HD12  LEU  76          2HD1      LEU  76   5.247 -12.367  -2.806
  504   HD13  LEU  76          3HD1      LEU  76   5.331 -13.186  -1.245
  505   HD21  LEU  76          3HD2      LEU  76   4.016 -11.904   0.451
  506   HD22  LEU  76          1HD2      LEU  76   2.279 -12.021   0.153
  507   HD23  LEU  76          2HD2      LEU  76   3.284 -13.467   0.080
  508    H    GLY  77           H        GLY  77   4.803  -7.568  -1.596
  509    HA2  GLY  77           1HA      GLY  77   5.501  -5.815  -2.957
  510    HA3  GLY  77           2HA      GLY  77   6.196  -6.986  -4.069
  511    H    LEU  78           H        LEU  78   2.920  -6.435  -2.828
  512    HA   LEU  78           HA       LEU  78   1.594  -7.260  -5.134
  513    HB2  LEU  78           2HB      LEU  78   0.735  -5.471  -2.868
  514    HB3  LEU  78           1HB      LEU  78  -0.364  -5.990  -4.128
  515    HG   LEU  78           HG       LEU  78   0.711  -7.473  -1.814
  516   HD11  LEU  78          1HD1      LEU  78  -1.746  -8.237  -3.274
  517   HD12  LEU  78          2HD1      LEU  78  -1.441  -8.107  -1.542
  518   HD13  LEU  78          3HD1      LEU  78  -1.720  -6.653  -2.496
  519   HD21  LEU  78          3HD2      LEU  78  -0.049  -9.531  -3.491
  520   HD22  LEU  78          1HD2      LEU  78   0.983  -8.518  -4.503
  521   HD23  LEU  78          2HD2      LEU  78   1.591  -9.147  -2.972
  522    H    LEU  79           H        LEU  79   2.232  -6.321  -7.029
  523    HA   LEU  79           HA       LEU  79   2.571  -3.477  -7.288
  524    HB2  LEU  79           2HB      LEU  79   2.425  -4.648  -9.843
  525    HB3  LEU  79           1HB      LEU  79   3.857  -4.133  -8.975
  526    HG   LEU  79           HG       LEU  79   3.374  -6.591  -7.859
  527   HD11  LEU  79          1HD1      LEU  79   2.069  -7.814  -9.177
  528   HD12  LEU  79          2HD1      LEU  79   1.958  -6.509 -10.358
  529   HD13  LEU  79          3HD1      LEU  79   3.285  -7.668 -10.445
  530   HD21  LEU  79          3HD2      LEU  79   5.251  -5.391  -9.720
  531   HD22  LEU  79          1HD2      LEU  79   5.539  -6.496  -8.375
  532   HD23  LEU  79          2HD2      LEU  79   5.082  -7.128  -9.957
  533    H    ALA  80           H        ALA  80  -0.154  -5.127  -6.949
  534    HA   ALA  80           HA       ALA  80  -1.726  -4.297  -9.162
  535    HB1  ALA  80           1HB      ALA  80  -2.972  -4.803  -6.504
  536    HB2  ALA  80           2HB      ALA  80  -3.508  -5.286  -8.110
  537    HB3  ALA  80           3HB      ALA  80  -2.169  -6.134  -7.338
  538    H    LEU  81           H        LEU  81  -0.709  -2.742  -6.236
  539    HA   LEU  81           HA       LEU  81  -2.432  -0.449  -6.887
  540    HB2  LEU  81           2HB      LEU  81  -2.094  -0.236  -4.185
  541    HB3  LEU  81           1HB      LEU  81  -3.529  -0.837  -4.995
  542    HG   LEU  81           HG       LEU  81  -1.769  -3.026  -4.774
  543   HD11  LEU  81          1HD1      LEU  81  -1.422  -1.129  -2.621
  544   HD12  LEU  81          2HD1      LEU  81  -2.039  -2.676  -2.033
  545   HD13  LEU  81          3HD1      LEU  81  -0.542  -2.619  -2.966
  546   HD21  LEU  81          3HD2      LEU  81  -3.617  -4.034  -3.896
  547   HD22  LEU  81          1HD2      LEU  81  -4.036  -2.641  -2.896
  548   HD23  LEU  81          2HD2      LEU  81  -4.370  -2.614  -4.629
  549    H    VAL  82           H        VAL  82   0.647  -1.426  -6.825
  550    HA   VAL  82           HA       VAL  82   1.649   1.053  -5.602
  551    HB   VAL  82           HB       VAL  82   3.184  -1.527  -5.987
  552   HG11  VAL  82          1HG1      VAL  82   4.810   0.128  -5.902
  553   HG12  VAL  82          2HG1      VAL  82   3.869   1.141  -4.809
  554   HG13  VAL  82          3HG1      VAL  82   4.651  -0.318  -4.202
  555   HG21  VAL  82          3HG2      VAL  82   2.622  -0.651  -3.256
  556   HG22  VAL  82          1HG2      VAL  82   1.181  -1.104  -4.163
  557   HG23  VAL  82          2HG2      VAL  82   2.505  -2.256  -3.980
  558    H    ASP  83           H        ASP  83   2.912   2.381  -6.728
  559    HA   ASP  83           HA       ASP  83   3.748   1.536  -9.416
  560    HB2  ASP  83           2HB      ASP  83   1.809   3.303  -9.159
  561    HB3  ASP  83           1HB      ASP  83   3.139   4.417  -8.855
  562    H    HIS  84           H        HIS  84   5.473   3.422 -10.173
  563    HA   HIS  84           HA       HIS  84   7.378   3.643  -7.946
  564    HB2  HIS  84           2HB      HIS  84   7.744   1.492  -9.193
  565    HB3  HIS  84           1HB      HIS  84   8.146   2.452 -10.613
  566    HD1  HIS  84           1HD      HIS  84   9.352   1.960  -7.046
  567    HD2  HIS  84           2HD      HIS  84  10.768   3.181 -10.755
  568    HE1  HIS  84           1HE      HIS  84  11.809   2.366  -6.727
  569    HE2  HIS  84           2HE      HIS  84  12.607   3.267  -8.937
  570    H    THR  85           H        THR  85   8.633   5.403  -7.967
  571    HA   THR  85           HA       THR  85   8.977   6.870 -10.489
  572    HB   THR  85           HB       THR  85   8.974   8.950  -8.785
  573    HG1  THR  85           1HG      THR  85   7.370   6.943  -7.633
  574   HG21  THR  85          3HG2      THR  85   7.097   9.648  -9.880
  575   HG22  THR  85          1HG2      THR  85   6.273   8.101  -9.680
  576   HG23  THR  85          2HG2      THR  85   7.522   8.281 -10.911
  577    H    GLU  86           H        GLU  86  10.605   8.879  -9.622
  578    HA   GLU  86           HA       GLU  86  13.093   7.628  -9.251
  579    HB2  GLU  86           2HB      GLU  86  12.087  10.408  -9.298
  580    HB3  GLU  86           1HB      GLU  86  13.585  10.166  -8.408
  581    HG2  GLU  86           2HG      GLU  86  13.709  10.783 -10.898
  582    HG3  GLU  86           1HG      GLU  86  14.744   9.488 -10.300
  583    H    GLU  87           H        GLU  87  10.907   9.256  -7.035
  584    HA   GLU  87           HA       GLU  87  12.608   8.853  -4.745
  585    HB2  GLU  87           2HB      GLU  87   9.711   9.694  -4.721
  586    HB3  GLU  87           1HB      GLU  87  10.947  10.032  -3.517
  587    HG2  GLU  87           2HG      GLU  87  10.994  12.037  -4.526
  588    HG3  GLU  87           1HG      GLU  87  12.071  11.206  -5.647
  589    H    GLY  88           H        GLY  88  12.019   6.419  -5.995
  590    HA2  GLY  88           1HA      GLY  88  11.853   4.301  -5.075
  591    HA3  GLY  88           2HA      GLY  88  11.168   5.015  -3.626
  592    HA   PRO  89           HA       PRO  89   7.698   2.834  -5.850
  593    HB2  PRO  89           2HB      PRO  89   7.313   1.528  -3.259
  594    HB3  PRO  89           1HB      PRO  89   7.528   0.798  -4.851
  595    HG2  PRO  89           2HG      PRO  89   9.414   0.650  -2.917
  596    HG3  PRO  89           1HG      PRO  89   9.812   0.688  -4.645
  597    HD2  PRO  89           2HD      PRO  89   9.926   2.892  -2.622
  598    HD3  PRO  89           1HD      PRO  89  11.061   2.499  -3.933
  599    H    VAL  90           H        VAL  90   5.699   3.691  -5.733
  600    HA   VAL  90           HA       VAL  90   4.957   5.174  -3.309
  601    HB   VAL  90           HB       VAL  90   3.958   6.895  -5.008
  602   HG11  VAL  90          1HG1      VAL  90   6.819   7.379  -4.970
  603   HG12  VAL  90          2HG1      VAL  90   5.514   8.258  -4.176
  604   HG13  VAL  90          3HG1      VAL  90   6.209   6.828  -3.410
  605   HG21  VAL  90          3HG2      VAL  90   6.352   6.127  -6.631
  606   HG22  VAL  90          1HG2      VAL  90   4.800   5.342  -6.920
  607   HG23  VAL  90          2HG2      VAL  90   4.948   7.092  -7.094
  608    H    CYS  91           H        CYS  91   2.648   6.300  -4.716
  609    HA   CYS  91           HA       CYS  91   0.944   3.946  -4.474
  610    HB2  CYS  91           2HB      CYS  91   0.705   6.752  -3.826
  611    HB3  CYS  91           1HB      CYS  91  -0.647   6.227  -4.824
  612    H    LYS  92           H        LYS  92  -0.689   3.494  -6.035
  613    HA   LYS  92           HA       LYS  92   0.160   4.200  -8.731
  614    HB2  LYS  92           2HB      LYS  92  -0.378   1.820  -7.935
  615    HB3  LYS  92           1HB      LYS  92  -2.066   2.309  -8.022
  616    HG2  LYS  92           2HG      LYS  92  -2.107   1.943 -10.198
  617    HG3  LYS  92           1HG      LYS  92  -0.731   3.020 -10.450
  618    HD2  LYS  92           2HD      LYS  92   0.765   1.135  -9.781
  619    HD3  LYS  92           1HD      LYS  92  -0.654   0.089  -9.767
  620    HE2  LYS  92           2HE      LYS  92  -0.529  -0.185 -11.969
  621    HE3  LYS  92           1HE      LYS  92  -0.565   1.560 -12.223
  622    HZ1  LYS  92           3HZ      LYS  92   1.835   1.611 -11.850
  623    HZ2  LYS  92           1HZ      LYS  92   1.430   0.610 -13.160
  624    HZ3  LYS  92           2HZ      LYS  92   1.849  -0.082 -11.672
  625    H    ASN  93           H        ASN  93  -2.517   4.701  -6.549
  626    HA   ASN  93           HA       ASN  93  -3.754   6.593  -8.331
  627    HB2  ASN  93           2HB      ASN  93  -4.768   3.821  -8.130
  628    HB3  ASN  93           1HB      ASN  93  -5.984   5.085  -7.997
  629   HD21  ASN  93          1HD2      ASN  93  -4.936   3.020 -10.100
  630   HD22  ASN  93          2HD2      ASN  93  -4.939   3.944 -11.564
  631    H    ILE  94           H        ILE  94  -4.692   4.461  -5.607
  632    HA   ILE  94           HA       ILE  94  -5.993   6.817  -4.411
  633    HB   ILE  94           HB       ILE  94  -6.704   3.906  -4.025
  634   HG12  ILE  94          2HG1      ILE  94  -8.369   5.953  -5.473
  635   HG13  ILE  94          1HG1      ILE  94  -7.147   5.008  -6.317
  636   HG21  ILE  94          1HG2      ILE  94  -8.544   6.117  -3.303
  637   HG22  ILE  94          2HG2      ILE  94  -8.344   4.523  -2.575
  638   HG23  ILE  94          3HG2      ILE  94  -7.176   5.800  -2.234
  639   HD11  ILE  94          3HD1      ILE  94  -8.619   3.133  -4.893
  640   HD12  ILE  94          1HD1      ILE  94  -9.812   4.271  -5.517
  641   HD13  ILE  94          2HD1      ILE  94  -8.702   3.461  -6.622
  642    H    VAL  95           H        VAL  95  -5.415   7.461  -2.445
  643    HA   VAL  95           HA       VAL  95  -3.608   5.752  -0.881
  644    HB   VAL  95           HB       VAL  95  -2.378   7.655  -0.902
  645   HG11  VAL  95          1HG1      VAL  95  -2.989   9.523  -1.972
  646   HG12  VAL  95          2HG1      VAL  95  -4.477   8.649  -2.340
  647   HG13  VAL  95          3HG1      VAL  95  -4.419   9.749  -0.962
  648   HG21  VAL  95          3HG2      VAL  95  -2.980   9.301   0.906
  649   HG22  VAL  95          1HG2      VAL  95  -4.457   8.369   1.153
  650   HG23  VAL  95          2HG2      VAL  95  -2.885   7.613   1.413
  651    H    ALA  96           H        ALA  96  -4.124   5.184   1.231
  652    HA   ALA  96           HA       ALA  96  -6.584   6.202   2.399
  653    HB1  ALA  96           1HB      ALA  96  -6.278   3.268   1.787
  654    HB2  ALA  96           2HB      ALA  96  -7.635   4.039   2.610
  655    HB3  ALA  96           3HB      ALA  96  -7.323   4.387   0.911
  656    H    CYS  97           H        CYS  97  -7.005   5.216   4.549
  657    HA   CYS  97           HA       CYS  97  -4.481   4.499   5.879
  658    HB2  CYS  97           2HB      CYS  97  -5.761   6.694   6.506
  659    HB3  CYS  97           1HB      CYS  97  -6.844   5.606   7.365
  660    H    CYS  98           H        CYS  98  -4.370   2.465   6.425
  661    HA   CYS  98           HA       CYS  98  -6.823   1.031   7.156
  662    HB2  CYS  98           2HB      CYS  98  -6.419   0.542   4.797
  663    HB3  CYS  98           1HB      CYS  98  -4.760   0.076   5.155
  664    HA   PRO  99           HA       PRO  99  -3.836  -0.138  10.394
  665    HB2  PRO  99           2HB      PRO  99  -6.357  -1.152  11.571
  666    HB3  PRO  99           1HB      PRO  99  -5.147  -0.071  12.280
  667    HG2  PRO  99           2HG      PRO  99  -7.531   0.839  11.524
  668    HG3  PRO  99           1HG      PRO  99  -6.063   1.805  11.260
  669    HD2  PRO  99           2HD      PRO  99  -7.590   0.109   9.307
  670    HD3  PRO  99           1HD      PRO  99  -6.917   1.740   9.091
  671    H    GLU 100           H        GLU 100  -2.874  -2.150  10.706
  672    HA   GLU 100           HA       GLU 100  -3.963  -4.447   9.354
  673    HB2  GLU 100           2HB      GLU 100  -1.452  -3.836   9.959
  674    HB3  GLU 100           1HB      GLU 100  -1.828  -4.748  11.412
  675    HG2  GLU 100           2HG      GLU 100  -1.508  -6.658  10.338
  676    HG3  GLU 100           1HG      GLU 100  -2.749  -6.234   9.157
  677    H    GLY 101           H        GLY 101  -6.026  -4.251  10.474
  678    HA2  GLY 101           1HA      GLY 101  -6.841  -6.185  12.051
  679    HA3  GLY 101           2HA      GLY 101  -6.049  -5.170  13.254
  680    H    THR 102           H        THR 102  -8.363  -4.848  10.562
  681    HA   THR 102           HA       THR 102 -10.135  -3.338  12.292
  682    HB   THR 102           HB       THR 102  -8.623  -1.623  11.362
  683    HG1  THR 102           1HG      THR 102 -10.615  -0.648  10.002
  684   HG21  THR 102          3HG2      THR 102  -8.410  -3.063   9.163
  685   HG22  THR 102          1HG2      THR 102  -8.214  -1.311   9.126
  686   HG23  THR 102          2HG2      THR 102  -9.744  -2.037   8.633
  687    H    THR 103           H        THR 103 -12.230  -3.036  11.426
  688    HA   THR 103           HA       THR 103 -13.253  -5.201   9.919
  689    HB   THR 103           HB       THR 103 -15.027  -2.955   9.875
  690    HG1  THR 103           1HG      THR 103 -14.357  -3.408  12.543
  691   HG21  THR 103          3HG2      THR 103 -15.043  -5.276  11.779
  692   HG22  THR 103          1HG2      THR 103 -15.509  -5.418  10.088
  693   HG23  THR 103          2HG2      THR 103 -16.420  -4.364  11.165
  694    H    ASN 104           H        ASN 104 -12.524  -1.882   9.195
  695    HA   ASN 104           HA       ASN 104 -12.187  -2.562   6.411
  696    HB2  ASN 104           2HB      ASN 104 -13.641  -0.414   5.894
  697    HB3  ASN 104           1HB      ASN 104 -14.375  -2.006   6.035
  698   HD21  ASN 104          1HD2      ASN 104 -13.369   0.576   8.274
  699   HD22  ASN 104          2HD2      ASN 104 -14.849   0.592   9.163
  700    H    CYS 105           H        CYS 105 -11.154  -0.871   5.191
  701    HA   CYS 105           HA       CYS 105  -9.712   1.039   6.924
  702    HB2  CYS 105           2HB      CYS 105  -8.784   0.342   4.158
  703    HB3  CYS 105           1HB      CYS 105  -7.843   0.784   5.580
  704    H    VAL 106           H        VAL 106  -9.705   3.197   6.319
  705    HA   VAL 106           HA       VAL 106 -11.825   3.901   4.452
  706    HB   VAL 106           HB       VAL 106 -12.273   5.764   5.682
  707   HG11  VAL 106          1HG1      VAL 106 -10.772   4.274   7.816
  708   HG12  VAL 106          2HG1      VAL 106 -12.214   5.274   7.998
  709   HG13  VAL 106          3HG1      VAL 106 -12.313   3.728   7.155
  710   HG21  VAL 106          3HG2      VAL 106 -10.671   7.068   6.992
  711   HG22  VAL 106          1HG2      VAL 106  -9.404   5.903   6.607
  712   HG23  VAL 106          2HG2      VAL 106 -10.125   6.877   5.325
  713    H    ALA 107           H        ALA 107 -11.546   5.063   2.655
  714    HA   ALA 107           HA       ALA 107  -8.823   5.655   1.817
  715    HB1  ALA 107           1HB      ALA 107 -11.467   5.625   0.377
  716    HB2  ALA 107           2HB      ALA 107  -9.994   6.260  -0.361
  717    HB3  ALA 107           3HB      ALA 107 -10.074   4.569   0.136
  718    H    VAL 108           H        VAL 108  -7.980   7.654   1.767
  719    HA   VAL 108           HA       VAL 108  -9.699   9.823   2.671
  720    HB   VAL 108           HB       VAL 108  -7.244  10.969   2.599
  721   HG11  VAL 108          1HG1      VAL 108  -8.049  11.294   4.648
  722   HG12  VAL 108          2HG1      VAL 108  -8.997   9.808   4.590
  723   HG13  VAL 108          3HG1      VAL 108  -7.306   9.758   5.092
  724   HG21  VAL 108          3HG2      VAL 108  -6.678   8.174   3.547
  725   HG22  VAL 108          1HG2      VAL 108  -6.344   8.683   1.892
  726   HG23  VAL 108          2HG2      VAL 108  -5.538   9.487   3.240
  727    H    ASP 109           H        ASP 109  -8.600   8.590  -0.120
  728    HA   ASP 109           HA       ASP 109  -8.181  10.977  -1.637
  729    HB2  ASP 109           2HB      ASP 109  -7.249   9.069  -2.654
  730    HB3  ASP 109           1HB      ASP 109  -8.696   8.102  -2.373
  731    H    ASN 110           H        ASN 110  -9.671  12.290  -2.503
  732    HA   ASN 110           HA       ASN 110 -12.455  11.355  -2.602
  733    HB2  ASN 110           2HB      ASN 110 -11.337  13.748  -1.205
  734    HB3  ASN 110           1HB      ASN 110 -12.922  13.889  -1.957
  735   HD21  ASN 110          1HD2      ASN 110 -11.048  12.319   0.518
  736   HD22  ASN 110          2HD2      ASN 110 -12.388  11.706   1.419
  737    H    ALA 111           H        ALA 111 -10.166  11.910  -4.573
  738    HA   ALA 111           HA       ALA 111 -11.781  13.518  -6.412
  739    HB1  ALA 111           1HB      ALA 111  -9.041  14.314  -6.697
  740    HB2  ALA 111           2HB      ALA 111 -10.470  15.306  -6.406
  741    HB3  ALA 111           3HB      ALA 111  -9.592  14.604  -5.048
  742    H    GLY 112           H        GLY 112  -9.271  11.164  -5.866
  743    HA2  GLY 112           1HA      GLY 112  -8.833   9.395  -7.402
  744    HA3  GLY 112           2HA      GLY 112  -9.409  10.428  -8.710
  745    H    ALA 113           H        ALA 113  -7.056  11.016  -6.129
  746    HA   ALA 113           HA       ALA 113  -4.919  11.270  -8.107
  747    HB1  ALA 113           1HB      ALA 113  -5.309  13.478  -6.120
  748    HB2  ALA 113           2HB      ALA 113  -4.365  13.477  -7.610
  749    HB3  ALA 113           3HB      ALA 113  -6.126  13.512  -7.681
  750    H    GLY 114           H        GLY 114  -3.265  10.128  -7.362
  751    HA2  GLY 114           1HA      GLY 114  -2.104  10.565  -4.830
  752    HA3  GLY 114           2HA      GLY 114  -3.067   9.096  -4.781
  753    H    THR 115           H        THR 115  -0.673  10.655  -6.903
  754    HA   THR 115           HA       THR 115   0.462   8.132  -7.685
  755    HB   THR 115           HB       THR 115   2.290  10.207  -8.238
  756    HG1  THR 115           1HG      THR 115   0.906  11.853  -7.923
  757   HG21  THR 115          3HG2      THR 115   0.177   9.323 -10.175
  758   HG22  THR 115          1HG2      THR 115   1.430   8.205  -9.628
  759   HG23  THR 115          2HG2      THR 115   1.877   9.688 -10.469
  760    H    LYS 116           H        LYS 116   1.792  10.966  -5.990
  761    HA   LYS 116           HA       LYS 116   3.146   9.131  -4.134
  762    HB2  LYS 116           2HB      LYS 116   4.350  11.777  -4.953
  763    HB3  LYS 116           1HB      LYS 116   5.130  10.427  -4.142
  764    HG2  LYS 116           2HG      LYS 116   4.905   9.106  -6.223
  765    HG3  LYS 116           1HG      LYS 116   4.263  10.540  -7.024
  766    HD2  LYS 116           2HD      LYS 116   6.763  11.032  -5.605
  767    HD3  LYS 116           1HD      LYS 116   6.915   9.821  -6.881
  768    HE2  LYS 116           2HE      LYS 116   5.615  11.542  -8.327
  769    HE3  LYS 116           1HE      LYS 116   6.092  12.697  -7.083
  770    HZ1  LYS 116           3HZ      LYS 116   8.383  12.259  -7.515
  771    HZ2  LYS 116           1HZ      LYS 116   7.634  12.588  -9.002
  772    HZ3  LYS 116           2HZ      LYS 116   8.008  10.995  -8.576
  773    H    ALA 117           H        ALA 117   4.017  12.164  -3.325
  774    HA   ALA 117           HA       ALA 117   1.514  12.753  -1.895
  775    HB1  ALA 117           1HB      ALA 117   2.685  13.494  -0.021
  776    HB2  ALA 117           2HB      ALA 117   3.582  12.055  -0.511
  777    HB3  ALA 117           3HB      ALA 117   4.198  13.659  -0.911
  778    H    GLU 118           H        GLU 118   0.688  14.771  -2.173
  779    HA   GLU 118           HA       GLU 118   1.877  16.450  -4.182
  780    HB2  GLU 118           2HB      GLU 118  -0.547  16.194  -4.109
  781    HB3  GLU 118           1HB      GLU 118  -0.588  16.810  -2.462
  782    HG2  GLU 118           2HG      GLU 118  -1.174  18.696  -3.570
  783    HG3  GLU 118           1HG      GLU 118   0.577  18.890  -3.595
  Start of MODEL    6
    1    H1   SER   1           1H       SER   1  11.861  -7.760   2.974
    2    H2   SER   1           2H       SER   1  12.709  -9.170   2.569
    3    H3   SER   1           3H       SER   1  12.932  -7.764   1.656
    4    HA   SER   1           HA       SER   1  14.581  -7.152   2.938
    5    HB2  SER   1           2HB      SER   1  12.910  -7.536   5.416
    6    HB3  SER   1           1HB      SER   1  14.148  -6.321   5.094
    7    HG   SER   1           HG       SER   1  11.477  -6.443   4.180
    8    H    LEU   2           H        LEU   2  15.678  -7.859   5.293
    9    HA   LEU   2           HA       LEU   2  16.800 -10.366   4.872
   10    HB2  LEU   2           2HB      LEU   2  16.854  -8.324   6.952
   11    HB3  LEU   2           1HB      LEU   2  17.019  -9.941   7.607
   12    HG   LEU   2           HG       LEU   2  19.163  -8.675   7.057
   13   HD11  LEU   2          1HD1      LEU   2  20.219 -10.652   6.965
   14   HD12  LEU   2          2HD1      LEU   2  18.596 -11.320   7.147
   15   HD13  LEU   2          3HD1      LEU   2  19.317 -11.181   5.544
   16   HD21  LEU   2          3HD2      LEU   2  18.481  -7.795   4.885
   17   HD22  LEU   2          1HD2      LEU   2  19.926  -8.795   4.743
   18   HD23  LEU   2          2HD2      LEU   2  18.360  -9.438   4.252
   19    HA   PRO   3           HA       PRO   3  13.679 -13.257   6.097
   20    HB2  PRO   3           2HB      PRO   3  15.989 -14.964   6.839
   21    HB3  PRO   3           1HB      PRO   3  14.656 -15.293   5.729
   22    HG2  PRO   3           2HG      PRO   3  17.088 -14.757   4.803
   23    HG3  PRO   3           1HG      PRO   3  15.646 -14.127   3.985
   24    HD2  PRO   3           2HD      PRO   3  17.549 -12.724   5.818
   25    HD3  PRO   3           1HD      PRO   3  16.782 -12.136   4.327
   26    H    ALA   4           H        ALA   4  12.807 -12.358   7.933
   27    HA   ALA   4           HA       ALA   4  13.418 -13.699  10.391
   28    HB1  ALA   4           1HB      ALA   4  13.417 -10.798  10.865
   29    HB2  ALA   4           2HB      ALA   4  14.394 -12.068  11.603
   30    HB3  ALA   4           3HB      ALA   4  14.850 -11.404  10.035
   31    H    SER   5           H        SER   5  11.736 -13.306  11.997
   32    HA   SER   5           HA       SER   5   9.187 -12.822  10.775
   33    HB2  SER   5           2HB      SER   5   8.936 -13.008  13.597
   34    HB3  SER   5           1HB      SER   5   8.589 -14.252  12.393
   35    HG   SER   5           HG       SER   5  10.427 -15.215  12.842
   36    H    ALA   6           H        ALA   6  11.476 -10.775  11.853
   37    HA   ALA   6           HA       ALA   6   9.651  -8.864  13.116
   38    HB1  ALA   6           1HB      ALA   6  11.627  -9.254  14.389
   39    HB2  ALA   6           2HB      ALA   6  12.657  -8.992  12.982
   40    HB3  ALA   6           3HB      ALA   6  11.764  -7.643  13.685
   41    H    ALA   7           H        ALA   7   9.353  -9.282  10.348
   42    HA   ALA   7           HA       ALA   7  10.644  -7.045   9.019
   43    HB1  ALA   7           1HB      ALA   7  10.420  -9.004   7.691
   44    HB2  ALA   7           2HB      ALA   7   8.700  -9.134   8.058
   45    HB3  ALA   7           3HB      ALA   7   9.289  -7.814   7.047
   46    H    LYS   8           H        LYS   8   9.473  -5.790  10.891
   47    HA   LYS   8           HA       LYS   8   6.951  -4.754   9.779
   48    HB2  LYS   8           2HB      LYS   8   7.538  -5.739  12.517
   49    HB3  LYS   8           1HB      LYS   8   6.556  -4.286  12.395
   50    HG2  LYS   8           2HG      LYS   8   5.046  -5.546  10.843
   51    HG3  LYS   8           1HG      LYS   8   5.969  -6.998  11.237
   52    HD2  LYS   8           2HD      LYS   8   4.377  -7.216  12.837
   53    HD3  LYS   8           1HD      LYS   8   5.434  -6.110  13.720
   54    HE2  LYS   8           2HE      LYS   8   4.040  -4.262  12.546
   55    HE3  LYS   8           1HE      LYS   8   2.861  -5.551  12.295
   56    HZ1  LYS   8           3HZ      LYS   8   2.680  -4.113  14.392
   57    HZ2  LYS   8           1HZ      LYS   8   3.980  -5.035  14.979
   58    HZ3  LYS   8           2HZ      LYS   8   2.517  -5.791  14.559
   59    H    ASN   9           H        ASN   9  10.040  -4.038  10.294
   60    HA   ASN   9           HA       ASN   9   9.461  -1.213  10.858
   61    HB2  ASN   9           2HB      ASN   9  11.565  -1.013  12.075
   62    HB3  ASN   9           1HB      ASN   9  10.563  -2.259  12.808
   63   HD21  ASN   9          1HD2      ASN   9  13.615  -1.521  11.833
   64   HD22  ASN   9          2HD2      ASN   9  14.258  -3.120  11.682
   65    H    ALA  10           H        ALA  10   9.775  -2.769   8.363
   66    HA   ALA  10           HA       ALA  10  12.307  -1.823   7.284
   67    HB1  ALA  10           1HB      ALA  10  10.980  -2.971   5.185
   68    HB2  ALA  10           2HB      ALA  10  12.094  -3.804   6.269
   69    HB3  ALA  10           3HB      ALA  10  10.357  -3.876   6.565
   70    H    LYS  11           H        LYS  11  12.489  -0.294   5.657
   71    HA   LYS  11           HA       LYS  11  10.164   1.457   5.379
   72    HB2  LYS  11           2HB      LYS  11  13.095   1.878   4.771
   73    HB3  LYS  11           1HB      LYS  11  11.843   3.057   4.403
   74    HG2  LYS  11           2HG      LYS  11  11.572   2.279   7.126
   75    HG3  LYS  11           1HG      LYS  11  13.260   2.689   6.822
   76    HD2  LYS  11           2HD      LYS  11  12.016   4.717   5.538
   77    HD3  LYS  11           1HD      LYS  11  10.861   4.402   6.835
   78    HE2  LYS  11           2HE      LYS  11  12.531   4.756   8.502
   79    HE3  LYS  11           1HE      LYS  11  13.813   4.791   7.293
   80    HZ1  LYS  11           3HZ      LYS  11  11.737   6.831   7.827
   81    HZ2  LYS  11           1HZ      LYS  11  12.601   6.804   6.369
   82    HZ3  LYS  11           2HZ      LYS  11  13.421   7.012   7.845
   83    H    LEU  12           H        LEU  12   9.658   2.358   3.269
   84    HA   LEU  12           HA       LEU  12   9.567   0.282   1.283
   85    HB2  LEU  12           2HB      LEU  12   8.537   3.118   1.183
   86    HB3  LEU  12           1HB      LEU  12   8.183   1.874   0.004
   87    HG   LEU  12           HG       LEU  12   7.231   0.604   2.125
   88   HD11  LEU  12          1HD1      LEU  12   7.937   3.043   3.267
   89   HD12  LEU  12          2HD1      LEU  12   6.188   3.135   3.055
   90   HD13  LEU  12          3HD1      LEU  12   6.897   1.805   3.974
   91   HD21  LEU  12          3HD2      LEU  12   5.676   2.869   0.898
   92   HD22  LEU  12          1HD2      LEU  12   6.070   1.388   0.022
   93   HD23  LEU  12          2HD2      LEU  12   5.068   1.316   1.473
   94    H    ALA  13           H        ALA  13  12.091   0.554   1.368
   95    HA   ALA  13           HA       ALA  13  14.053   1.204   0.355
   96    HB1  ALA  13           1HB      ALA  13  13.930  -0.166  -1.374
   97    HB2  ALA  13           2HB      ALA  13  12.183   0.045  -1.476
   98    HB3  ALA  13           3HB      ALA  13  13.257   1.152  -2.331
   99    H    THR  14           H        THR  14  13.942   3.448   1.178
  100    HA   THR  14           HA       THR  14  14.168   5.696   0.951
  101    HB   THR  14           HB       THR  14  14.271   5.598  -2.022
  102    HG1  THR  14           1HG      THR  14  15.471   3.802  -1.746
  103   HG21  THR  14          3HG2      THR  14  15.644   7.001   0.230
  104   HG22  THR  14          1HG2      THR  14  14.883   7.675  -1.214
  105   HG23  THR  14          2HG2      THR  14  16.453   6.884  -1.331
  106    H    SER  15           H        SER  15  11.777   5.366   1.522
  107    HA   SER  15           HA       SER  15   9.867   6.033  -0.541
  108    HB2  SER  15           2HB      SER  15   8.821   6.130   2.149
  109    HB3  SER  15           1HB      SER  15   8.460   4.980   0.858
  110    HG   SER  15           HG       SER  15  10.289   3.801   1.469
  111    H    ALA  16           H        ALA  16  11.604   8.117  -0.442
  112    HA   ALA  16           HA       ALA  16  10.906  10.126   1.450
  113    HB1  ALA  16           1HB      ALA  16  12.470  11.426   0.435
  114    HB2  ALA  16           2HB      ALA  16  12.974   9.872  -0.233
  115    HB3  ALA  16           3HB      ALA  16  11.962  10.957  -1.187
  116    H    ALA  17           H        ALA  17  10.134   9.687  -1.986
  117    HA   ALA  17           HA       ALA  17   8.216  11.693  -2.228
  118    HB1  ALA  17           1HB      ALA  17   7.964  10.906  -4.312
  119    HB2  ALA  17           2HB      ALA  17   9.320   9.852  -3.901
  120    HB3  ALA  17           3HB      ALA  17   7.664   9.258  -3.761
  121    H    PHE  18           H        PHE  18   7.934   8.446  -0.939
  122    HA   PHE  18           HA       PHE  18   5.086   8.393  -0.868
  123    HB2  PHE  18           2HB      PHE  18   6.527   6.345  -0.765
  124    HB3  PHE  18           1HB      PHE  18   7.003   6.810   0.867
  125    HD1  PHE  18           2HD      PHE  18   3.731   6.714  -0.934
  126    HD2  PHE  18           1HD      PHE  18   6.004   5.421   2.430
  127    HE1  PHE  18           2HE      PHE  18   1.750   5.570  -0.042
  128    HE2  PHE  18           1HE      PHE  18   4.014   4.279   3.331
  129    HZ   PHE  18           HZ       PHE  18   1.888   4.352   2.093
  130    H    ALA  19           H        ALA  19   7.579   9.103   1.538
  131    HA   ALA  19           HA       ALA  19   5.769   9.656   3.646
  132    HB1  ALA  19           1HB      ALA  19   8.631   9.766   3.205
  133    HB2  ALA  19           2HB      ALA  19   8.049  11.039   4.278
  134    HB3  ALA  19           3HB      ALA  19   7.718   9.345   4.652
  135    H    LYS  20           H        LYS  20   6.938  11.567   0.997
  136    HA   LYS  20           HA       LYS  20   6.389  14.141   2.077
  137    HB2  LYS  20           2HB      LYS  20   6.810  13.013  -0.659
  138    HB3  LYS  20           1HB      LYS  20   6.104  14.616  -0.521
  139    HG2  LYS  20           2HG      LYS  20   8.043  15.435   0.626
  140    HG3  LYS  20           1HG      LYS  20   8.724  13.810   0.725
  141    HD2  LYS  20           2HD      LYS  20   8.147  14.317  -2.001
  142    HD3  LYS  20           1HD      LYS  20   8.988  15.736  -1.367
  143    HE2  LYS  20           2HE      LYS  20  10.822  14.408  -0.628
  144    HE3  LYS  20           1HE      LYS  20   9.949  12.912  -0.965
  145    HZ1  LYS  20           3HZ      LYS  20  11.449  14.617  -2.743
  146    HZ2  LYS  20           1HZ      LYS  20   9.945  14.134  -3.368
  147    HZ3  LYS  20           2HZ      LYS  20  11.077  12.966  -2.886
  148    H    GLN  21           H        GLN  21   4.543  11.611   0.742
  149    HA   GLN  21           HA       GLN  21   2.153  13.224   0.369
  150    HB2  GLN  21           2HB      GLN  21   3.212  11.005  -0.891
  151    HB3  GLN  21           1HB      GLN  21   1.927  10.325   0.094
  152    HG2  GLN  21           2HG      GLN  21   0.396  12.052  -0.920
  153    HG3  GLN  21           1HG      GLN  21   1.716  12.446  -2.022
  154   HE21  GLN  21          1HE2      GLN  21   1.425   9.184  -1.023
  155   HE22  GLN  21          2HE2      GLN  21   0.733   8.564  -2.479
  156    H    ALA  22           H        ALA  22   3.451  10.689   2.426
  157    HA   ALA  22           HA       ALA  22   1.064  10.054   3.800
  158    HB1  ALA  22           1HB      ALA  22   3.265   9.483   5.473
  159    HB2  ALA  22           2HB      ALA  22   2.361   8.375   4.439
  160    HB3  ALA  22           3HB      ALA  22   3.785   9.205   3.811
  161    H    GLU  23           H        GLU  23   3.205  12.712   4.093
  162    HA   GLU  23           HA       GLU  23   2.476  13.252   6.847
  163    HB2  GLU  23           2HB      GLU  23   4.072  14.940   6.839
  164    HB3  GLU  23           1HB      GLU  23   4.754  13.765   5.725
  165    HG2  GLU  23           2HG      GLU  23   4.735  15.212   4.044
  166    HG3  GLU  23           1HG      GLU  23   3.069  15.692   4.373
  167    H    GLY  24           H        GLY  24   1.083  13.716   3.865
  168    HA2  GLY  24           1HA      GLY  24  -0.394  16.102   4.765
  169    HA3  GLY  24           2HA      GLY  24  -0.277  15.554   3.095
  170    H    THR  25           H        THR  25  -0.624  12.876   4.952
  171    HA   THR  25           HA       THR  25  -3.553  12.867   4.625
  172    HB   THR  25           HB       THR  25  -2.759  10.213   4.831
  173    HG1  THR  25           1HG      THR  25  -0.925  11.662   3.180
  174   HG21  THR  25          3HG2      THR  25  -4.465  11.253   3.319
  175   HG22  THR  25          1HG2      THR  25  -3.459  10.032   2.543
  176   HG23  THR  25          2HG2      THR  25  -3.144  11.743   2.259
  177    H    THR  26           H        THR  26  -4.688  12.707   6.493
  178    HA   THR  26           HA       THR  26  -3.299  12.497   8.979
  179    HB   THR  26           HB       THR  26  -6.156  12.107   9.229
  180    HG1  THR  26           1HG      THR  26  -6.770  13.293   7.585
  181   HG21  THR  26          3HG2      THR  26  -4.045  13.566  10.422
  182   HG22  THR  26          1HG2      THR  26  -5.705  13.399  10.992
  183   HG23  THR  26          2HG2      THR  26  -5.267  14.737   9.932
  184    H    CYS  27           H        CYS  27  -2.345  10.527   9.133
  185    HA   CYS  27           HA       CYS  27  -4.055   8.329   9.930
  186    HB2  CYS  27           2HB      CYS  27  -1.892   7.860   7.864
  187    HB3  CYS  27           1HB      CYS  27  -3.041   6.688   8.490
  188    H    ASN  28           H        ASN  28  -2.342   6.409  10.504
  189    HA   ASN  28           HA       ASN  28  -0.165   7.685  12.029
  190    HB2  ASN  28           2HB      ASN  28  -1.979   6.519  13.359
  191    HB3  ASN  28           1HB      ASN  28  -1.463   5.013  12.605
  192   HD21  ASN  28          1HD2      ASN  28  -0.760   7.421  14.970
  193   HD22  ASN  28          2HD2      ASN  28   0.594   6.610  15.704
  194    H    VAL  29           H        VAL  29   1.868   6.609  12.051
  195    HA   VAL  29           HA       VAL  29   2.703   5.564   9.598
  196    HB   VAL  29           HB       VAL  29   4.030   5.253  12.298
  197   HG11  VAL  29          1HG1      VAL  29   4.708   3.853  10.099
  198   HG12  VAL  29          2HG1      VAL  29   5.640   5.326   9.824
  199   HG13  VAL  29          3HG1      VAL  29   5.876   4.396  11.306
  200   HG21  VAL  29          3HG2      VAL  29   3.476   7.598  11.255
  201   HG22  VAL  29          1HG2      VAL  29   5.052   7.293  11.983
  202   HG23  VAL  29          2HG2      VAL  29   4.864   7.237  10.230
  203    H    GLY  30           H        GLY  30   1.755   3.904  12.574
  204    HA2  GLY  30           1HA      GLY  30   2.377   1.287  11.516
  205    HA3  GLY  30           2HA      GLY  30   1.594   1.641  13.048
  206    H    SER  31           H        SER  31   0.078   3.316  10.589
  207    HA   SER  31           HA       SER  31  -1.701   1.124   9.853
  208    HB2  SER  31           2HB      SER  31  -3.147   3.596  10.554
  209    HB3  SER  31           1HB      SER  31  -3.571   1.915  10.868
  210    HG   SER  31           HG       SER  31  -1.851   2.030  12.525
  211    H    ILE  32           H        ILE  32   0.299   2.649   8.431
  212    HA   ILE  32           HA       ILE  32  -1.298   4.332   6.655
  213    HB   ILE  32           HB       ILE  32   1.299   4.635   7.598
  214   HG12  ILE  32          2HG1      ILE  32   0.703   6.109   5.136
  215   HG13  ILE  32          1HG1      ILE  32  -0.621   6.107   6.297
  216   HG21  ILE  32          1HG2      ILE  32   1.768   2.912   5.640
  217   HG22  ILE  32          2HG2      ILE  32   1.713   4.386   4.675
  218   HG23  ILE  32          3HG2      ILE  32   2.865   4.243   6.003
  219   HD11  ILE  32          3HD1      ILE  32   0.592   7.261   7.875
  220   HD12  ILE  32          1HD1      ILE  32   2.145   6.781   7.186
  221   HD13  ILE  32          2HD1      ILE  32   1.149   7.984   6.366
  222    H    ALA  33           H        ALA  33  -1.742   3.800   4.560
  223    HA   ALA  33           HA       ALA  33  -0.615   1.361   3.458
  224    HB1  ALA  33           1HB      ALA  33  -3.541   1.306   3.349
  225    HB2  ALA  33           2HB      ALA  33  -2.391   0.010   3.673
  226    HB3  ALA  33           3HB      ALA  33  -2.871   1.109   4.968
  227    H    CYS  34           H        CYS  34  -1.550   0.883   1.283
  228    HA   CYS  34           HA       CYS  34  -2.406   3.337  -0.093
  229    HB2  CYS  34           2HB      CYS  34  -0.092   2.177  -0.621
  230    HB3  CYS  34           1HB      CYS  34  -1.105   1.089  -1.566
  231    H    CYS  35           H        CYS  35  -4.113   3.187  -1.499
  232    HA   CYS  35           HA       CYS  35  -5.498   0.595  -1.607
  233    HB2  CYS  35           2HB      CYS  35  -6.385   3.127  -0.494
  234    HB3  CYS  35           1HB      CYS  35  -7.468   2.569  -1.764
  235    H    ASN  36           H        ASN  36  -6.875   0.307  -3.458
  236    HA   ASN  36           HA       ASN  36  -6.783   2.214  -5.613
  237    HB2  ASN  36           2HB      ASN  36  -4.611   0.842  -5.740
  238    HB3  ASN  36           1HB      ASN  36  -5.638  -0.515  -6.195
  239   HD21  ASN  36          1HD2      ASN  36  -4.456  -0.522  -8.200
  240   HD22  ASN  36          2HD2      ASN  36  -4.928   0.569  -9.459
  241    H    SER  37           H        SER  37  -8.086   1.498  -7.458
  242    HA   SER  37           HA       SER  37 -10.582   0.575  -6.624
  243    HB2  SER  37           2HB      SER  37  -9.687   0.514  -9.493
  244    HB3  SER  37           1HB      SER  37 -11.271   0.926  -8.837
  245    HG   SER  37           HG       SER  37  -9.018   2.494  -9.156
  246    HA   PRO  38           HA       PRO  38 -10.389  -3.775  -6.610
  247    HB2  PRO  38           2HB      PRO  38 -12.913  -4.422  -7.462
  248    HB3  PRO  38           1HB      PRO  38 -12.539  -3.839  -5.836
  249    HG2  PRO  38           2HG      PRO  38 -13.619  -2.350  -8.188
  250    HG3  PRO  38           1HG      PRO  38 -14.065  -2.219  -6.478
  251    HD2  PRO  38           2HD      PRO  38 -12.455  -0.423  -7.696
  252    HD3  PRO  38           1HD      PRO  38 -12.272  -0.852  -5.984
  253    H    ALA  39           H        ALA  39 -11.344  -2.230  -9.609
  254    HA   ALA  39           HA       ALA  39 -11.513  -4.580 -11.190
  255    HB1  ALA  39           1HB      ALA  39 -11.590  -3.107 -13.092
  256    HB2  ALA  39           2HB      ALA  39 -12.545  -2.403 -11.789
  257    HB3  ALA  39           3HB      ALA  39 -10.936  -1.774 -12.139
  258    H    GLU  40           H        GLU  40  -8.893  -2.983  -9.846
  259    HA   GLU  40           HA       GLU  40  -7.020  -4.132 -11.799
  260    HB2  GLU  40           2HB      GLU  40  -6.496  -2.041  -9.674
  261    HB3  GLU  40           1HB      GLU  40  -5.354  -2.597 -10.889
  262    HG2  GLU  40           2HG      GLU  40  -6.033  -0.777 -11.998
  263    HG3  GLU  40           1HG      GLU  40  -7.382  -1.807 -12.471
  264    H    THR  41           H        THR  41  -7.521  -3.708  -8.305
  265    HA   THR  41           HA       THR  41  -5.420  -5.450  -7.560
  266    HB   THR  41           HB       THR  41  -6.579  -3.572  -6.189
  267    HG1  THR  41           1HG      THR  41  -5.804  -6.066  -5.042
  268   HG21  THR  41          3HG2      THR  41  -8.732  -5.282  -6.306
  269   HG22  THR  41          1HG2      THR  41  -8.525  -3.962  -5.153
  270   HG23  THR  41          2HG2      THR  41  -8.058  -5.603  -4.709
  271    H    ASN  42           H        ASN  42  -8.666  -6.061  -8.546
  272    HA   ASN  42           HA       ASN  42  -8.590  -8.747  -7.351
  273    HB2  ASN  42           2HB      ASN  42 -10.723  -6.833  -7.939
  274    HB3  ASN  42           1HB      ASN  42 -11.085  -8.468  -8.469
  275   HD21  ASN  42          1HD2      ASN  42  -9.985  -6.597  -5.705
  276   HD22  ASN  42          2HD2      ASN  42 -10.689  -7.616  -4.499
  277    H    ASN  43           H        ASN  43  -7.600  -7.395 -10.104
  278    HA   ASN  43           HA       ASN  43  -8.962  -8.943 -12.078
  279    HB2  ASN  43           2HB      ASN  43  -7.535  -6.709 -12.279
  280    HB3  ASN  43           1HB      ASN  43  -6.249  -7.855 -12.650
  281   HD21  ASN  43          1HD2      ASN  43  -8.649  -6.014 -13.931
  282   HD22  ASN  43          2HD2      ASN  43  -8.850  -6.828 -15.445
  283    H    ASP  44           H        ASP  44  -5.765  -9.212 -10.559
  284    HA   ASP  44           HA       ASP  44  -5.123 -11.649 -11.938
  285    HB2  ASP  44           2HB      ASP  44  -3.406 -10.022 -11.096
  286    HB3  ASP  44           1HB      ASP  44  -3.833 -10.486  -9.455
  287    H    SER  45           H        SER  45  -5.497 -13.681 -11.320
  288    HA   SER  45           HA       SER  45  -7.390 -14.306  -9.344
  289    HB2  SER  45           2HB      SER  45  -5.800 -16.595  -9.910
  290    HB3  SER  45           1HB      SER  45  -7.390 -16.189 -10.560
  291    HG   SER  45           HG       SER  45  -4.910 -16.011 -11.734
  292    H    LEU  46           H        LEU  46  -3.953 -13.905  -9.237
  293    HA   LEU  46           HA       LEU  46  -3.708 -15.202  -6.650
  294    HB2  LEU  46           2HB      LEU  46  -1.927 -15.090  -8.544
  295    HB3  LEU  46           1HB      LEU  46  -1.593 -13.490  -7.906
  296    HG   LEU  46           HG       LEU  46  -0.944 -14.397  -5.777
  297   HD11  LEU  46          1HD1      LEU  46  -1.807 -16.282  -5.014
  298   HD12  LEU  46          2HD1      LEU  46  -2.545 -16.595  -6.585
  299   HD13  LEU  46          3HD1      LEU  46  -0.920 -17.186  -6.241
  300   HD21  LEU  46          3HD2      LEU  46   1.087 -14.856  -6.546
  301   HD22  LEU  46          1HD2      LEU  46   0.540 -16.371  -7.263
  302   HD23  LEU  46          2HD2      LEU  46   0.405 -14.866  -8.171
  303    H    LEU  47           H        LEU  47  -4.036 -12.005  -7.997
  304    HA   LEU  47           HA       LEU  47  -3.144 -10.526  -5.769
  305    HB2  LEU  47           2HB      LEU  47  -4.138  -9.974  -8.344
  306    HB3  LEU  47           1HB      LEU  47  -5.194  -9.128  -7.227
  307    HG   LEU  47           HG       LEU  47  -3.504  -7.590  -7.840
  308   HD11  LEU  47          1HD1      LEU  47  -4.038  -7.885  -5.352
  309   HD12  LEU  47          2HD1      LEU  47  -2.445  -8.636  -5.235
  310   HD13  LEU  47          3HD1      LEU  47  -2.597  -6.965  -5.783
  311   HD21  LEU  47          3HD2      LEU  47  -1.294  -8.042  -8.171
  312   HD22  LEU  47          1HD2      LEU  47  -1.253  -9.318  -6.955
  313   HD23  LEU  47          2HD2      LEU  47  -1.976  -9.627  -8.534
  314    H    SER  48           H        SER  48  -6.256 -11.900  -6.615
  315    HA   SER  48           HA       SER  48  -7.810 -10.539  -4.696
  316    HB2  SER  48           2HB      SER  48  -8.925 -13.107  -5.113
  317    HB3  SER  48           1HB      SER  48  -9.387 -11.588  -5.881
  318    HG   SER  48           HG       SER  48  -8.147 -12.043  -7.600
  319    H    GLY  49           H        GLY  49  -5.532 -13.087  -4.408
  320    HA2  GLY  49           1HA      GLY  49  -6.402 -13.638  -1.650
  321    HA3  GLY  49           2HA      GLY  49  -5.250 -14.596  -2.568
  322    H    LEU  50           H        LEU  50  -3.839 -12.250  -3.553
  323    HA   LEU  50           HA       LEU  50  -1.852 -11.973  -1.612
  324    HB2  LEU  50           2HB      LEU  50  -2.411 -10.950  -4.254
  325    HB3  LEU  50           1HB      LEU  50  -1.725  -9.695  -3.242
  326    HG   LEU  50           HG       LEU  50   0.197 -11.177  -2.750
  327   HD11  LEU  50          1HD1      LEU  50   0.348 -13.077  -4.578
  328   HD12  LEU  50          2HD1      LEU  50  -0.395 -13.360  -3.003
  329   HD13  LEU  50          3HD1      LEU  50  -1.408 -13.035  -4.411
  330   HD21  LEU  50          3HD2      LEU  50  -0.506 -10.108  -5.388
  331   HD22  LEU  50          1HD2      LEU  50   0.925  -9.833  -4.395
  332   HD23  LEU  50          2HD2      LEU  50   0.806 -11.285  -5.390
  333    H    LEU  51           H        LEU  51  -4.675  -9.996  -2.340
  334    HA   LEU  51           HA       LEU  51  -3.920  -7.843  -0.620
  335    HB2  LEU  51           2HB      LEU  51  -6.269  -7.087  -0.917
  336    HB3  LEU  51           1HB      LEU  51  -5.404  -7.344  -2.417
  337    HG   LEU  51           HG       LEU  51  -6.605  -9.716  -2.283
  338   HD11  LEU  51          1HD1      LEU  51  -8.044  -8.007  -0.359
  339   HD12  LEU  51          2HD1      LEU  51  -9.045  -8.901  -1.503
  340   HD13  LEU  51          3HD1      LEU  51  -7.921  -9.763  -0.450
  341   HD21  LEU  51          3HD2      LEU  51  -6.860  -7.456  -3.786
  342   HD22  LEU  51          1HD2      LEU  51  -7.746  -8.957  -4.058
  343   HD23  LEU  51          2HD2      LEU  51  -8.491  -7.645  -3.142
  344    H    GLY  52           H        GLY  52  -5.017 -10.940   0.004
  345    HA2  GLY  52           1HA      GLY  52  -6.216 -10.120   2.568
  346    HA3  GLY  52           2HA      GLY  52  -6.613 -11.608   1.723
  347    H    ALA  53           H        ALA  53  -3.783  -9.926   3.079
  348    HA   ALA  53           HA       ALA  53  -2.371 -12.399   3.448
  349    HB1  ALA  53           1HB      ALA  53  -1.761  -9.538   4.119
  350    HB2  ALA  53           2HB      ALA  53  -0.734 -10.855   4.686
  351    HB3  ALA  53           3HB      ALA  53  -0.965 -10.599   2.956
  352    H    GLY  54           H        GLY  54  -4.356 -13.169   4.764
  353    HA2  GLY  54           1HA      GLY  54  -4.588 -14.255   6.834
  354    HA3  GLY  54           2HA      GLY  54  -3.480 -13.095   7.545
  355    H    LEU  55           H        LEU  55  -6.771 -13.580   6.412
  356    HA   LEU  55           HA       LEU  55  -8.775 -12.802   7.137
  357    HB2  LEU  55           2HB      LEU  55  -7.346 -13.229   9.393
  358    HB3  LEU  55           1HB      LEU  55  -7.716 -11.526   9.577
  359    HG   LEU  55           HG       LEU  55 -10.158 -12.197   9.156
  360   HD11  LEU  55          1HD1      LEU  55  -9.800 -14.416   8.298
  361   HD12  LEU  55          2HD1      LEU  55  -8.966 -14.892   9.777
  362   HD13  LEU  55          3HD1      LEU  55 -10.688 -14.517   9.817
  363   HD21  LEU  55          3HD2      LEU  55  -8.496 -12.494  11.561
  364   HD22  LEU  55          1HD2      LEU  55  -9.974 -11.567  11.306
  365   HD23  LEU  55          2HD2      LEU  55 -10.065 -13.296  11.632
  366    H    LEU  56           H        LEU  56  -6.752 -10.994   5.768
  367    HA   LEU  56           HA       LEU  56  -7.007  -8.339   6.464
  368    HB2  LEU  56           2HB      LEU  56  -6.056  -9.815   4.280
  369    HB3  LEU  56           1HB      LEU  56  -7.208  -8.683   3.603
  370    HG   LEU  56           HG       LEU  56  -5.003  -7.740   3.490
  371   HD11  LEU  56          1HD1      LEU  56  -5.667  -5.966   5.569
  372   HD12  LEU  56          2HD1      LEU  56  -5.971  -5.789   3.841
  373   HD13  LEU  56          3HD1      LEU  56  -7.179  -6.550   4.874
  374   HD21  LEU  56          3HD2      LEU  56  -3.671  -7.302   5.485
  375   HD22  LEU  56          1HD2      LEU  56  -4.885  -8.110   6.477
  376   HD23  LEU  56          2HD2      LEU  56  -3.969  -9.028   5.284
  377    H    ASN  57           H        ASN  57  -8.432  -6.689   5.986
  378    HA   ASN  57           HA       ASN  57 -11.067  -7.489   4.963
  379    HB2  ASN  57           2HB      ASN  57 -10.733  -6.593   7.409
  380    HB3  ASN  57           1HB      ASN  57 -10.632  -5.024   6.618
  381   HD21  ASN  57          1HD2      ASN  57 -12.585  -5.391   8.392
  382   HD22  ASN  57          2HD2      ASN  57 -14.116  -5.526   7.611
  383    H    GLY  58           H        GLY  58 -12.182  -5.179   4.300
  384    HA2  GLY  58           1HA      GLY  58 -10.387  -4.215   2.161
  385    HA3  GLY  58           2HA      GLY  58 -12.134  -4.343   2.015
  386    H    LEU  59           H        LEU  59 -12.069  -2.124   1.335
  387    HA   LEU  59           HA       LEU  59 -11.303  -0.091   3.204
  388    HB2  LEU  59           2HB      LEU  59 -11.075   0.713   1.086
  389    HB3  LEU  59           1HB      LEU  59 -12.416  -0.227   0.469
  390    HG   LEU  59           HG       LEU  59 -13.899   1.457   1.766
  391   HD11  LEU  59          1HD1      LEU  59 -13.019   3.384   2.532
  392   HD12  LEU  59          2HD1      LEU  59 -11.545   2.424   2.665
  393   HD13  LEU  59          3HD1      LEU  59 -11.801   3.455   1.256
  394   HD21  LEU  59          3HD2      LEU  59 -14.134   2.706  -0.184
  395   HD22  LEU  59          1HD2      LEU  59 -12.421   2.567  -0.585
  396   HD23  LEU  59          2HD2      LEU  59 -13.481   1.165  -0.744
  397    H    SER  60           H        SER  60 -12.573   1.105   4.520
  398    HA   SER  60           HA       SER  60 -14.701  -0.099   5.786
  399    HB2  SER  60           2HB      SER  60 -14.015   2.847   5.710
  400    HB3  SER  60           1HB      SER  60 -15.042   2.071   6.911
  401    HG   SER  60           HG       SER  60 -12.645   2.415   7.329
  402    H    GLY  61           H        GLY  61 -16.537  -0.669   4.811
  403    HA2  GLY  61           1HA      GLY  61 -18.779  -0.127   4.384
  404    HA3  GLY  61           2HA      GLY  61 -18.295   1.529   4.059
  405    H    ASN  62           H        ASN  62 -16.149   0.042   2.241
  406    HA   ASN  62           HA       ASN  62 -17.999  -0.336  -0.013
  407    HB2  ASN  62           2HB      ASN  62 -16.840   1.926  -0.024
  408    HB3  ASN  62           1HB      ASN  62 -15.338   1.049  -0.310
  409   HD21  ASN  62          1HD2      ASN  62 -14.820   0.586  -2.333
  410   HD22  ASN  62          2HD2      ASN  62 -15.887   0.685  -3.690
  411    H    THR  63           H        THR  63 -17.836  -2.287  -0.728
  412    HA   THR  63           HA       THR  63 -15.623  -3.989  -0.124
  413    HB   THR  63           HB       THR  63 -17.385  -5.099  -2.102
  414    HG1  THR  63           1HG      THR  63 -18.661  -3.862   0.145
  415   HG21  THR  63          3HG2      THR  63 -18.082  -6.398   0.085
  416   HG22  THR  63          1HG2      THR  63 -16.667  -5.580   0.753
  417   HG23  THR  63          2HG2      THR  63 -16.495  -6.641  -0.645
  418    H    GLY  64           H        GLY  64 -14.431  -5.206  -1.766
  419    HA2  GLY  64           1HA      GLY  64 -13.624  -5.527  -3.960
  420    HA3  GLY  64           2HA      GLY  64 -14.349  -3.997  -4.427
  421    H    SER  65           H        SER  65 -13.303  -2.362  -2.408
  422    HA   SER  65           HA       SER  65 -10.657  -1.982  -3.492
  423    HB2  SER  65           2HB      SER  65 -11.663  -0.272  -1.278
  424    HB3  SER  65           1HB      SER  65 -10.846   0.183  -2.775
  425    HG   SER  65           HG       SER  65 -13.100  -0.816  -3.555
  426    H    ALA  66           H        ALA  66  -8.934  -2.899  -2.657
  427    HA   ALA  66           HA       ALA  66  -8.922  -3.660   0.184
  428    HB1  ALA  66           1HB      ALA  66  -7.691  -5.506  -0.331
  429    HB2  ALA  66           2HB      ALA  66  -8.504  -5.297  -1.883
  430    HB3  ALA  66           3HB      ALA  66  -6.856  -4.710  -1.667
  431    H    CYS  67           H        CYS  67  -7.199  -3.051   1.507
  432    HA   CYS  67           HA       CYS  67  -5.446  -0.999   0.328
  433    HB2  CYS  67           2HB      CYS  67  -7.216  -0.879   2.577
  434    HB3  CYS  67           1HB      CYS  67  -5.562  -0.655   3.134
  435    H    ALA  68           H        ALA  68  -3.324  -1.290   0.479
  436    HA   ALA  68           HA       ALA  68  -2.362  -3.521   2.155
  437    HB1  ALA  68           1HB      ALA  68  -1.948  -2.889  -0.618
  438    HB2  ALA  68           2HB      ALA  68  -0.410  -2.941   0.243
  439    HB3  ALA  68           3HB      ALA  68  -1.488  -4.334   0.284
  440    H    LYS  69           H        LYS  69  -0.891  -3.121   3.648
  441    HA   LYS  69           HA       LYS  69   0.078  -0.381   3.920
  442    HB2  LYS  69           2HB      LYS  69   0.895  -1.587   6.193
  443    HB3  LYS  69           1HB      LYS  69  -0.689  -0.847   6.007
  444    HG2  LYS  69           2HG      LYS  69  -0.361  -3.711   5.265
  445    HG3  LYS  69           1HG      LYS  69  -0.416  -3.273   6.975
  446    HD2  LYS  69           2HD      LYS  69  -2.601  -2.656   6.888
  447    HD3  LYS  69           1HD      LYS  69  -2.481  -2.068   5.227
  448    HE2  LYS  69           2HE      LYS  69  -2.498  -4.348   4.395
  449    HE3  LYS  69           1HE      LYS  69  -2.531  -4.972   6.045
  450    HZ1  LYS  69           3HZ      LYS  69  -4.732  -4.990   5.708
  451    HZ2  LYS  69           1HZ      LYS  69  -4.673  -3.869   4.437
  452    HZ3  LYS  69           2HZ      LYS  69  -4.646  -3.338   6.051
  453    H    ALA  70           H        ALA  70   2.376  -0.314   4.987
  454    HA   ALA  70           HA       ALA  70   4.208  -1.181   3.068
  455    HB1  ALA  70           1HB      ALA  70   4.629  -0.261   5.902
  456    HB2  ALA  70           2HB      ALA  70   5.948  -0.574   4.774
  457    HB3  ALA  70           3HB      ALA  70   4.768   0.688   4.423
  458    H    SER  71           H        SER  71   3.063  -2.733   5.980
  459    HA   SER  71           HA       SER  71   5.037  -4.737   6.179
  460    HB2  SER  71           2HB      SER  71   2.571  -5.747   7.144
  461    HB3  SER  71           1HB      SER  71   3.887  -5.031   8.079
  462    HG   SER  71           HG       SER  71   2.369  -3.607   8.519
  463    H    LEU  72           H        LEU  72   2.225  -4.372   4.161
  464    HA   LEU  72           HA       LEU  72   2.206  -7.176   3.393
  465    HB2  LEU  72           2HB      LEU  72   0.374  -4.953   3.200
  466    HB3  LEU  72           1HB      LEU  72   0.563  -5.734   1.639
  467    HG   LEU  72           HG       LEU  72  -0.007  -7.906   2.688
  468   HD11  LEU  72          1HD1      LEU  72  -0.545  -8.165   4.892
  469   HD12  LEU  72          2HD1      LEU  72   0.699  -6.919   5.012
  470   HD13  LEU  72          3HD1      LEU  72  -1.006  -6.473   5.096
  471   HD21  LEU  72          3HD2      LEU  72  -2.163  -5.904   3.281
  472   HD22  LEU  72          1HD2      LEU  72  -1.692  -6.313   1.632
  473   HD23  LEU  72          2HD2      LEU  72  -2.330  -7.561   2.704
  474    H    ILE  73           H        ILE  73   3.655  -4.269   2.423
  475    HA   ILE  73           HA       ILE  73   4.025  -4.759  -0.320
  476    HB   ILE  73           HB       ILE  73   5.127  -2.919   1.680
  477   HG12  ILE  73          2HG1      ILE  73   5.152  -1.616  -0.698
  478   HG13  ILE  73          1HG1      ILE  73   3.974  -2.878  -1.037
  479   HG21  ILE  73          1HG2      ILE  73   7.009  -4.253   0.009
  480   HG22  ILE  73          2HG2      ILE  73   6.875  -2.574  -0.512
  481   HG23  ILE  73          3HG2      ILE  73   7.284  -2.947   1.163
  482   HD11  ILE  73          3HD1      ILE  73   2.937  -2.108   1.231
  483   HD12  ILE  73          1HD1      ILE  73   3.836  -0.626   0.906
  484   HD13  ILE  73          2HD1      ILE  73   2.632  -1.200  -0.249
  485    H    ASP  74           H        ASP  74   5.917  -5.663   2.534
  486    HA   ASP  74           HA       ASP  74   7.813  -7.141   0.896
  487    HB2  ASP  74           2HB      ASP  74   8.202  -5.792   3.174
  488    HB3  ASP  74           1HB      ASP  74   7.835  -7.371   3.864
  489    H    GLN  75           H        GLN  75   4.845  -7.665   2.360
  490    HA   GLN  75           HA       GLN  75   5.207 -10.402   3.129
  491    HB2  GLN  75           2HB      GLN  75   3.304  -8.446   3.625
  492    HB3  GLN  75           1HB      GLN  75   2.452  -9.601   2.615
  493    HG2  GLN  75           2HG      GLN  75   2.246  -9.955   5.078
  494    HG3  GLN  75           1HG      GLN  75   2.804 -11.351   4.156
  495   HE21  GLN  75          1HE2      GLN  75   4.603  -8.495   5.201
  496   HE22  GLN  75          2HE2      GLN  75   5.739  -9.360   6.168
  497    H    LEU  76           H        LEU  76   3.471  -8.792   0.480
  498    HA   LEU  76           HA       LEU  76   3.566 -11.337  -0.998
  499    HB2  LEU  76           2HB      LEU  76   1.290  -9.531  -0.429
  500    HB3  LEU  76           1HB      LEU  76   1.365 -10.214  -2.040
  501    HG   LEU  76           HG       LEU  76   0.058 -11.783  -1.009
  502   HD11  LEU  76          1HD1      LEU  76   2.109 -13.372   0.126
  503   HD12  LEU  76          2HD1      LEU  76   1.334 -13.541  -1.449
  504   HD13  LEU  76          3HD1      LEU  76   2.780 -12.547  -1.280
  505   HD21  LEU  76          3HD2      LEU  76   1.105 -10.609   1.370
  506   HD22  LEU  76          1HD2      LEU  76  -0.348 -11.588   1.164
  507   HD23  LEU  76          2HD2      LEU  76   1.197 -12.365   1.506
  508    H    GLY  77           H        GLY  77   3.765  -7.847  -1.089
  509    HA2  GLY  77           1HA      GLY  77   4.779  -6.482  -2.658
  510    HA3  GLY  77           2HA      GLY  77   5.287  -7.929  -3.515
  511    H    LEU  78           H        LEU  78   2.112  -6.614  -2.695
  512    HA   LEU  78           HA       LEU  78   1.025  -7.348  -5.240
  513    HB2  LEU  78           2HB      LEU  78  -0.711  -5.532  -3.937
  514    HB3  LEU  78           1HB      LEU  78  -0.863  -7.273  -4.075
  515    HG   LEU  78           HG       LEU  78   0.655  -7.391  -2.009
  516   HD11  LEU  78          1HD1      LEU  78   1.411  -5.510  -1.137
  517   HD12  LEU  78          2HD1      LEU  78   0.579  -4.582  -2.387
  518   HD13  LEU  78          3HD1      LEU  78  -0.244  -4.961  -0.874
  519   HD21  LEU  78          3HD2      LEU  78  -1.882  -6.117  -1.215
  520   HD22  LEU  78          1HD2      LEU  78  -2.002  -7.497  -2.308
  521   HD23  LEU  78          2HD2      LEU  78  -1.192  -7.674  -0.751
  522    H    LEU  79           H        LEU  79   1.952  -6.226  -6.899
  523    HA   LEU  79           HA       LEU  79   2.432  -3.408  -6.777
  524    HB2  LEU  79           2HB      LEU  79   2.814  -3.755  -9.307
  525    HB3  LEU  79           1HB      LEU  79   3.920  -4.509  -8.173
  526    HG   LEU  79           HG       LEU  79   1.724  -6.290  -8.843
  527   HD11  LEU  79          1HD1      LEU  79   3.026  -4.809 -11.017
  528   HD12  LEU  79          2HD1      LEU  79   3.021  -6.564 -11.200
  529   HD13  LEU  79          3HD1      LEU  79   1.501  -5.693 -10.995
  530   HD21  LEU  79          3HD2      LEU  79   4.651  -6.310  -8.555
  531   HD22  LEU  79          1HD2      LEU  79   3.450  -7.496  -8.044
  532   HD23  LEU  79          2HD2      LEU  79   4.004  -7.467  -9.718
  533    H    ALA  80           H        ALA  80  -0.411  -4.886  -6.833
  534    HA   ALA  80           HA       ALA  80  -1.771  -3.381  -8.867
  535    HB1  ALA  80           1HB      ALA  80  -3.582  -4.633  -8.350
  536    HB2  ALA  80           2HB      ALA  80  -2.410  -5.629  -7.490
  537    HB3  ALA  80           3HB      ALA  80  -3.358  -4.426  -6.613
  538    H    LEU  81           H        LEU  81  -0.855  -2.943  -5.547
  539    HA   LEU  81           HA       LEU  81  -2.318  -0.386  -5.499
  540    HB2  LEU  81           2HB      LEU  81  -1.437  -1.788  -3.001
  541    HB3  LEU  81           1HB      LEU  81  -2.685  -0.576  -3.198
  542    HG   LEU  81           HG       LEU  81  -2.932  -3.379  -4.283
  543   HD11  LEU  81          1HD1      LEU  81  -4.184  -3.969  -2.359
  544   HD12  LEU  81          2HD1      LEU  81  -2.666  -3.273  -1.789
  545   HD13  LEU  81          3HD1      LEU  81  -4.146  -2.313  -1.751
  546   HD21  LEU  81          3HD2      LEU  81  -5.403  -2.695  -4.098
  547   HD22  LEU  81          1HD2      LEU  81  -4.795  -1.043  -3.994
  548   HD23  LEU  81          2HD2      LEU  81  -4.455  -2.019  -5.424
  549    H    VAL  82           H        VAL  82   0.671  -1.762  -5.761
  550    HA   VAL  82           HA       VAL  82   1.977   0.616  -4.621
  551    HB   VAL  82           HB       VAL  82   3.343  -2.035  -5.082
  552   HG11  VAL  82          1HG1      VAL  82   5.148  -1.170  -3.911
  553   HG12  VAL  82          2HG1      VAL  82   4.602   0.210  -4.862
  554   HG13  VAL  82          3HG1      VAL  82   4.179   0.094  -3.154
  555   HG21  VAL  82          3HG2      VAL  82   1.356  -1.677  -3.240
  556   HG22  VAL  82          1HG2      VAL  82   2.656  -2.862  -3.127
  557   HG23  VAL  82          2HG2      VAL  82   2.808  -1.307  -2.308
  558    H    ASP  83           H        ASP  83   3.314   1.779  -5.906
  559    HA   ASP  83           HA       ASP  83   3.932   0.694  -8.560
  560    HB2  ASP  83           2HB      ASP  83   1.964   2.415  -8.488
  561    HB3  ASP  83           1HB      ASP  83   3.250   3.605  -8.294
  562    H    HIS  84           H        HIS  84   5.523   2.509  -9.642
  563    HA   HIS  84           HA       HIS  84   7.566   3.115  -7.625
  564    HB2  HIS  84           2HB      HIS  84   7.816   0.817  -8.903
  565    HB3  HIS  84           1HB      HIS  84   8.440   1.851 -10.184
  566    HD1  HIS  84           1HD      HIS  84  10.448   3.571  -9.214
  567    HD2  HIS  84           2HD      HIS  84   9.735  -0.021  -7.237
  568    HE1  HIS  84           1HE      HIS  84  12.510   3.129  -7.847
  569    HE2  HIS  84           2HE      HIS  84  12.087   0.916  -6.702
  570    H    THR  85           H        THR  85   7.403   5.295  -7.893
  571    HA   THR  85           HA       THR  85   7.582   6.491 -10.512
  572    HB   THR  85           HB       THR  85   6.288   7.573  -8.689
  573    HG1  THR  85           1HG      THR  85   6.821   9.550  -9.378
  574   HG21  THR  85          3HG2      THR  85   7.142   7.811  -6.659
  575   HG22  THR  85          1HG2      THR  85   8.422   8.843  -7.296
  576   HG23  THR  85          2HG2      THR  85   8.653   7.097  -7.219
  577    H    GLU  86           H        GLU  86   9.325   8.536 -10.284
  578    HA   GLU  86           HA       GLU  86  11.865   7.198 -10.575
  579    HB2  GLU  86           2HB      GLU  86  11.405  10.174 -10.686
  580    HB3  GLU  86           1HB      GLU  86  12.656   9.237 -11.490
  581    HG2  GLU  86           2HG      GLU  86   9.791   8.749 -12.152
  582    HG3  GLU  86           1HG      GLU  86  10.621  10.147 -12.831
  583    H    GLU  87           H        GLU  87  11.358   6.738  -8.073
  584    HA   GLU  87           HA       GLU  87  13.365   8.174  -6.615
  585    HB2  GLU  87           2HB      GLU  87  10.694   9.092  -6.424
  586    HB3  GLU  87           1HB      GLU  87  11.044   8.250  -4.919
  587    HG2  GLU  87           2HG      GLU  87  13.284   9.739  -5.204
  588    HG3  GLU  87           1HG      GLU  87  12.086  10.785  -5.961
  589    H    GLY  88           H        GLY  88  10.457   6.209  -5.997
  590    HA2  GLY  88           1HA      GLY  88  11.941   3.857  -5.411
  591    HA3  GLY  88           2HA      GLY  88  11.438   4.661  -3.931
  592    HA   PRO  89           HA       PRO  89   7.886   1.969  -5.367
  593    HB2  PRO  89           2HB      PRO  89   7.735   0.481  -3.092
  594    HB3  PRO  89           1HB      PRO  89   8.710   0.011  -4.484
  595    HG2  PRO  89           2HG      PRO  89   9.561   1.293  -1.931
  596    HG3  PRO  89           1HG      PRO  89  10.368   0.031  -2.879
  597    HD2  PRO  89           2HD      PRO  89  11.102   2.661  -2.932
  598    HD3  PRO  89           1HD      PRO  89  11.340   1.553  -4.295
  599    H    VAL  90           H        VAL  90   6.009   2.987  -5.052
  600    HA   VAL  90           HA       VAL  90   5.562   4.363  -2.497
  601    HB   VAL  90           HB       VAL  90   4.670   6.316  -3.922
  602   HG11  VAL  90          1HG1      VAL  90   7.650   6.004  -4.035
  603   HG12  VAL  90          2HG1      VAL  90   6.696   7.456  -3.730
  604   HG13  VAL  90          3HG1      VAL  90   6.798   6.194  -2.503
  605   HG21  VAL  90          3HG2      VAL  90   6.672   5.383  -5.948
  606   HG22  VAL  90          1HG2      VAL  90   4.989   4.856  -6.042
  607   HG23  VAL  90          2HG2      VAL  90   5.380   6.575  -6.115
  608    H    CYS  91           H        CYS  91   3.308   5.624  -2.884
  609    HA   CYS  91           HA       CYS  91   1.313   3.624  -3.046
  610    HB2  CYS  91           2HB      CYS  91   1.488   6.200  -2.033
  611    HB3  CYS  91           1HB      CYS  91   0.372   6.371  -3.380
  612    H    LYS  92           H        LYS  92   0.129   2.956  -4.734
  613    HA   LYS  92           HA       LYS  92   0.886   3.748  -7.367
  614    HB2  LYS  92           2HB      LYS  92   0.144   1.447  -6.710
  615    HB3  LYS  92           1HB      LYS  92  -1.481   2.085  -6.506
  616    HG2  LYS  92           2HG      LYS  92  -1.904   1.953  -8.683
  617    HG3  LYS  92           1HG      LYS  92  -0.381   2.743  -9.100
  618    HD2  LYS  92           2HD      LYS  92   0.770   0.581  -8.672
  619    HD3  LYS  92           1HD      LYS  92  -0.814  -0.171  -8.481
  620    HE2  LYS  92           2HE      LYS  92  -1.216  -0.172 -10.694
  621    HE3  LYS  92           1HE      LYS  92  -0.491   1.418 -10.927
  622    HZ1  LYS  92           3HZ      LYS  92   1.614   0.528 -11.148
  623    HZ2  LYS  92           1HZ      LYS  92   0.649  -0.625 -11.951
  624    HZ3  LYS  92           2HZ      LYS  92   1.201  -0.931 -10.381
  625    H    ASN  93           H        ASN  93  -1.912   4.279  -5.291
  626    HA   ASN  93           HA       ASN  93  -2.784   6.467  -6.983
  627    HB2  ASN  93           2HB      ASN  93  -4.096   3.829  -6.894
  628    HB3  ASN  93           1HB      ASN  93  -5.178   5.193  -6.662
  629   HD21  ASN  93          1HD2      ASN  93  -4.690   3.215  -8.883
  630   HD22  ASN  93          2HD2      ASN  93  -4.535   4.200 -10.296
  631    H    ILE  94           H        ILE  94  -5.011   4.793  -4.903
  632    HA   ILE  94           HA       ILE  94  -5.596   7.276  -3.611
  633    HB   ILE  94           HB       ILE  94  -6.711   4.558  -2.931
  634   HG12  ILE  94          2HG1      ILE  94  -8.073   6.385  -4.860
  635   HG13  ILE  94          1HG1      ILE  94  -6.745   5.390  -5.450
  636   HG21  ILE  94          1HG2      ILE  94  -8.701   6.479  -2.800
  637   HG22  ILE  94          2HG2      ILE  94  -7.858   5.738  -1.441
  638   HG23  ILE  94          3HG2      ILE  94  -7.283   7.268  -2.105
  639   HD11  ILE  94          3HD1      ILE  94  -8.400   3.930  -5.854
  640   HD12  ILE  94          1HD1      ILE  94  -8.189   3.529  -4.151
  641   HD13  ILE  94          2HD1      ILE  94  -9.470   4.636  -4.644
  642    H    VAL  95           H        VAL  95  -4.846   8.010  -1.760
  643    HA   VAL  95           HA       VAL  95  -3.172   6.325  -0.078
  644    HB   VAL  95           HB       VAL  95  -3.063   8.628   1.230
  645   HG11  VAL  95          1HG1      VAL  95  -1.322   9.300  -0.686
  646   HG12  VAL  95          2HG1      VAL  95  -1.031   7.994   0.461
  647   HG13  VAL  95          3HG1      VAL  95  -1.628   7.627  -1.158
  648   HG21  VAL  95          3HG2      VAL  95  -4.816   9.392  -0.707
  649   HG22  VAL  95          1HG2      VAL  95  -3.765  10.492   0.186
  650   HG23  VAL  95          2HG2      VAL  95  -3.280   9.907  -1.406
  651    H    ALA  96           H        ALA  96  -3.729   5.595   1.913
  652    HA   ALA  96           HA       ALA  96  -6.105   6.580   3.242
  653    HB1  ALA  96           1HB      ALA  96  -6.837   4.901   1.480
  654    HB2  ALA  96           2HB      ALA  96  -6.046   3.676   2.471
  655    HB3  ALA  96           3HB      ALA  96  -7.388   4.612   3.130
  656    H    CYS  97           H        CYS  97  -6.506   5.406   5.314
  657    HA   CYS  97           HA       CYS  97  -3.996   4.356   6.426
  658    HB2  CYS  97           2HB      CYS  97  -6.059   5.042   8.374
  659    HB3  CYS  97           1HB      CYS  97  -4.362   5.511   8.322
  660    H    CYS  98           H        CYS  98  -3.966   2.340   7.324
  661    HA   CYS  98           HA       CYS  98  -6.436   0.835   7.508
  662    HB2  CYS  98           2HB      CYS  98  -6.007   0.745   5.128
  663    HB3  CYS  98           1HB      CYS  98  -4.343   0.254   5.412
  664    HA   PRO  99           HA       PRO  99  -3.823  -1.404  10.394
  665    HB2  PRO  99           2HB      PRO  99  -5.703  -3.142  11.228
  666    HB3  PRO  99           1HB      PRO  99  -5.736  -1.442  11.713
  667    HG2  PRO  99           2HG      PRO  99  -7.314  -2.825   9.586
  668    HG3  PRO  99           1HG      PRO  99  -7.854  -1.630  10.777
  669    HD2  PRO  99           2HD      PRO  99  -7.251  -1.014   8.184
  670    HD3  PRO  99           1HD      PRO  99  -7.107   0.136   9.528
  671    H    GLU 100           H        GLU 100  -3.682  -3.982  10.783
  672    HA   GLU 100           HA       GLU 100  -2.711  -4.952   8.271
  673    HB2  GLU 100           2HB      GLU 100  -1.695  -5.253  10.626
  674    HB3  GLU 100           1HB      GLU 100  -2.826  -6.588  10.781
  675    HG2  GLU 100           2HG      GLU 100  -1.751  -7.248   8.434
  676    HG3  GLU 100           1HG      GLU 100  -0.402  -6.332   9.113
  677    H    GLY 101           H        GLY 101  -3.689  -7.694   9.865
  678    HA2  GLY 101           1HA      GLY 101  -5.692  -8.183   7.803
  679    HA3  GLY 101           2HA      GLY 101  -4.909  -9.394   8.806
  680    H    THR 102           H        THR 102  -6.769  -6.467   9.561
  681    HA   THR 102           HA       THR 102  -9.128  -7.841  10.315
  682    HB   THR 102           HB       THR 102  -8.404  -6.634  12.809
  683    HG1  THR 102           1HG      THR 102  -6.586  -8.640  11.907
  684   HG21  THR 102          3HG2      THR 102  -9.375  -8.495  13.682
  685   HG22  THR 102          1HG2      THR 102  -8.561  -9.581  12.558
  686   HG23  THR 102          2HG2      THR 102  -9.965  -8.652  12.026
  687    H    THR 103           H        THR 103 -10.765  -6.459  10.395
  688    HA   THR 103           HA       THR 103 -11.981  -4.562  10.435
  689    HB   THR 103           HB       THR 103  -9.585  -2.984  11.354
  690    HG1  THR 103           1HG      THR 103 -10.041  -3.636  13.452
  691   HG21  THR 103          3HG2      THR 103 -11.236  -1.431  11.173
  692   HG22  THR 103          1HG2      THR 103 -11.690  -2.064  12.755
  693   HG23  THR 103          2HG2      THR 103 -12.523  -2.630  11.308
  694    H    ASN 104           H        ASN 104 -12.459  -2.838   9.150
  695    HA   ASN 104           HA       ASN 104 -11.222  -2.932   6.584
  696    HB2  ASN 104           2HB      ASN 104 -12.943  -0.829   6.424
  697    HB3  ASN 104           1HB      ASN 104 -13.421  -2.512   6.219
  698   HD21  ASN 104          1HD2      ASN 104 -13.544   0.275   8.265
  699   HD22  ASN 104          2HD2      ASN 104 -14.653  -0.376   9.433
  700    H    CYS 105           H        CYS 105 -10.585  -0.978   5.406
  701    HA   CYS 105           HA       CYS 105  -9.023   0.813   7.148
  702    HB2  CYS 105           2HB      CYS 105  -8.464   0.603   4.235
  703    HB3  CYS 105           1HB      CYS 105  -7.350   0.805   5.581
  704    H    VAL 106           H        VAL 106  -9.083   3.042   6.805
  705    HA   VAL 106           HA       VAL 106 -11.406   3.943   5.263
  706    HB   VAL 106           HB       VAL 106 -11.754   5.643   6.753
  707   HG11  VAL 106          1HG1      VAL 106 -11.808   4.742   8.855
  708   HG12  VAL 106          2HG1      VAL 106 -11.486   3.293   7.902
  709   HG13  VAL 106          3HG1      VAL 106 -10.165   4.105   8.744
  710   HG21  VAL 106          3HG2      VAL 106 -10.092   6.798   8.071
  711   HG22  VAL 106          1HG2      VAL 106  -8.855   5.635   7.591
  712   HG23  VAL 106          2HG2      VAL 106  -9.556   6.722   6.393
  713    H    ALA 107           H        ALA 107 -11.249   5.426   3.664
  714    HA   ALA 107           HA       ALA 107  -8.547   6.077   2.740
  715    HB1  ALA 107           1HB      ALA 107 -10.604   6.919   0.920
  716    HB2  ALA 107           2HB      ALA 107  -9.337   5.714   0.694
  717    HB3  ALA 107           3HB      ALA 107 -10.879   5.246   1.406
  718    H    VAL 108           H        VAL 108  -7.752   8.043   3.025
  719    HA   VAL 108           HA       VAL 108  -9.558  10.131   3.988
  720    HB   VAL 108           HB       VAL 108  -7.206  11.276   4.401
  721   HG11  VAL 108          1HG1      VAL 108  -8.038   9.047   6.234
  722   HG12  VAL 108          2HG1      VAL 108  -7.361  10.623   6.649
  723   HG13  VAL 108          3HG1      VAL 108  -9.010  10.506   6.035
  724   HG21  VAL 108          3HG2      VAL 108  -5.920   8.981   5.254
  725   HG22  VAL 108          1HG2      VAL 108  -6.538   8.551   3.659
  726   HG23  VAL 108          2HG2      VAL 108  -5.493   9.958   3.850
  727    H    ASP 109           H        ASP 109  -8.790   9.214   1.140
  728    HA   ASP 109           HA       ASP 109  -8.566  11.959   0.114
  729    HB2  ASP 109           2HB      ASP 109  -6.532  10.754  -0.510
  730    HB3  ASP 109           1HB      ASP 109  -7.496   9.451  -1.205
  731    H    ASN 110           H        ASN 110 -10.320  12.603  -0.783
  732    HA   ASN 110           HA       ASN 110 -11.856  10.805  -2.488
  733    HB2  ASN 110           2HB      ASN 110 -13.986  11.527  -1.512
  734    HB3  ASN 110           1HB      ASN 110 -12.982  10.742  -0.294
  735   HD21  ASN 110          1HD2      ASN 110 -12.008  12.008   1.324
  736   HD22  ASN 110          2HD2      ASN 110 -12.612  13.585   1.713
  737    H    ALA 111           H        ALA 111 -10.115  13.437  -2.250
  738    HA   ALA 111           HA       ALA 111 -11.024  14.779  -4.525
  739    HB1  ALA 111           1HB      ALA 111 -12.389  15.554  -2.075
  740    HB2  ALA 111           2HB      ALA 111 -11.574  16.914  -2.848
  741    HB3  ALA 111           3HB      ALA 111 -12.755  15.965  -3.751
  742    H    GLY 112           H        GLY 112  -8.634  13.905  -2.890
  743    HA2  GLY 112           1HA      GLY 112  -7.220  16.500  -2.791
  744    HA3  GLY 112           2HA      GLY 112  -6.756  15.070  -1.877
  745    H    ALA 113           H        ALA 113  -7.528  13.601  -4.501
  746    HA   ALA 113           HA       ALA 113  -6.609  12.874  -6.436
  747    HB1  ALA 113           1HB      ALA 113  -5.351  15.588  -6.297
  748    HB2  ALA 113           2HB      ALA 113  -4.860  14.434  -7.538
  749    HB3  ALA 113           3HB      ALA 113  -6.538  14.959  -7.440
  750    H    GLY 114           H        GLY 114  -5.742  11.541  -4.402
  751    HA2  GLY 114           1HA      GLY 114  -2.909  11.595  -4.039
  752    HA3  GLY 114           2HA      GLY 114  -3.999  10.306  -3.549
  753    H    THR 115           H        THR 115  -1.495  11.073  -5.515
  754    HA   THR 115           HA       THR 115  -1.630   8.562  -6.897
  755    HB   THR 115           HB       THR 115  -1.540  11.084  -8.578
  756    HG1  THR 115           1HG      THR 115  -3.645   9.625  -7.657
  757   HG21  THR 115          3HG2      THR 115  -0.266   8.987  -9.318
  758   HG22  THR 115          1HG2      THR 115  -1.396   9.701 -10.468
  759   HG23  THR 115          2HG2      THR 115  -1.858   8.261  -9.557
  760    H    LYS 116           H        LYS 116   0.347   7.971  -6.104
  761    HA   LYS 116           HA       LYS 116   2.550   9.873  -6.409
  762    HB2  LYS 116           2HB      LYS 116   1.923   8.121  -4.338
  763    HB3  LYS 116           1HB      LYS 116   3.292   7.366  -5.146
  764    HG2  LYS 116           2HG      LYS 116   3.252  10.223  -4.195
  765    HG3  LYS 116           1HG      LYS 116   3.920   8.874  -3.277
  766    HD2  LYS 116           2HD      LYS 116   5.829   8.933  -4.437
  767    HD3  LYS 116           1HD      LYS 116   4.963   8.936  -5.975
  768    HE2  LYS 116           2HE      LYS 116   4.930  11.462  -4.442
  769    HE3  LYS 116           1HE      LYS 116   6.480  10.985  -5.119
  770    HZ1  LYS 116           3HZ      LYS 116   3.957  11.576  -6.548
  771    HZ2  LYS 116           1HZ      LYS 116   5.212  10.713  -7.300
  772    HZ3  LYS 116           2HZ      LYS 116   5.472  12.298  -6.747
  773    H    ALA 117           H        ALA 117   1.148   7.537  -8.228
  774    HA   ALA 117           HA       ALA 117   3.590   6.465  -9.362
  775    HB1  ALA 117           1HB      ALA 117   1.142   5.449  -9.343
  776    HB2  ALA 117           2HB      ALA 117   1.000   6.379 -10.835
  777    HB3  ALA 117           3HB      ALA 117   2.251   5.146 -10.681
  778    H    GLU 118           H        GLU 118   4.526   8.542  -9.580
  779    HA   GLU 118           HA       GLU 118   5.038   9.792 -11.807
  780    HB2  GLU 118           2HB      GLU 118   2.331  10.033 -11.834
  781    HB3  GLU 118           1HB      GLU 118   2.758  11.506 -10.971
  782    HG2  GLU 118           2HG      GLU 118   3.107  12.466 -12.934
  783    HG3  GLU 118           1HG      GLU 118   4.499  11.407 -13.144
  Start of MODEL    7
    1    H1   SER   1           1H       SER   1  -1.672 -14.379 -11.331
    2    H2   SER   1           2H       SER   1  -3.302 -14.704 -11.673
    3    H3   SER   1           3H       SER   1  -2.418 -13.653 -12.666
    4    HA   SER   1           HA       SER   1  -2.731 -16.395 -12.928
    5    HB2  SER   1           2HB      SER   1  -0.750 -15.226 -14.676
    6    HB3  SER   1           1HB      SER   1  -2.407 -15.713 -15.045
    7    HG   SER   1           HG       SER   1  -1.751 -13.353 -15.232
    8    H    LEU   2           H        LEU   2   0.320 -15.855 -14.116
    9    HA   LEU   2           HA       LEU   2   1.581 -17.081 -11.757
   10    HB2  LEU   2           2HB      LEU   2   1.798 -17.737 -14.660
   11    HB3  LEU   2           1HB      LEU   2   3.215 -17.952 -13.650
   12    HG   LEU   2           HG       LEU   2   0.564 -19.357 -13.439
   13   HD11  LEU   2          1HD1      LEU   2   2.176 -20.252 -15.025
   14   HD12  LEU   2          2HD1      LEU   2   3.388 -20.348 -13.749
   15   HD13  LEU   2          3HD1      LEU   2   1.939 -21.348 -13.663
   16   HD21  LEU   2          3HD2      LEU   2   2.706 -20.010 -11.518
   17   HD22  LEU   2          1HD2      LEU   2   1.824 -18.509 -11.231
   18   HD23  LEU   2          2HD2      LEU   2   0.953 -20.040 -11.324
   19    HA   PRO   3           HA       PRO   3   4.133 -13.484 -11.809
   20    HB2  PRO   3           2HB      PRO   3   6.004 -14.982 -10.128
   21    HB3  PRO   3           1HB      PRO   3   5.015 -13.579  -9.721
   22    HG2  PRO   3           2HG      PRO   3   4.519 -16.040  -8.723
   23    HG3  PRO   3           1HG      PRO   3   3.232 -14.864  -9.045
   24    HD2  PRO   3           2HD      PRO   3   4.089 -17.226 -10.671
   25    HD3  PRO   3           1HD      PRO   3   2.452 -16.635 -10.321
   26    H    ALA   4           H        ALA   4   6.373 -12.844 -12.227
   27    HA   ALA   4           HA       ALA   4   7.698 -14.687 -14.094
   28    HB1  ALA   4           1HB      ALA   4   7.612 -12.961 -15.500
   29    HB2  ALA   4           2HB      ALA   4   7.062 -11.870 -14.229
   30    HB3  ALA   4           3HB      ALA   4   8.786 -12.150 -14.468
   31    H    SER   5           H        SER   5  10.145 -13.174 -14.164
   32    HA   SER   5           HA       SER   5  11.313 -14.172 -11.688
   33    HB2  SER   5           2HB      SER   5  13.422 -13.283 -13.185
   34    HB3  SER   5           1HB      SER   5  12.752 -14.913 -13.280
   35    HG   SER   5           HG       SER   5  11.710 -14.415 -15.116
   36    H    ALA   6           H        ALA   6  11.671 -11.240 -13.692
   37    HA   ALA   6           HA       ALA   6  12.897  -9.824 -11.501
   38    HB1  ALA   6           1HB      ALA   6  12.839  -9.586 -14.330
   39    HB2  ALA   6           2HB      ALA   6  12.289  -8.060 -13.631
   40    HB3  ALA   6           3HB      ALA   6  13.854  -8.728 -13.169
   41    H    ALA   7           H        ALA   7  10.613 -10.381 -10.428
   42    HA   ALA   7           HA       ALA   7   8.987  -7.931 -10.670
   43    HB1  ALA   7           1HB      ALA   7   7.918 -10.201 -11.283
   44    HB2  ALA   7           2HB      ALA   7   7.914 -10.495  -9.545
   45    HB3  ALA   7           3HB      ALA   7   7.032  -9.119 -10.209
   46    H    LYS   8           H        LYS   8  10.398  -6.898  -9.163
   47    HA   LYS   8           HA       LYS   8   9.800  -7.497  -6.388
   48    HB2  LYS   8           2HB      LYS   8  12.272  -8.308  -7.635
   49    HB3  LYS   8           1HB      LYS   8  12.586  -7.111  -6.385
   50    HG2  LYS   8           2HG      LYS   8  10.835  -8.763  -5.122
   51    HG3  LYS   8           1HG      LYS   8  11.715  -9.891  -6.157
   52    HD2  LYS   8           2HD      LYS   8  13.774  -8.456  -5.203
   53    HD3  LYS   8           1HD      LYS   8  12.650  -8.299  -3.849
   54    HE2  LYS   8           2HE      LYS   8  12.368 -10.850  -4.087
   55    HE3  LYS   8           1HE      LYS   8  13.858 -10.772  -5.025
   56    HZ1  LYS   8           3HZ      LYS   8  13.869 -11.149  -2.437
   57    HZ2  LYS   8           1HZ      LYS   8  13.827  -9.453  -2.416
   58    HZ3  LYS   8           2HZ      LYS   8  15.090 -10.259  -3.211
   59    H    ASN   9           H        ASN   9   9.140  -5.336  -8.089
   60    HA   ASN   9           HA       ASN   9  10.954  -3.159  -7.509
   61    HB2  ASN   9           2HB      ASN   9   9.185  -1.791  -8.710
   62    HB3  ASN   9           1HB      ASN   9   9.955  -3.060  -9.660
   63   HD21  ASN   9          1HD2      ASN   9   7.037  -1.949  -8.203
   64   HD22  ASN   9          2HD2      ASN   9   5.988  -3.134  -8.897
   65    H    ALA  10           H        ALA  10  10.043  -4.270  -5.161
   66    HA   ALA  10           HA       ALA  10   8.257  -2.167  -4.120
   67    HB1  ALA  10           1HB      ALA  10   8.359  -4.811  -2.766
   68    HB2  ALA  10           2HB      ALA  10   7.034  -3.657  -2.896
   69    HB3  ALA  10           3HB      ALA  10   7.446  -4.683  -4.268
   70    H    LYS  11           H        LYS  11   8.948  -1.105  -2.344
   71    HA   LYS  11           HA       LYS  11  11.243  -2.150  -0.858
   72    HB2  LYS  11           2HB      LYS  11  11.092   0.511  -2.252
   73    HB3  LYS  11           1HB      LYS  11  12.134   0.273  -0.854
   74    HG2  LYS  11           2HG      LYS  11  13.540  -1.165  -1.975
   75    HG3  LYS  11           1HG      LYS  11  12.314  -1.603  -3.168
   76    HD2  LYS  11           2HD      LYS  11  12.498   0.962  -3.774
   77    HD3  LYS  11           1HD      LYS  11  14.101   0.776  -3.056
   78    HE2  LYS  11           2HE      LYS  11  13.572  -1.424  -4.817
   79    HE3  LYS  11           1HE      LYS  11  13.275   0.091  -5.665
   80    HZ1  LYS  11           3HZ      LYS  11  15.603   0.582  -4.392
   81    HZ2  LYS  11           1HZ      LYS  11  15.463   0.072  -6.005
   82    HZ3  LYS  11           2HZ      LYS  11  15.758  -1.057  -4.782
   83    H    LEU  12           H        LEU  12   9.406   0.885  -0.963
   84    HA   LEU  12           HA       LEU  12   7.937   1.860   0.453
   85    HB2  LEU  12           2HB      LEU  12   7.488  -0.803   0.957
   86    HB3  LEU  12           1HB      LEU  12   7.883  -0.179   2.548
   87    HG   LEU  12           HG       LEU  12   5.464  -0.173   2.136
   88   HD11  LEU  12          1HD1      LEU  12   6.911   2.417   2.508
   89   HD12  LEU  12          2HD1      LEU  12   5.145   2.363   2.514
   90   HD13  LEU  12          3HD1      LEU  12   6.061   1.429   3.698
   91   HD21  LEU  12          3HD2      LEU  12   4.536   0.534   0.244
   92   HD22  LEU  12          1HD2      LEU  12   5.389   2.077   0.329
   93   HD23  LEU  12          2HD2      LEU  12   6.168   0.678  -0.411
   94    H    ALA  13           H        ALA  13  10.396   0.033   2.283
   95    HA   ALA  13           HA       ALA  13  10.553   1.868   4.419
   96    HB1  ALA  13           1HB      ALA  13  12.899   0.775   4.673
   97    HB2  ALA  13           2HB      ALA  13  11.449  -0.197   4.924
   98    HB3  ALA  13           3HB      ALA  13  12.335  -0.307   3.401
   99    H    THR  14           H        THR  14  12.149   1.715   1.316
  100    HA   THR  14           HA       THR  14  13.949   3.897   1.944
  101    HB   THR  14           HB       THR  14  13.992   3.253  -0.829
  102    HG1  THR  14           1HG      THR  14  14.351   0.904   0.718
  103   HG21  THR  14          3HG2      THR  14  15.743   3.362   1.466
  104   HG22  THR  14          1HG2      THR  14  16.118   3.601  -0.242
  105   HG23  THR  14          2HG2      THR  14  16.129   1.974   0.444
  106    H    SER  15           H        SER  15  10.774   3.680   1.013
  107    HA   SER  15           HA       SER  15  10.773   5.805  -0.942
  108    HB2  SER  15           2HB      SER  15   8.360   4.662   0.464
  109    HB3  SER  15           1HB      SER  15   8.433   5.444  -1.113
  110    HG   SER  15           HG       SER  15   8.405   3.378  -1.653
  111    H    ALA  16           H        ALA  16  11.598   7.619   0.128
  112    HA   ALA  16           HA       ALA  16  10.523   8.566   2.603
  113    HB1  ALA  16           1HB      ALA  16  11.897  10.441   2.338
  114    HB2  ALA  16           2HB      ALA  16  12.794   9.146   1.546
  115    HB3  ALA  16           3HB      ALA  16  11.890  10.311   0.579
  116    H    ALA  17           H        ALA  17   9.824   9.001  -0.782
  117    HA   ALA  17           HA       ALA  17   7.993  11.139  -0.532
  118    HB1  ALA  17           1HB      ALA  17   9.130   9.821  -2.608
  119    HB2  ALA  17           2HB      ALA  17   7.478   9.203  -2.673
  120    HB3  ALA  17           3HB      ALA  17   7.772  10.940  -2.752
  121    H    PHE  18           H        PHE  18   7.640   7.656  -0.152
  122    HA   PHE  18           HA       PHE  18   4.783   7.715  -0.003
  123    HB2  PHE  18           2HB      PHE  18   6.295   5.679  -0.472
  124    HB3  PHE  18           1HB      PHE  18   6.518   5.610   1.271
  125    HD1  PHE  18           2HD      PHE  18   4.145   5.146  -1.476
  126    HD2  PHE  18           1HD      PHE  18   4.722   4.958   2.737
  127    HE1  PHE  18           2HE      PHE  18   2.056   3.868  -1.253
  128    HE2  PHE  18           1HE      PHE  18   2.631   3.678   2.964
  129    HZ   PHE  18           HZ       PHE  18   1.293   3.136   0.976
  130    H    ALA  19           H        ALA  19   7.435   7.928   2.309
  131    HA   ALA  19           HA       ALA  19   5.822   8.035   4.645
  132    HB1  ALA  19           1HB      ALA  19   7.874   9.240   5.584
  133    HB2  ALA  19           2HB      ALA  19   8.077   7.582   5.024
  134    HB3  ALA  19           3HB      ALA  19   8.612   8.926   4.015
  135    H    LYS  20           H        LYS  20   6.815  10.395   2.268
  136    HA   LYS  20           HA       LYS  20   5.932  12.724   3.616
  137    HB2  LYS  20           2HB      LYS  20   7.183  12.171   1.212
  138    HB3  LYS  20           1HB      LYS  20   5.596  12.731   0.702
  139    HG2  LYS  20           2HG      LYS  20   6.020  14.725   2.262
  140    HG3  LYS  20           1HG      LYS  20   7.707  14.200   2.236
  141    HD2  LYS  20           2HD      LYS  20   7.179  14.143  -0.395
  142    HD3  LYS  20           1HD      LYS  20   6.054  15.411   0.096
  143    HE2  LYS  20           2HE      LYS  20   8.152  16.331   1.378
  144    HE3  LYS  20           1HE      LYS  20   9.034  15.355   0.203
  145    HZ1  LYS  20           3HZ      LYS  20   6.952  17.279  -0.657
  146    HZ2  LYS  20           1HZ      LYS  20   8.222  16.614  -1.563
  147    HZ3  LYS  20           2HZ      LYS  20   8.554  17.776  -0.379
  148    H    GLN  21           H        GLN  21   4.450  10.381   1.508
  149    HA   GLN  21           HA       GLN  21   1.909  11.510   1.231
  150    HB2  GLN  21           2HB      GLN  21   3.239   9.098   0.545
  151    HB3  GLN  21           1HB      GLN  21   1.747   8.654   1.358
  152    HG2  GLN  21           2HG      GLN  21   0.456   9.398  -0.335
  153    HG3  GLN  21           1HG      GLN  21   1.516  10.766  -0.668
  154   HE21  GLN  21          1HE2      GLN  21   1.299  10.342  -2.893
  155   HE22  GLN  21          2HE2      GLN  21   2.177   9.062  -3.650
  156    H    ALA  22           H        ALA  22   3.348   9.577   3.776
  157    HA   ALA  22           HA       ALA  22   0.900   9.045   5.157
  158    HB1  ALA  22           1HB      ALA  22   3.418   7.987   5.253
  159    HB2  ALA  22           2HB      ALA  22   3.353   8.922   6.748
  160    HB3  ALA  22           3HB      ALA  22   2.141   7.681   6.430
  161    H    GLU  23           H        GLU  23   2.819  11.800   4.886
  162    HA   GLU  23           HA       GLU  23   1.832  12.830   7.458
  163    HB2  GLU  23           2HB      GLU  23   4.400  12.909   6.303
  164    HB3  GLU  23           1HB      GLU  23   3.779  14.555   6.251
  165    HG2  GLU  23           2HG      GLU  23   3.123  13.583   8.782
  166    HG3  GLU  23           1HG      GLU  23   4.780  13.060   8.482
  167    H    GLY  24           H        GLY  24   2.102  13.495   4.008
  168    HA2  GLY  24           1HA      GLY  24   0.794  16.006   4.002
  169    HA3  GLY  24           2HA      GLY  24   0.892  14.890   2.643
  170    H    THR  25           H        THR  25  -0.359  12.703   3.942
  171    HA   THR  25           HA       THR  25  -3.084  13.735   4.344
  172    HB   THR  25           HB       THR  25  -3.312  11.031   3.652
  173    HG1  THR  25           1HG      THR  25  -1.172  11.135   2.789
  174   HG21  THR  25          3HG2      THR  25  -3.643  13.317   1.723
  175   HG22  THR  25          1HG2      THR  25  -4.749  13.059   3.072
  176   HG23  THR  25          2HG2      THR  25  -4.579  11.824   1.824
  177    H    THR  26           H        THR  26  -4.107  13.140   6.189
  178    HA   THR  26           HA       THR  26  -2.415  12.289   8.291
  179    HB   THR  26           HB       THR  26  -5.406  12.593   8.481
  180    HG1  THR  26           1HG      THR  26  -3.383  14.474   8.059
  181   HG21  THR  26          3HG2      THR  26  -3.243  12.192  10.364
  182   HG22  THR  26          1HG2      THR  26  -4.989  12.183  10.645
  183   HG23  THR  26          2HG2      THR  26  -4.090  13.701  10.690
  184    H    CYS  27           H        CYS  27  -1.750  10.246   8.128
  185    HA   CYS  27           HA       CYS  27  -3.673   8.204   8.936
  186    HB2  CYS  27           2HB      CYS  27  -1.778   7.937   6.588
  187    HB3  CYS  27           1HB      CYS  27  -2.523   6.555   7.384
  188    H    ASN  28           H        ASN  28  -2.089   6.077   9.331
  189    HA   ASN  28           HA       ASN  28  -0.030   7.158  11.124
  190    HB2  ASN  28           2HB      ASN  28  -1.750   5.770  12.202
  191    HB3  ASN  28           1HB      ASN  28  -1.350   4.431  11.129
  192   HD21  ASN  28          1HD2      ASN  28  -0.778   3.053  12.765
  193   HD22  ASN  28          2HD2      ASN  28   0.661   3.265  13.717
  194    H    VAL  29           H        VAL  29   2.042   6.184  11.213
  195    HA   VAL  29           HA       VAL  29   3.082   5.617   8.631
  196    HB   VAL  29           HB       VAL  29   4.134   6.425  11.135
  197   HG11  VAL  29          1HG1      VAL  29   6.347   4.987  10.765
  198   HG12  VAL  29          2HG1      VAL  29   5.069   4.493  11.873
  199   HG13  VAL  29          3HG1      VAL  29   5.155   3.787  10.263
  200   HG21  VAL  29          3HG2      VAL  29   6.157   6.884   9.711
  201   HG22  VAL  29          1HG2      VAL  29   5.286   6.122   8.381
  202   HG23  VAL  29          2HG2      VAL  29   4.638   7.575   9.140
  203    H    GLY  30           H        GLY  30   2.190   3.645  11.402
  204    HA2  GLY  30           1HA      GLY  30   3.289   1.218  10.278
  205    HA3  GLY  30           2HA      GLY  30   2.246   1.336  11.690
  206    H    SER  31           H        SER  31   0.054   2.537  10.787
  207    HA   SER  31           HA       SER  31  -1.133   0.513   9.097
  208    HB2  SER  31           2HB      SER  31  -2.946   2.626   9.824
  209    HB3  SER  31           1HB      SER  31  -2.941   0.942  10.347
  210    HG   SER  31           HG       SER  31  -2.703   2.431  12.105
  211    H    ILE  32           H        ILE  32   0.570   1.744   7.483
  212    HA   ILE  32           HA       ILE  32  -0.984   3.774   6.031
  213    HB   ILE  32           HB       ILE  32   1.344   4.358   6.861
  214   HG12  ILE  32          2HG1      ILE  32   1.905   5.606   4.816
  215   HG13  ILE  32          1HG1      ILE  32   0.777   4.611   3.902
  216   HG21  ILE  32          1HG2      ILE  32   1.999   2.044   5.300
  217   HG22  ILE  32          2HG2      ILE  32   2.864   3.459   4.698
  218   HG23  ILE  32          3HG2      ILE  32   3.015   2.988   6.391
  219   HD11  ILE  32          3HD1      ILE  32  -1.020   5.733   4.660
  220   HD12  ILE  32          1HD1      ILE  32  -0.323   5.975   6.263
  221   HD13  ILE  32          2HD1      ILE  32   0.170   7.012   4.923
  222    H    ALA  33           H        ALA  33  -1.462   3.509   3.867
  223    HA   ALA  33           HA       ALA  33  -0.491   1.142   2.495
  224    HB1  ALA  33           1HB      ALA  33  -2.805   0.374   1.991
  225    HB2  ALA  33           2HB      ALA  33  -2.323   0.185   3.678
  226    HB3  ALA  33           3HB      ALA  33  -3.389   1.511   3.208
  227    H    CYS  34           H        CYS  34  -1.780   0.957   0.330
  228    HA   CYS  34           HA       CYS  34  -2.547   3.596  -0.696
  229    HB2  CYS  34           2HB      CYS  34  -0.251   3.014  -1.494
  230    HB3  CYS  34           1HB      CYS  34  -0.908   1.553  -2.220
  231    H    CYS  35           H        CYS  35  -4.419   3.552  -1.841
  232    HA   CYS  35           HA       CYS  35  -5.657   0.910  -2.209
  233    HB2  CYS  35           2HB      CYS  35  -6.871   3.649  -1.847
  234    HB3  CYS  35           1HB      CYS  35  -7.805   2.239  -2.332
  235    H    ASN  36           H        ASN  36  -6.612   0.379  -4.155
  236    HA   ASN  36           HA       ASN  36  -6.309   2.245  -6.388
  237    HB2  ASN  36           2HB      ASN  36  -4.287   0.911  -6.473
  238    HB3  ASN  36           1HB      ASN  36  -5.207  -0.579  -6.300
  239   HD21  ASN  36          1HD2      ASN  36  -5.715  -1.626  -8.083
  240   HD22  ASN  36          2HD2      ASN  36  -5.675  -0.972  -9.684
  241    H    SER  37           H        SER  37  -7.725   1.825  -8.113
  242    HA   SER  37           HA       SER  37 -10.296   1.175  -7.615
  243    HB2  SER  37           2HB      SER  37  -9.507   0.344 -10.305
  244    HB3  SER  37           1HB      SER  37 -10.565   1.660  -9.795
  245    HG   SER  37           HG       SER  37  -8.068   1.817 -10.672
  246    HA   PRO  38           HA       PRO  38 -10.687  -3.001  -6.606
  247    HB2  PRO  38           2HB      PRO  38 -13.214  -3.507  -7.580
  248    HB3  PRO  38           1HB      PRO  38 -12.867  -2.668  -6.066
  249    HG2  PRO  38           2HG      PRO  38 -13.537  -1.538  -8.750
  250    HG3  PRO  38           1HG      PRO  38 -14.096  -1.026  -7.146
  251    HD2  PRO  38           2HD      PRO  38 -12.175   0.312  -8.451
  252    HD3  PRO  38           1HD      PRO  38 -12.130   0.109  -6.689
  253    H    ALA  39           H        ALA  39 -11.605  -2.288  -9.974
  254    HA   ALA  39           HA       ALA  39 -11.691  -5.010 -10.760
  255    HB1  ALA  39           1HB      ALA  39 -11.502  -2.456 -12.342
  256    HB2  ALA  39           2HB      ALA  39 -11.639  -4.049 -13.086
  257    HB3  ALA  39           3HB      ALA  39 -12.927  -3.451 -12.044
  258    H    GLU  40           H        GLU  40  -9.132  -2.818 -10.303
  259    HA   GLU  40           HA       GLU  40  -7.287  -4.401 -11.925
  260    HB2  GLU  40           2HB      GLU  40  -7.069  -1.698 -10.604
  261    HB3  GLU  40           1HB      GLU  40  -5.693  -2.506 -11.341
  262    HG2  GLU  40           2HG      GLU  40  -6.472  -1.005 -12.945
  263    HG3  GLU  40           1HG      GLU  40  -7.050  -2.581 -13.473
  264    H    THR  41           H        THR  41  -7.836  -3.239  -8.650
  265    HA   THR  41           HA       THR  41  -5.618  -4.470  -7.415
  266    HB   THR  41           HB       THR  41  -8.326  -3.661  -6.344
  267    HG1  THR  41           1HG      THR  41  -7.395  -1.766  -6.056
  268   HG21  THR  41          3HG2      THR  41  -7.810  -4.329  -4.257
  269   HG22  THR  41          1HG2      THR  41  -6.102  -3.911  -4.437
  270   HG23  THR  41          2HG2      THR  41  -6.705  -5.443  -5.074
  271    H    ASN  42           H        ASN  42  -8.814  -5.595  -8.263
  272    HA   ASN  42           HA       ASN  42  -8.318  -8.206  -7.000
  273    HB2  ASN  42           2HB      ASN  42 -10.675  -6.548  -7.420
  274    HB3  ASN  42           1HB      ASN  42 -10.912  -8.203  -7.958
  275   HD21  ASN  42          1HD2      ASN  42  -9.539  -6.411  -5.247
  276   HD22  ASN  42          2HD2      ASN  42 -10.151  -7.456  -4.013
  277    H    ASN  43           H        ASN  43  -7.377  -7.052  -9.651
  278    HA   ASN  43           HA       ASN  43  -8.742  -8.195 -11.816
  279    HB2  ASN  43           2HB      ASN  43  -6.830  -6.412 -11.719
  280    HB3  ASN  43           1HB      ASN  43  -5.771  -7.811 -11.873
  281   HD21  ASN  43          1HD2      ASN  43  -8.480  -6.142 -13.376
  282   HD22  ASN  43          2HD2      ASN  43  -8.106  -6.620 -15.001
  283    H    ASP  44           H        ASP  44  -6.537  -9.596  -9.566
  284    HA   ASP  44           HA       ASP  44  -6.465 -12.059 -11.177
  285    HB2  ASP  44           2HB      ASP  44  -4.236 -11.105 -11.094
  286    HB3  ASP  44           1HB      ASP  44  -4.350 -10.918  -9.345
  287    H    SER  45           H        SER  45  -7.112 -13.905 -10.183
  288    HA   SER  45           HA       SER  45  -8.590 -13.818  -7.818
  289    HB2  SER  45           2HB      SER  45  -7.389 -16.419  -8.564
  290    HB3  SER  45           1HB      SER  45  -9.078 -15.992  -8.280
  291    HG   SER  45           HG       SER  45  -9.302 -15.361 -10.326
  292    H    LEU  46           H        LEU  46  -5.194 -14.585  -8.366
  293    HA   LEU  46           HA       LEU  46  -4.740 -15.445  -5.663
  294    HB2  LEU  46           2HB      LEU  46  -3.374 -16.155  -7.661
  295    HB3  LEU  46           1HB      LEU  46  -2.681 -14.543  -7.674
  296    HG   LEU  46           HG       LEU  46  -2.231 -15.272  -5.092
  297   HD11  LEU  46          1HD1      LEU  46  -1.271 -17.731  -6.292
  298   HD12  LEU  46          2HD1      LEU  46  -2.128 -17.473  -4.771
  299   HD13  LEU  46          3HD1      LEU  46  -3.032 -17.638  -6.278
  300   HD21  LEU  46          3HD2      LEU  46  -0.206 -16.193  -7.031
  301   HD22  LEU  46          1HD2      LEU  46  -0.739 -14.521  -7.196
  302   HD23  LEU  46          2HD2      LEU  46  -0.056 -15.082  -5.670
  303    H    LEU  47           H        LEU  47  -4.224 -12.510  -7.537
  304    HA   LEU  47           HA       LEU  47  -2.968 -10.912  -5.645
  305    HB2  LEU  47           2HB      LEU  47  -4.031 -10.557  -8.183
  306    HB3  LEU  47           1HB      LEU  47  -4.979  -9.464  -7.186
  307    HG   LEU  47           HG       LEU  47  -2.937  -8.348  -6.438
  308   HD11  LEU  47          1HD1      LEU  47  -0.828  -9.065  -6.828
  309   HD12  LEU  47          2HD1      LEU  47  -1.629 -10.633  -6.934
  310   HD13  LEU  47          3HD1      LEU  47  -1.233  -9.744  -8.405
  311   HD21  LEU  47          3HD2      LEU  47  -2.121  -7.812  -8.949
  312   HD22  LEU  47          1HD2      LEU  47  -3.685  -8.560  -9.277
  313   HD23  LEU  47          2HD2      LEU  47  -3.584  -7.145  -8.228
  314    H    SER  48           H        SER  48  -6.418 -11.505  -6.156
  315    HA   SER  48           HA       SER  48  -7.361  -9.695  -4.228
  316    HB2  SER  48           2HB      SER  48  -8.687 -12.236  -5.166
  317    HB3  SER  48           1HB      SER  48  -9.476 -10.830  -4.451
  318    HG   SER  48           HG       SER  48  -9.627 -10.127  -6.406
  319    H    GLY  49           H        GLY  49  -5.666 -12.587  -3.761
  320    HA2  GLY  49           1HA      GLY  49  -6.691 -12.797  -0.993
  321    HA3  GLY  49           2HA      GLY  49  -5.826 -14.075  -1.840
  322    H    LEU  50           H        LEU  50  -4.298 -11.400  -2.762
  323    HA   LEU  50           HA       LEU  50  -2.081 -11.937  -0.991
  324    HB2  LEU  50           2HB      LEU  50  -2.406 -11.063  -3.652
  325    HB3  LEU  50           1HB      LEU  50  -1.632  -9.745  -2.794
  326    HG   LEU  50           HG       LEU  50  -0.028 -11.661  -1.948
  327   HD11  LEU  50          1HD1      LEU  50  -1.242 -12.784  -4.456
  328   HD12  LEU  50          2HD1      LEU  50   0.352 -13.257  -3.870
  329   HD13  LEU  50          3HD1      LEU  50  -1.076 -13.556  -2.879
  330   HD21  LEU  50          3HD2      LEU  50   0.258 -10.710  -4.783
  331   HD22  LEU  50          1HD2      LEU  50   0.443  -9.627  -3.404
  332   HD23  LEU  50          2HD2      LEU  50   1.522 -11.010  -3.591
  333    H    LEU  51           H        LEU  51  -4.545  -9.521  -1.368
  334    HA   LEU  51           HA       LEU  51  -3.074  -7.463  -0.012
  335    HB2  LEU  51           2HB      LEU  51  -5.304  -6.254   0.039
  336    HB3  LEU  51           1HB      LEU  51  -4.587  -6.570  -1.521
  337    HG   LEU  51           HG       LEU  51  -7.185  -6.895  -0.986
  338   HD11  LEU  51          1HD1      LEU  51  -6.497  -8.939  -2.853
  339   HD12  LEU  51          2HD1      LEU  51  -7.163  -7.331  -3.143
  340   HD13  LEU  51          3HD1      LEU  51  -5.416  -7.562  -3.059
  341   HD21  LEU  51          3HD2      LEU  51  -7.508  -8.653   0.370
  342   HD22  LEU  51          1HD2      LEU  51  -7.271  -9.589  -1.105
  343   HD23  LEU  51          2HD2      LEU  51  -5.929  -9.357   0.014
  344    H    GLY  52           H        GLY  52  -4.263 -10.203   1.173
  345    HA2  GLY  52           1HA      GLY  52  -4.534  -9.043   3.839
  346    HA3  GLY  52           2HA      GLY  52  -5.873 -10.014   3.248
  347    H    ALA  53           H        ALA  53  -2.492 -10.053   4.183
  348    HA   ALA  53           HA       ALA  53  -2.204 -12.898   3.957
  349    HB1  ALA  53           1HB      ALA  53  -0.299 -11.670   5.752
  350    HB2  ALA  53           2HB      ALA  53  -0.034 -12.440   4.189
  351    HB3  ALA  53           3HB      ALA  53  -0.466 -10.732   4.268
  352    H    GLY  54           H        GLY  54  -4.455 -12.663   5.314
  353    HA2  GLY  54           1HA      GLY  54  -4.178 -14.140   7.628
  354    HA3  GLY  54           2HA      GLY  54  -4.217 -12.459   8.144
  355    H    LEU  55           H        LEU  55  -6.126 -11.394   8.209
  356    HA   LEU  55           HA       LEU  55  -8.408 -12.395   6.713
  357    HB2  LEU  55           2HB      LEU  55  -8.085 -12.805   9.570
  358    HB3  LEU  55           1HB      LEU  55  -9.518 -11.859   9.217
  359    HG   LEU  55           HG       LEU  55  -9.015 -14.421   7.747
  360   HD11  LEU  55          1HD1      LEU  55  -8.864 -15.284   9.892
  361   HD12  LEU  55          2HD1      LEU  55  -9.971 -14.085  10.560
  362   HD13  LEU  55          3HD1      LEU  55 -10.591 -15.395   9.557
  363   HD21  LEU  55          3HD2      LEU  55 -11.010 -12.448   7.712
  364   HD22  LEU  55          1HD2      LEU  55 -11.027 -14.013   6.901
  365   HD23  LEU  55          2HD2      LEU  55 -11.719 -13.851   8.513
  366    H    LEU  56           H        LEU  56  -7.064 -10.188   6.126
  367    HA   LEU  56           HA       LEU  56  -8.186  -7.916   7.531
  368    HB2  LEU  56           2HB      LEU  56  -5.828  -8.400   6.001
  369    HB3  LEU  56           1HB      LEU  56  -6.716  -7.085   5.244
  370    HG   LEU  56           HG       LEU  56  -6.346  -6.966   8.192
  371   HD11  LEU  56          1HD1      LEU  56  -4.138  -7.389   7.917
  372   HD12  LEU  56          2HD1      LEU  56  -4.145  -6.910   6.218
  373   HD13  LEU  56          3HD1      LEU  56  -4.135  -5.679   7.480
  374   HD21  LEU  56          3HD2      LEU  56  -6.285  -4.937   5.967
  375   HD22  LEU  56          1HD2      LEU  56  -7.626  -5.253   7.064
  376   HD23  LEU  56          2HD2      LEU  56  -6.124  -4.570   7.683
  377    H    ASN  57           H        ASN  57  -8.602  -6.020   5.802
  378    HA   ASN  57           HA       ASN  57 -10.503  -6.985   3.818
  379    HB2  ASN  57           2HB      ASN  57 -11.275  -5.990   6.367
  380    HB3  ASN  57           1HB      ASN  57 -11.691  -4.769   5.175
  381   HD21  ASN  57          1HD2      ASN  57 -13.350  -6.605   6.791
  382   HD22  ASN  57          2HD2      ASN  57 -14.351  -7.430   5.650
  383    H    GLY  58           H        GLY  58 -11.606  -4.709   3.011
  384    HA2  GLY  58           1HA      GLY  58  -9.234  -3.209   2.078
  385    HA3  GLY  58           2HA      GLY  58 -10.618  -3.569   1.055
  386    H    LEU  59           H        LEU  59 -11.908  -1.897   0.726
  387    HA   LEU  59           HA       LEU  59 -11.719   0.526   2.160
  388    HB2  LEU  59           2HB      LEU  59 -12.737  -0.203  -0.242
  389    HB3  LEU  59           1HB      LEU  59 -14.216  -0.032   0.678
  390    HG   LEU  59           HG       LEU  59 -13.089   1.978  -0.697
  391   HD11  LEU  59          1HD1      LEU  59 -15.302   1.865   0.467
  392   HD12  LEU  59          2HD1      LEU  59 -14.486   2.415   1.929
  393   HD13  LEU  59          3HD1      LEU  59 -14.524   3.446   0.497
  394   HD21  LEU  59          3HD2      LEU  59 -11.758   3.397   0.574
  395   HD22  LEU  59          1HD2      LEU  59 -12.186   2.600   2.090
  396   HD23  LEU  59          2HD2      LEU  59 -11.107   1.797   0.947
  397    H    SER  60           H        SER  60 -12.959   1.402   3.733
  398    HA   SER  60           HA       SER  60 -14.133  -0.312   5.612
  399    HB2  SER  60           2HB      SER  60 -14.330   2.701   5.343
  400    HB3  SER  60           1HB      SER  60 -14.796   1.784   6.770
  401    HG   SER  60           HG       SER  60 -12.200   1.713   5.643
  402    H    GLY  61           H        GLY  61 -15.754  -1.517   4.583
  403    HA2  GLY  61           1HA      GLY  61 -18.174  -1.656   4.870
  404    HA3  GLY  61           2HA      GLY  61 -18.274  -0.013   4.256
  405    H    ASN  62           H        ASN  62 -16.401  -0.440   2.082
  406    HA   ASN  62           HA       ASN  62 -18.329  -1.648   0.264
  407    HB2  ASN  62           2HB      ASN  62 -17.273   0.647  -0.116
  408    HB3  ASN  62           1HB      ASN  62 -15.796  -0.215  -0.531
  409   HD21  ASN  62          1HD2      ASN  62 -15.539  -0.340  -2.642
  410   HD22  ASN  62          2HD2      ASN  62 -16.797  -0.571  -3.807
  411    H    THR  63           H        THR  63 -18.110  -3.798   0.203
  412    HA   THR  63           HA       THR  63 -15.569  -5.109   0.295
  413    HB   THR  63           HB       THR  63 -17.665  -6.776  -0.763
  414    HG1  THR  63           1HG      THR  63 -19.273  -6.386   0.656
  415   HG21  THR  63          3HG2      THR  63 -16.790  -6.919   2.072
  416   HG22  THR  63          1HG2      THR  63 -15.563  -7.140   0.826
  417   HG23  THR  63          2HG2      THR  63 -16.967  -8.205   0.877
  418    H    GLY  64           H        GLY  64 -14.346  -4.398  -1.411
  419    HA2  GLY  64           1HA      GLY  64 -14.367  -5.845  -3.762
  420    HA3  GLY  64           2HA      GLY  64 -15.229  -4.350  -4.121
  421    H    SER  65           H        SER  65 -13.954  -2.409  -2.924
  422    HA   SER  65           HA       SER  65 -11.388  -2.265  -4.174
  423    HB2  SER  65           2HB      SER  65 -11.921  -0.206  -2.186
  424    HB3  SER  65           1HB      SER  65 -11.693  -0.042  -3.927
  425    HG   SER  65           HG       SER  65 -13.754   0.582  -3.563
  426    H    ALA  66           H        ALA  66  -9.794  -3.458  -3.301
  427    HA   ALA  66           HA       ALA  66  -9.525  -3.490  -0.376
  428    HB1  ALA  66           1HB      ALA  66  -8.248  -5.506  -0.606
  429    HB2  ALA  66           2HB      ALA  66  -9.741  -5.686  -1.526
  430    HB3  ALA  66           3HB      ALA  66  -8.226  -5.347  -2.361
  431    H    CYS  67           H        CYS  67  -7.374  -3.251   0.522
  432    HA   CYS  67           HA       CYS  67  -5.507  -1.857  -1.270
  433    HB2  CYS  67           2HB      CYS  67  -6.102  -0.790   1.487
  434    HB3  CYS  67           1HB      CYS  67  -5.257   0.005   0.164
  435    H    ALA  68           H        ALA  68  -3.335  -2.016  -0.669
  436    HA   ALA  68           HA       ALA  68  -2.848  -4.144   1.294
  437    HB1  ALA  68           1HB      ALA  68  -1.969  -3.851  -1.356
  438    HB2  ALA  68           2HB      ALA  68  -0.552  -3.621  -0.327
  439    HB3  ALA  68           3HB      ALA  68  -1.511  -5.096  -0.192
  440    H    LYS  69           H        LYS  69  -1.677  -3.785   3.016
  441    HA   LYS  69           HA       LYS  69  -0.838  -1.083   3.612
  442    HB2  LYS  69           2HB      LYS  69  -0.134  -2.625   5.784
  443    HB3  LYS  69           1HB      LYS  69  -1.671  -1.795   5.591
  444    HG2  LYS  69           2HG      LYS  69  -1.546  -4.439   4.324
  445    HG3  LYS  69           1HG      LYS  69  -1.386  -4.456   6.080
  446    HD2  LYS  69           2HD      LYS  69  -3.556  -4.011   6.368
  447    HD3  LYS  69           1HD      LYS  69  -3.514  -2.684   5.206
  448    HE2  LYS  69           2HE      LYS  69  -3.468  -4.633   3.449
  449    HE3  LYS  69           1HE      LYS  69  -4.141  -5.573   4.778
  450    HZ1  LYS  69           3HZ      LYS  69  -5.430  -3.699   3.087
  451    HZ2  LYS  69           1HZ      LYS  69  -5.596  -3.226   4.705
  452    HZ3  LYS  69           2HZ      LYS  69  -6.112  -4.759   4.214
  453    H    ALA  70           H        ALA  70   1.332  -0.713   4.616
  454    HA   ALA  70           HA       ALA  70   3.365  -1.448   2.855
  455    HB1  ALA  70           1HB      ALA  70   3.464   0.526   4.291
  456    HB2  ALA  70           2HB      ALA  70   3.688  -0.510   5.701
  457    HB3  ALA  70           3HB      ALA  70   4.916  -0.466   4.433
  458    H    SER  71           H        SER  71   2.389  -2.920   5.900
  459    HA   SER  71           HA       SER  71   4.566  -4.688   6.189
  460    HB2  SER  71           2HB      SER  71   2.218  -5.873   7.259
  461    HB3  SER  71           1HB      SER  71   3.463  -4.977   8.128
  462    HG   SER  71           HG       SER  71   1.672  -3.807   8.501
  463    H    LEU  72           H        LEU  72   1.633  -4.759   4.320
  464    HA   LEU  72           HA       LEU  72   1.833  -7.542   3.609
  465    HB2  LEU  72           2HB      LEU  72  -0.094  -5.443   3.362
  466    HB3  LEU  72           1HB      LEU  72   0.189  -6.141   1.777
  467    HG   LEU  72           HG       LEU  72  -1.589  -7.361   2.636
  468   HD11  LEU  72          1HD1      LEU  72   0.758  -9.040   3.449
  469   HD12  LEU  72          2HD1      LEU  72  -0.781  -9.572   2.771
  470   HD13  LEU  72          3HD1      LEU  72   0.370  -8.689   1.768
  471   HD21  LEU  72          3HD2      LEU  72  -1.758  -8.202   4.872
  472   HD22  LEU  72          1HD2      LEU  72  -0.094  -7.739   5.223
  473   HD23  LEU  72          2HD2      LEU  72  -1.320  -6.497   4.972
  474    H    ILE  73           H        ILE  73   2.714  -4.449   2.255
  475    HA   ILE  73           HA       ILE  73   3.422  -5.384  -0.307
  476    HB   ILE  73           HB       ILE  73   4.413  -2.959   1.211
  477   HG12  ILE  73          2HG1      ILE  73   2.493  -2.933  -1.098
  478   HG13  ILE  73          1HG1      ILE  73   1.909  -3.299   0.523
  479   HG21  ILE  73          1HG2      ILE  73   4.780  -2.252  -1.331
  480   HG22  ILE  73          2HG2      ILE  73   6.034  -3.054  -0.383
  481   HG23  ILE  73          3HG2      ILE  73   5.036  -3.989  -1.498
  482   HD11  ILE  73          3HD1      ILE  73   3.584  -0.915   0.375
  483   HD12  ILE  73          1HD1      ILE  73   2.091  -0.815  -0.560
  484   HD13  ILE  73          2HD1      ILE  73   2.029  -1.171   1.167
  485    H    ASP  74           H        ASP  74   5.096  -5.144   2.747
  486    HA   ASP  74           HA       ASP  74   7.648  -6.018   1.809
  487    HB2  ASP  74           2HB      ASP  74   7.688  -4.825   3.832
  488    HB3  ASP  74           1HB      ASP  74   6.338  -5.732   4.501
  489    H    GLN  75           H        GLN  75   4.808  -7.608   3.167
  490    HA   GLN  75           HA       GLN  75   6.096 -10.141   3.520
  491    HB2  GLN  75           2HB      GLN  75   3.798  -8.942   4.469
  492    HB3  GLN  75           1HB      GLN  75   3.180 -10.189   3.396
  493    HG2  GLN  75           2HG      GLN  75   3.277 -11.279   5.412
  494    HG3  GLN  75           1HG      GLN  75   4.805 -11.748   4.668
  495   HE21  GLN  75          1HE2      GLN  75   5.444  -8.720   5.290
  496   HE22  GLN  75          2HE2      GLN  75   6.050  -8.822   6.896
  497    H    LEU  76           H        LEU  76   3.554  -9.022   1.243
  498    HA   LEU  76           HA       LEU  76   4.047 -11.504  -0.263
  499    HB2  LEU  76           2HB      LEU  76   1.614 -10.043   0.476
  500    HB3  LEU  76           1HB      LEU  76   1.655 -10.564  -1.198
  501    HG   LEU  76           HG       LEU  76   1.805 -12.858  -0.590
  502   HD11  LEU  76          1HD1      LEU  76   3.085 -11.900   1.731
  503   HD12  LEU  76          2HD1      LEU  76   1.656 -12.788   2.260
  504   HD13  LEU  76          3HD1      LEU  76   2.847 -13.576   1.227
  505   HD21  LEU  76          3HD2      LEU  76  -0.221 -13.211   0.615
  506   HD22  LEU  76          1HD2      LEU  76  -0.111 -11.624   1.373
  507   HD23  LEU  76          2HD2      LEU  76  -0.417 -11.753  -0.359
  508    H    GLY  77           H        GLY  77   3.819  -8.017  -0.498
  509    HA2  GLY  77           1HA      GLY  77   5.043  -6.723  -2.015
  510    HA3  GLY  77           2HA      GLY  77   5.447  -8.185  -2.897
  511    H    LEU  78           H        LEU  78   2.360  -6.632  -2.085
  512    HA   LEU  78           HA       LEU  78   1.202  -7.205  -4.607
  513    HB2  LEU  78           2HB      LEU  78   0.395  -5.276  -2.437
  514    HB3  LEU  78           1HB      LEU  78  -0.582  -5.629  -3.852
  515    HG   LEU  78           HG       LEU  78  -0.164  -8.128  -2.918
  516   HD11  LEU  78          1HD1      LEU  78   0.902  -6.685  -0.905
  517   HD12  LEU  78          2HD1      LEU  78  -0.774  -6.796  -0.367
  518   HD13  LEU  78          3HD1      LEU  78   0.147  -8.266  -0.696
  519   HD21  LEU  78          3HD2      LEU  78  -2.265  -6.634  -3.457
  520   HD22  LEU  78          1HD2      LEU  78  -2.409  -8.118  -2.516
  521   HD23  LEU  78          2HD2      LEU  78  -2.369  -6.557  -1.697
  522    H    LEU  79           H        LEU  79   1.973  -6.347  -6.407
  523    HA   LEU  79           HA       LEU  79   2.907  -3.599  -6.455
  524    HB2  LEU  79           2HB      LEU  79   3.086  -4.444  -9.033
  525    HB3  LEU  79           1HB      LEU  79   4.350  -4.630  -7.833
  526    HG   LEU  79           HG       LEU  79   2.992  -6.895  -7.357
  527   HD11  LEU  79          1HD1      LEU  79   2.456  -6.206 -10.236
  528   HD12  LEU  79          2HD1      LEU  79   2.425  -7.857  -9.619
  529   HD13  LEU  79          3HD1      LEU  79   1.293  -6.662  -8.992
  530   HD21  LEU  79          3HD2      LEU  79   5.420  -6.186  -8.448
  531   HD22  LEU  79          1HD2      LEU  79   4.914  -7.816  -8.012
  532   HD23  LEU  79          2HD2      LEU  79   4.716  -7.241  -9.667
  533    H    ALA  80           H        ALA  80  -0.014  -4.667  -6.330
  534    HA   ALA  80           HA       ALA  80  -1.246  -3.758  -8.741
  535    HB1  ALA  80           1HB      ALA  80  -2.121  -5.500  -7.057
  536    HB2  ALA  80           2HB      ALA  80  -2.705  -4.109  -6.139
  537    HB3  ALA  80           3HB      ALA  80  -3.280  -4.387  -7.786
  538    H    LEU  81           H        LEU  81  -0.313  -2.249  -5.763
  539    HA   LEU  81           HA       LEU  81  -1.831   0.162  -6.514
  540    HB2  LEU  81           2HB      LEU  81  -1.321   0.506  -3.862
  541    HB3  LEU  81           1HB      LEU  81  -2.828  -0.091  -4.535
  542    HG   LEU  81           HG       LEU  81  -0.939  -2.252  -4.182
  543   HD11  LEU  81          1HD1      LEU  81   0.049  -1.521  -2.298
  544   HD12  LEU  81          2HD1      LEU  81  -1.166  -0.274  -2.021
  545   HD13  LEU  81          3HD1      LEU  81  -1.488  -1.941  -1.536
  546   HD21  LEU  81          3HD2      LEU  81  -2.810  -3.360  -3.463
  547   HD22  LEU  81          1HD2      LEU  81  -3.459  -1.950  -2.627
  548   HD23  LEU  81          2HD2      LEU  81  -3.563  -2.058  -4.384
  549    H    VAL  82           H        VAL  82   1.123  -0.943  -6.778
  550    HA   VAL  82           HA       VAL  82   2.443   1.461  -5.721
  551    HB   VAL  82           HB       VAL  82   3.824  -1.010  -6.783
  552   HG11  VAL  82          1HG1      VAL  82   4.994   0.812  -4.749
  553   HG12  VAL  82          2HG1      VAL  82   5.782  -0.128  -6.016
  554   HG13  VAL  82          3HG1      VAL  82   4.926   1.358  -6.426
  555   HG21  VAL  82          3HG2      VAL  82   2.274  -0.883  -4.457
  556   HG22  VAL  82          1HG2      VAL  82   3.435  -2.132  -4.907
  557   HG23  VAL  82          2HG2      VAL  82   3.950  -0.765  -3.921
  558    H    ASP  83           H        ASP  83   3.458   2.882  -7.061
  559    HA   ASP  83           HA       ASP  83   3.124   2.351  -9.939
  560    HB2  ASP  83           2HB      ASP  83   1.662   4.161  -8.820
  561    HB3  ASP  83           1HB      ASP  83   3.133   5.124  -8.766
  562    H    HIS  84           H        HIS  84   4.504   3.739 -11.317
  563    HA   HIS  84           HA       HIS  84   7.228   3.283 -10.914
  564    HB2  HIS  84           2HB      HIS  84   7.590   4.687 -12.860
  565    HB3  HIS  84           1HB      HIS  84   6.129   3.741 -13.120
  566    HD1  HIS  84           1HD      HIS  84   7.365   7.217 -12.808
  567    HD2  HIS  84           2HD      HIS  84   3.708   5.252 -12.998
  568    HE1  HIS  84           1HE      HIS  84   5.638   9.021 -13.133
  569    HE2  HIS  84           2HE      HIS  84   3.431   7.814 -13.081
  570    H    THR  85           H        THR  85   8.963   4.688 -10.346
  571    HA   THR  85           HA       THR  85   8.318   7.263  -9.180
  572    HB   THR  85           HB       THR  85   7.739   5.700  -7.392
  573    HG1  THR  85           1HG      THR  85   8.870   6.739  -5.816
  574   HG21  THR  85          3HG2      THR  85  10.611   4.813  -7.588
  575   HG22  THR  85          1HG2      THR  85   9.196   3.865  -8.044
  576   HG23  THR  85          2HG2      THR  85   9.454   4.306  -6.355
  577    H    GLU  86           H        GLU  86  10.144   8.525  -8.649
  578    HA   GLU  86           HA       GLU  86  12.718   7.497  -9.662
  579    HB2  GLU  86           2HB      GLU  86  12.867  10.301  -9.336
  580    HB3  GLU  86           1HB      GLU  86  12.854   9.397 -10.839
  581    HG2  GLU  86           2HG      GLU  86  11.166  11.005 -11.044
  582    HG3  GLU  86           1HG      GLU  86  10.330   9.487 -10.718
  583    H    GLU  87           H        GLU  87  11.037   7.945  -6.944
  584    HA   GLU  87           HA       GLU  87  13.400   8.640  -5.325
  585    HB2  GLU  87           2HB      GLU  87  11.149  10.039  -5.280
  586    HB3  GLU  87           1HB      GLU  87  10.631   8.741  -4.213
  587    HG2  GLU  87           2HG      GLU  87  13.218  10.114  -3.674
  588    HG3  GLU  87           1HG      GLU  87  11.704  10.911  -3.251
  589    H    GLY  88           H        GLY  88  10.420   7.258  -4.160
  590    HA2  GLY  88           1HA      GLY  88  11.559   4.556  -4.171
  591    HA3  GLY  88           2HA      GLY  88  10.970   5.228  -2.651
  592    HA   PRO  89           HA       PRO  89   7.654   3.097  -5.620
  593    HB2  PRO  89           2HB      PRO  89   7.578   1.442  -3.125
  594    HB3  PRO  89           1HB      PRO  89   7.271   0.961  -4.798
  595    HG2  PRO  89           2HG      PRO  89   9.589   0.383  -3.628
  596    HG3  PRO  89           1HG      PRO  89   9.531   0.891  -5.328
  597    HD2  PRO  89           2HD      PRO  89  10.435   2.401  -2.929
  598    HD3  PRO  89           1HD      PRO  89  10.982   2.527  -4.612
  599    H    VAL  90           H        VAL  90   5.848   4.281  -5.500
  600    HA   VAL  90           HA       VAL  90   4.933   5.220  -2.860
  601    HB   VAL  90           HB       VAL  90   4.016   7.213  -4.244
  602   HG11  VAL  90          1HG1      VAL  90   6.545   6.692  -2.975
  603   HG12  VAL  90          2HG1      VAL  90   6.723   7.896  -4.252
  604   HG13  VAL  90          3HG1      VAL  90   5.558   8.156  -2.956
  605   HG21  VAL  90          3HG2      VAL  90   4.483   6.287  -6.457
  606   HG22  VAL  90          1HG2      VAL  90   5.367   7.792  -6.211
  607   HG23  VAL  90          2HG2      VAL  90   6.207   6.247  -6.089
  608    H    CYS  91           H        CYS  91   2.639   6.258  -3.189
  609    HA   CYS  91           HA       CYS  91   0.840   4.166  -3.797
  610    HB2  CYS  91           2HB      CYS  91   0.594   6.167  -2.161
  611    HB3  CYS  91           1HB      CYS  91   0.039   7.056  -3.574
  612    H    LYS  92           H        LYS  92  -0.221   3.675  -5.606
  613    HA   LYS  92           HA       LYS  92   0.532   4.953  -8.061
  614    HB2  LYS  92           2HB      LYS  92   0.189   2.484  -7.738
  615    HB3  LYS  92           1HB      LYS  92  -1.536   2.798  -7.633
  616    HG2  LYS  92           2HG      LYS  92  -1.754   3.010  -9.850
  617    HG3  LYS  92           1HG      LYS  92  -0.261   3.943 -10.003
  618    HD2  LYS  92           2HD      LYS  92   1.050   1.902  -9.841
  619    HD3  LYS  92           1HD      LYS  92  -0.425   0.957  -9.632
  620    HE2  LYS  92           2HE      LYS  92  -0.502   0.731 -11.847
  621    HE3  LYS  92           1HE      LYS  92  -0.828   2.459 -11.956
  622    HZ1  LYS  92           3HZ      LYS  92   1.046   1.950 -13.319
  623    HZ2  LYS  92           1HZ      LYS  92   1.825   1.129 -12.056
  624    HZ3  LYS  92           2HZ      LYS  92   1.619   2.808 -11.971
  625    H    ASN  93           H        ASN  93  -2.215   5.092  -5.919
  626    HA   ASN  93           HA       ASN  93  -3.541   6.956  -7.712
  627    HB2  ASN  93           2HB      ASN  93  -4.309   4.183  -7.527
  628    HB3  ASN  93           1HB      ASN  93  -5.619   5.210  -6.948
  629   HD21  ASN  93          1HD2      ASN  93  -3.970   4.001  -9.656
  630   HD22  ASN  93          2HD2      ASN  93  -4.814   4.895 -10.864
  631    H    ILE  94           H        ILE  94  -5.055   5.045  -5.159
  632    HA   ILE  94           HA       ILE  94  -5.931   7.580  -3.992
  633    HB   ILE  94           HB       ILE  94  -6.998   4.765  -3.808
  634   HG12  ILE  94          2HG1      ILE  94  -8.777   6.935  -4.630
  635   HG13  ILE  94          1HG1      ILE  94  -7.387   6.738  -5.694
  636   HG21  ILE  94          1HG2      ILE  94  -7.169   6.168  -1.655
  637   HG22  ILE  94          2HG2      ILE  94  -8.363   7.107  -2.551
  638   HG23  ILE  94          3HG2      ILE  94  -8.624   5.384  -2.280
  639   HD11  ILE  94          3HD1      ILE  94  -8.428   4.163  -5.154
  640   HD12  ILE  94          1HD1      ILE  94  -9.775   5.218  -5.583
  641   HD13  ILE  94          2HD1      ILE  94  -8.405   5.044  -6.682
  642    H    VAL  95           H        VAL  95  -5.085   8.293  -2.154
  643    HA   VAL  95           HA       VAL  95  -3.339   6.607  -0.580
  644    HB   VAL  95           HB       VAL  95  -3.342   8.836   0.876
  645   HG11  VAL  95          1HG1      VAL  95  -1.785   9.536  -1.371
  646   HG12  VAL  95          2HG1      VAL  95  -1.262   8.754   0.121
  647   HG13  VAL  95          3HG1      VAL  95  -1.774   7.777  -1.254
  648   HG21  VAL  95          3HG2      VAL  95  -4.707   9.575  -1.639
  649   HG22  VAL  95          1HG2      VAL  95  -4.804  10.305  -0.035
  650   HG23  VAL  95          2HG2      VAL  95  -3.435  10.667  -1.088
  651    H    ALA  96           H        ALA  96  -3.843   5.606   1.265
  652    HA   ALA  96           HA       ALA  96  -6.048   6.484   2.914
  653    HB1  ALA  96           1HB      ALA  96  -6.194   4.035   1.218
  654    HB2  ALA  96           2HB      ALA  96  -6.953   4.028   2.809
  655    HB3  ALA  96           3HB      ALA  96  -7.446   5.215   1.602
  656    H    CYS  97           H        CYS  97  -6.283   4.919   4.845
  657    HA   CYS  97           HA       CYS  97  -3.600   3.944   5.562
  658    HB2  CYS  97           2HB      CYS  97  -5.216   4.418   7.885
  659    HB3  CYS  97           1HB      CYS  97  -3.674   5.141   7.439
  660    H    CYS  98           H        CYS  98  -3.394   1.866   5.964
  661    HA   CYS  98           HA       CYS  98  -5.823   0.253   6.431
  662    HB2  CYS  98           2HB      CYS  98  -3.355  -0.237   4.817
  663    HB3  CYS  98           1HB      CYS  98  -4.149  -1.604   5.585
  664    HA   PRO  99           HA       PRO  99  -3.639  -0.789  10.244
  665    HB2  PRO  99           2HB      PRO  99  -5.682  -2.137  11.383
  666    HB3  PRO  99           1HB      PRO  99  -5.630  -0.373  11.341
  667    HG2  PRO  99           2HG      PRO  99  -7.146  -2.265   9.593
  668    HG3  PRO  99           1HG      PRO  99  -7.677  -0.732  10.310
  669    HD2  PRO  99           2HD      PRO  99  -6.854  -0.980   7.718
  670    HD3  PRO  99           1HD      PRO  99  -6.704   0.521   8.654
  671    H    GLU 100           H        GLU 100  -2.424  -2.574  10.654
  672    HA   GLU 100           HA       GLU 100  -2.705  -4.922   9.040
  673    HB2  GLU 100           2HB      GLU 100  -0.616  -3.747  10.421
  674    HB3  GLU 100           1HB      GLU 100  -0.978  -5.165  11.396
  675    HG2  GLU 100           2HG      GLU 100  -0.968  -5.956   8.677
  676    HG3  GLU 100           1HG      GLU 100   0.485  -5.002   8.981
  677    H    GLY 101           H        GLY 101  -3.455  -6.917   9.637
  678    HA2  GLY 101           1HA      GLY 101  -4.006  -8.455  11.475
  679    HA3  GLY 101           2HA      GLY 101  -4.726  -7.082  12.294
  680    H    THR 102           H        THR 102  -6.744  -6.282  11.580
  681    HA   THR 102           HA       THR 102  -8.195  -7.961   9.668
  682    HB   THR 102           HB       THR 102 -10.087  -7.741  11.605
  683    HG1  THR 102           1HG      THR 102  -7.552  -7.902  12.865
  684   HG21  THR 102          3HG2      THR 102  -8.069  -9.927  11.139
  685   HG22  THR 102          1HG2      THR 102  -9.711  -9.812  10.509
  686   HG23  THR 102          2HG2      THR 102  -9.446 -10.123  12.225
  687    H    THR 103           H        THR 103 -10.558  -7.100   9.589
  688    HA   THR 103           HA       THR 103 -12.066  -5.504   9.153
  689    HB   THR 103           HB       THR 103 -10.748  -3.362  10.722
  690    HG1  THR 103           1HG      THR 103 -11.879  -4.917  12.524
  691   HG21  THR 103          3HG2      THR 103 -13.354  -4.107   9.886
  692   HG22  THR 103          1HG2      THR 103 -12.869  -2.675  10.792
  693   HG23  THR 103          2HG2      THR 103 -13.327  -4.148  11.647
  694    H    ASN 104           H        ASN 104 -11.764  -2.660   8.923
  695    HA   ASN 104           HA       ASN 104 -10.931  -2.925   6.129
  696    HB2  ASN 104           2HB      ASN 104 -12.878  -1.079   7.510
  697    HB3  ASN 104           1HB      ASN 104 -12.449  -0.930   5.810
  698   HD21  ASN 104          1HD2      ASN 104 -14.844  -1.850   7.630
  699   HD22  ASN 104          2HD2      ASN 104 -15.455  -3.202   6.750
  700    H    CYS 105           H        CYS 105 -10.392  -0.845   5.044
  701    HA   CYS 105           HA       CYS 105  -8.535   0.767   6.676
  702    HB2  CYS 105           2HB      CYS 105  -8.603   0.487   3.673
  703    HB3  CYS 105           1HB      CYS 105  -7.331   1.211   4.650
  704    H    VAL 106           H        VAL 106  -8.751   2.988   6.659
  705    HA   VAL 106           HA       VAL 106 -11.183   4.048   5.453
  706    HB   VAL 106           HB       VAL 106 -11.229   5.693   7.045
  707   HG11  VAL 106          1HG1      VAL 106 -10.649   4.804   9.188
  708   HG12  VAL 106          2HG1      VAL 106 -11.163   3.469   8.156
  709   HG13  VAL 106          3HG1      VAL 106  -9.449   3.731   8.469
  710   HG21  VAL 106          3HG2      VAL 106  -9.423   7.049   6.836
  711   HG22  VAL 106          1HG2      VAL 106  -8.932   6.216   8.314
  712   HG23  VAL 106          2HG2      VAL 106  -8.285   5.703   6.753
  713    H    ALA 107           H        ALA 107 -11.201   5.745   4.008
  714    HA   ALA 107           HA       ALA 107  -8.623   6.333   2.725
  715    HB1  ALA 107           1HB      ALA 107 -10.662   7.279   1.071
  716    HB2  ALA 107           2HB      ALA 107  -9.697   5.824   0.840
  717    HB3  ALA 107           3HB      ALA 107 -11.246   5.733   1.678
  718    H    VAL 108           H        VAL 108  -7.784   8.234   3.219
  719    HA   VAL 108           HA       VAL 108  -9.481  10.237   4.446
  720    HB   VAL 108           HB       VAL 108  -7.312   9.467   5.478
  721   HG11  VAL 108          1HG1      VAL 108  -5.568  11.263   4.177
  722   HG12  VAL 108          2HG1      VAL 108  -5.460   9.503   4.271
  723   HG13  VAL 108          3HG1      VAL 108  -6.324  10.266   2.935
  724   HG21  VAL 108          3HG2      VAL 108  -8.507  11.556   6.097
  725   HG22  VAL 108          1HG2      VAL 108  -6.764  11.621   6.358
  726   HG23  VAL 108          2HG2      VAL 108  -7.478  12.427   4.961
  727    H    ASP 109           H        ASP 109  -8.616   9.540   1.444
  728    HA   ASP 109           HA       ASP 109  -9.301  12.203   0.539
  729    HB2  ASP 109           2HB      ASP 109  -6.827  12.251   0.513
  730    HB3  ASP 109           1HB      ASP 109  -6.818  10.831  -0.530
  731    H    ASN 110           H        ASN 110 -10.244  12.234  -1.487
  732    HA   ASN 110           HA       ASN 110 -10.933   9.572  -2.551
  733    HB2  ASN 110           2HB      ASN 110 -12.647  11.950  -1.925
  734    HB3  ASN 110           1HB      ASN 110 -13.108  10.884  -3.247
  735   HD21  ASN 110          1HD2      ASN 110 -12.248  10.891   0.185
  736   HD22  ASN 110          2HD2      ASN 110 -13.257   9.549   0.611
  737    H    ALA 111           H        ALA 111  -8.994  11.909  -3.245
  738    HA   ALA 111           HA       ALA 111  -9.874  12.244  -6.033
  739    HB1  ALA 111           1HB      ALA 111  -9.222  14.400  -6.050
  740    HB2  ALA 111           2HB      ALA 111  -9.546  14.257  -4.325
  741    HB3  ALA 111           3HB      ALA 111  -7.893  14.125  -4.923
  742    H    GLY 112           H        GLY 112  -6.860  12.318  -4.126
  743    HA2  GLY 112           1HA      GLY 112  -4.811  11.327  -4.627
  744    HA3  GLY 112           2HA      GLY 112  -5.530  10.632  -6.075
  745    H    ALA 113           H        ALA 113  -4.374  13.677  -4.685
  746    HA   ALA 113           HA       ALA 113  -4.411  15.030  -7.222
  747    HB1  ALA 113           1HB      ALA 113  -4.797  16.549  -5.565
  748    HB2  ALA 113           2HB      ALA 113  -3.693  15.762  -4.435
  749    HB3  ALA 113           3HB      ALA 113  -3.054  16.751  -5.748
  750    H    GLY 114           H        GLY 114  -3.041  13.772  -8.529
  751    HA2  GLY 114           1HA      GLY 114  -1.008  13.875  -9.690
  752    HA3  GLY 114           2HA      GLY 114  -0.252  14.554  -8.259
  753    H    THR 115           H        THR 115   1.466  13.048  -8.692
  754    HA   THR 115           HA       THR 115   0.847  10.262  -8.002
  755    HB   THR 115           HB       THR 115   3.333   9.968  -8.709
  756    HG1  THR 115           1HG      THR 115   2.755  12.399 -10.104
  757   HG21  THR 115          3HG2      THR 115   2.541  10.186 -11.211
  758   HG22  THR 115          1HG2      THR 115   0.968  10.454 -10.461
  759   HG23  THR 115          2HG2      THR 115   1.850   8.959 -10.147
  760    H    LYS 116           H        LYS 116   3.830  12.082  -7.538
  761    HA   LYS 116           HA       LYS 116   3.508  12.138  -4.650
  762    HB2  LYS 116           2HB      LYS 116   5.753  11.053  -4.307
  763    HB3  LYS 116           1HB      LYS 116   4.500   9.962  -4.880
  764    HG2  LYS 116           2HG      LYS 116   5.600   9.508  -6.773
  765    HG3  LYS 116           1HG      LYS 116   6.047  11.193  -7.029
  766    HD2  LYS 116           2HD      LYS 116   7.391   9.476  -4.958
  767    HD3  LYS 116           1HD      LYS 116   7.946   9.542  -6.633
  768    HE2  LYS 116           2HE      LYS 116   7.573  12.017  -4.969
  769    HE3  LYS 116           1HE      LYS 116   9.080  11.102  -4.953
  770    HZ1  LYS 116           3HZ      LYS 116   9.225  11.430  -7.372
  771    HZ2  LYS 116           1HZ      LYS 116   9.219  12.901  -6.521
  772    HZ3  LYS 116           2HZ      LYS 116   7.819  12.379  -7.322
  773    H    ALA 117           H        ALA 117   3.824  13.955  -7.016
  774    HA   ALA 117           HA       ALA 117   6.353  15.270  -6.291
  775    HB1  ALA 117           1HB      ALA 117   5.534  14.446  -8.770
  776    HB2  ALA 117           2HB      ALA 117   5.109  16.160  -8.774
  777    HB3  ALA 117           3HB      ALA 117   6.770  15.664  -8.450
  778    H    GLU 118           H        GLU 118   6.126  16.979  -5.058
  779    HA   GLU 118           HA       GLU 118   3.958  18.868  -5.642
  780    HB2  GLU 118           2HB      GLU 118   4.651  19.097  -2.888
  781    HB3  GLU 118           1HB      GLU 118   3.100  18.659  -3.586
  782    HG2  GLU 118           2HG      GLU 118   3.344  16.490  -3.083
  783    HG3  GLU 118           1HG      GLU 118   5.054  16.476  -3.514
  Start of MODEL    8
    1    H1   SER   1           1H       SER   1  18.520  20.539  14.426
    2    H2   SER   1           2H       SER   1  18.534  19.953  16.013
    3    H3   SER   1           3H       SER   1  17.064  20.127  15.190
    4    HA   SER   1           HA       SER   1  17.260  18.218  14.106
    5    HB2  SER   1           2HB      SER   1  20.186  17.980  13.959
    6    HB3  SER   1           1HB      SER   1  18.979  17.862  12.678
    7    HG   SER   1           HG       SER   1  20.503  20.009  13.479
    8    H    LEU   2           H        LEU   2  16.750  16.581  15.362
    9    HA   LEU   2           HA       LEU   2  18.569  15.009  16.783
   10    HB2  LEU   2           2HB      LEU   2  18.101  17.263  18.235
   11    HB3  LEU   2           1HB      LEU   2  16.819  16.227  18.830
   12    HG   LEU   2           HG       LEU   2  19.077  16.281  20.093
   13   HD11  LEU   2          1HD1      LEU   2  18.317  13.486  19.470
   14   HD12  LEU   2          2HD1      LEU   2  18.546  14.281  21.027
   15   HD13  LEU   2          3HD1      LEU   2  17.068  14.554  20.107
   16   HD21  LEU   2          3HD2      LEU   2  19.786  14.376  17.866
   17   HD22  LEU   2          1HD2      LEU   2  20.497  15.970  18.113
   18   HD23  LEU   2          2HD2      LEU   2  20.742  14.699  19.312
   19    HA   PRO   3           HA       PRO   3  14.830  12.671  15.927
   20    HB2  PRO   3           2HB      PRO   3  16.490  10.408  16.819
   21    HB3  PRO   3           1HB      PRO   3  15.702  10.672  15.262
   22    HG2  PRO   3           2HG      PRO   3  18.361  10.841  15.523
   23    HG3  PRO   3           1HG      PRO   3  17.465  11.916  14.431
   24    HD2  PRO   3           2HD      PRO   3  18.524  12.469  17.183
   25    HD3  PRO   3           1HD      PRO   3  18.588  13.489  15.729
   26    H    ALA   4           H        ALA   4  13.748  13.564  17.779
   27    HA   ALA   4           HA       ALA   4  14.021  12.088  20.284
   28    HB1  ALA   4           1HB      ALA   4  12.674  14.637  19.489
   29    HB2  ALA   4           2HB      ALA   4  12.172  13.800  20.959
   30    HB3  ALA   4           3HB      ALA   4  13.843  14.340  20.777
   31    H    SER   5           H        SER   5  11.913  11.472  21.375
   32    HA   SER   5           HA       SER   5  10.483   9.666  19.739
   33    HB2  SER   5           2HB      SER   5   9.256  10.479  22.303
   34    HB3  SER   5           1HB      SER   5   9.665   8.872  21.703
   35    HG   SER   5           HG       SER   5  11.210   9.065  23.130
   36    H    ALA   6           H        ALA   6   8.170   9.637  19.403
   37    HA   ALA   6           HA       ALA   6   6.212  10.468  18.639
   38    HB1  ALA   6           1HB      ALA   6   5.659  12.901  19.481
   39    HB2  ALA   6           2HB      ALA   6   5.581  11.515  20.568
   40    HB3  ALA   6           3HB      ALA   6   6.992  12.576  20.589
   41    H    ALA   7           H        ALA   7   7.581  10.378  16.648
   42    HA   ALA   7           HA       ALA   7   7.394  12.959  15.291
   43    HB1  ALA   7           1HB      ALA   7   9.620  11.911  14.105
   44    HB2  ALA   7           2HB      ALA   7   9.633  13.150  15.363
   45    HB3  ALA   7           3HB      ALA   7   9.863  11.454  15.794
   46    H    LYS   8           H        LYS   8   6.911  12.784  13.080
   47    HA   LYS   8           HA       LYS   8   5.871  10.143  12.342
   48    HB2  LYS   8           2HB      LYS   8   5.111  12.942  11.694
   49    HB3  LYS   8           1HB      LYS   8   4.826  11.723  10.457
   50    HG2  LYS   8           2HG      LYS   8   3.219  10.664  11.677
   51    HG3  LYS   8           1HG      LYS   8   3.915  11.155  13.220
   52    HD2  LYS   8           2HD      LYS   8   2.066  12.504  13.176
   53    HD3  LYS   8           1HD      LYS   8   3.237  13.557  12.375
   54    HE2  LYS   8           2HE      LYS   8   2.239  12.094  10.286
   55    HE3  LYS   8           1HE      LYS   8   0.825  12.278  11.327
   56    HZ1  LYS   8           3HZ      LYS   8   2.542  14.545  10.462
   57    HZ2  LYS   8           1HZ      LYS   8   1.048  14.633  11.266
   58    HZ3  LYS   8           2HZ      LYS   8   1.120  14.081   9.664
   59    H    ASN   9           H        ASN   9   8.105   9.488  11.858
   60    HA   ASN   9           HA       ASN   9   8.739  10.217   9.095
   61    HB2  ASN   9           2HB      ASN   9  10.339  10.869  11.334
   62    HB3  ASN   9           1HB      ASN   9  11.177   9.590  10.455
   63   HD21  ASN   9          1HD2      ASN   9   8.998  11.911   9.023
   64   HD22  ASN   9          2HD2      ASN   9  10.192  12.737   8.080
   65    H    ALA  10           H        ALA  10   8.528   8.527   7.901
   66    HA   ALA  10           HA       ALA  10   9.852   6.056   8.439
   67    HB1  ALA  10           1HB      ALA  10   7.063   5.384   8.082
   68    HB2  ALA  10           2HB      ALA  10   8.208   4.813   9.295
   69    HB3  ALA  10           3HB      ALA  10   7.319   6.316   9.558
   70    H    LYS  11           H        LYS  11  10.289   5.076   6.529
   71    HA   LYS  11           HA       LYS  11   8.741   5.931   4.176
   72    HB2  LYS  11           2HB      LYS  11  11.666   5.273   4.034
   73    HB3  LYS  11           1HB      LYS  11  10.690   6.192   2.900
   74    HG2  LYS  11           2HG      LYS  11  10.667   8.086   4.301
   75    HG3  LYS  11           1HG      LYS  11  11.300   7.174   5.671
   76    HD2  LYS  11           2HD      LYS  11  12.789   7.703   3.100
   77    HD3  LYS  11           1HD      LYS  11  13.006   8.607   4.603
   78    HE2  LYS  11           2HE      LYS  11  13.234   5.859   5.237
   79    HE3  LYS  11           1HE      LYS  11  14.206   6.141   3.792
   80    HZ1  LYS  11           3HZ      LYS  11  15.719   7.239   4.963
   81    HZ2  LYS  11           1HZ      LYS  11  14.958   6.652   6.361
   82    HZ3  LYS  11           2HZ      LYS  11  14.559   8.187   5.758
   83    H    LEU  12           H        LEU  12   8.312   4.363   2.642
   84    HA   LEU  12           HA       LEU  12   8.616   1.634   3.509
   85    HB2  LEU  12           2HB      LEU  12   7.683   1.868   0.792
   86    HB3  LEU  12           1HB      LEU  12   6.880   1.177   2.186
   87    HG   LEU  12           HG       LEU  12   6.900   4.135   1.599
   88   HD11  LEU  12          1HD1      LEU  12   5.561   3.684  -0.118
   89   HD12  LEU  12          2HD1      LEU  12   5.404   1.986   0.337
   90   HD13  LEU  12          3HD1      LEU  12   4.362   3.199   1.081
   91   HD21  LEU  12          3HD2      LEU  12   4.795   3.956   3.036
   92   HD22  LEU  12          1HD2      LEU  12   5.405   2.372   3.514
   93   HD23  LEU  12          2HD2      LEU  12   6.354   3.820   3.851
   94    H    ALA  13           H        ALA  13  10.943   1.736   3.522
   95    HA   ALA  13           HA       ALA  13  12.950   1.025   2.746
   96    HB1  ALA  13           1HB      ALA  13  13.152  -0.199   0.722
   97    HB2  ALA  13           2HB      ALA  13  11.596  -0.620   1.433
   98    HB3  ALA  13           3HB      ALA  13  11.671   0.501   0.074
   99    H    THR  14           H        THR  14  11.136   3.269   0.805
  100    HA   THR  14           HA       THR  14  13.489   4.949   0.537
  101    HB   THR  14           HB       THR  14  12.168   5.106  -1.978
  102    HG1  THR  14           1HG      THR  14  12.966   2.461  -1.255
  103   HG21  THR  14          3HG2      THR  14  14.290   5.254  -2.704
  104   HG22  THR  14          1HG2      THR  14  14.761   3.750  -1.916
  105   HG23  THR  14          2HG2      THR  14  14.713   5.250  -0.990
  106    H    SER  15           H        SER  15  10.262   4.811  -0.944
  107    HA   SER  15           HA       SER  15   8.398   6.076  -0.765
  108    HB2  SER  15           2HB      SER  15   9.696   6.596   1.856
  109    HB3  SER  15           1HB      SER  15   8.394   7.680   1.362
  110    HG   SER  15           HG       SER  15   7.144   5.726   0.977
  111    H    ALA  16           H        ALA  16  10.946   8.227   0.514
  112    HA   ALA  16           HA       ALA  16  11.488  10.379   0.095
  113    HB1  ALA  16           1HB      ALA  16  11.399  11.029  -2.403
  114    HB2  ALA  16           2HB      ALA  16  12.491   9.741  -1.893
  115    HB3  ALA  16           3HB      ALA  16  10.954   9.342  -2.658
  116    H    ALA  17           H        ALA  17   9.075  10.372  -2.475
  117    HA   ALA  17           HA       ALA  17   7.863  12.736  -1.427
  118    HB1  ALA  17           1HB      ALA  17   7.943  11.510  -3.897
  119    HB2  ALA  17           2HB      ALA  17   6.257  11.345  -3.405
  120    HB3  ALA  17           3HB      ALA  17   7.008  12.943  -3.468
  121    H    PHE  18           H        PHE  18   7.080   9.317  -1.388
  122    HA   PHE  18           HA       PHE  18   4.457   9.631  -0.316
  123    HB2  PHE  18           2HB      PHE  18   5.450   7.567  -1.503
  124    HB3  PHE  18           1HB      PHE  18   6.153   7.172   0.061
  125    HD1  PHE  18           2HD      PHE  18   2.881   8.009  -1.509
  126    HD2  PHE  18           1HD      PHE  18   4.939   5.917   1.572
  127    HE1  PHE  18           2HE      PHE  18   0.767   6.958  -0.821
  128    HE2  PHE  18           1HE      PHE  18   2.827   4.858   2.268
  129    HZ   PHE  18           HZ       PHE  18   0.736   5.381   1.072
  130    H    ALA  19           H        ALA  19   7.582   9.887   1.033
  131    HA   ALA  19           HA       ALA  19   6.842   9.209   3.726
  132    HB1  ALA  19           1HB      ALA  19   9.161   9.031   2.908
  133    HB2  ALA  19           2HB      ALA  19   9.223  10.787   2.761
  134    HB3  ALA  19           3HB      ALA  19   9.023  10.040   4.347
  135    H    LYS  20           H        LYS  20   6.398  11.913   1.699
  136    HA   LYS  20           HA       LYS  20   6.104  13.815   3.868
  137    HB2  LYS  20           2HB      LYS  20   5.442  13.985   0.917
  138    HB3  LYS  20           1HB      LYS  20   5.233  15.313   2.051
  139    HG2  LYS  20           2HG      LYS  20   7.405  15.839   2.009
  140    HG3  LYS  20           1HG      LYS  20   7.913  14.147   2.070
  141    HD2  LYS  20           2HD      LYS  20   7.070  14.082  -0.390
  142    HD3  LYS  20           1HD      LYS  20   7.227  15.839  -0.306
  143    HE2  LYS  20           2HE      LYS  20   9.580  14.777   0.804
  144    HE3  LYS  20           1HE      LYS  20   9.258  13.843  -0.657
  145    HZ1  LYS  20           3HZ      LYS  20  10.622  16.002  -0.825
  146    HZ2  LYS  20           1HZ      LYS  20   9.121  16.790  -0.711
  147    HZ3  LYS  20           2HZ      LYS  20   9.418  15.710  -1.987
  148    H    GLN  21           H        GLN  21   4.300  11.550   2.064
  149    HA   GLN  21           HA       GLN  21   1.689  12.445   2.649
  150    HB2  GLN  21           2HB      GLN  21   2.849  10.412   1.147
  151    HB3  GLN  21           1HB      GLN  21   1.955   9.559   2.399
  152    HG2  GLN  21           2HG      GLN  21   0.113   9.854   1.222
  153    HG3  GLN  21           1HG      GLN  21   0.276  11.591   1.480
  154   HE21  GLN  21          1HE2      GLN  21  -0.327   9.502  -0.826
  155   HE22  GLN  21          2HE2      GLN  21   0.414  10.279  -2.183
  156    H    ALA  22           H        ALA  22   4.026  10.476   4.351
  157    HA   ALA  22           HA       ALA  22   2.298   9.482   6.356
  158    HB1  ALA  22           1HB      ALA  22   4.671   9.487   7.612
  159    HB2  ALA  22           2HB      ALA  22   4.219   8.284   6.405
  160    HB3  ALA  22           3HB      ALA  22   5.221   9.661   5.946
  161    H    GLU  23           H        GLU  23   3.622  12.577   5.785
  162    HA   GLU  23           HA       GLU  23   3.094  13.428   8.535
  163    HB2  GLU  23           2HB      GLU  23   4.811  14.433   6.350
  164    HB3  GLU  23           1HB      GLU  23   4.024  15.666   7.325
  165    HG2  GLU  23           2HG      GLU  23   5.573  13.410   8.546
  166    HG3  GLU  23           1HG      GLU  23   6.337  14.916   8.041
  167    H    GLY  24           H        GLY  24   2.318  14.354   5.177
  168    HA2  GLY  24           1HA      GLY  24   0.407  16.320   5.906
  169    HA3  GLY  24           2HA      GLY  24   0.579  15.585   4.320
  170    H    THR  25           H        THR  25   0.218  12.891   5.784
  171    HA   THR  25           HA       THR  25  -2.707  13.069   6.110
  172    HB   THR  25           HB       THR  25  -1.339  10.531   5.275
  173    HG1  THR  25           1HG      THR  25  -1.075  12.668   3.872
  174   HG21  THR  25          3HG2      THR  25  -3.871  11.134   4.040
  175   HG22  THR  25          1HG2      THR  25  -3.989  11.288   5.791
  176   HG23  THR  25          2HG2      THR  25  -3.431   9.777   5.075
  177    H    THR  26           H        THR  26  -3.558  12.230   7.965
  178    HA   THR  26           HA       THR  26  -1.678  11.350   9.989
  179    HB   THR  26           HB       THR  26  -4.434  11.114  10.815
  180    HG1  THR  26           1HG      THR  26  -3.666  13.452   9.398
  181   HG21  THR  26          3HG2      THR  26  -3.202  11.624  12.624
  182   HG22  THR  26          1HG2      THR  26  -3.372  13.298  12.093
  183   HG23  THR  26          2HG2      THR  26  -1.932  12.376  11.658
  184    H    CYS  27           H        CYS  27  -0.984   9.328   9.507
  185    HA   CYS  27           HA       CYS  27  -2.947   7.195   9.862
  186    HB2  CYS  27           2HB      CYS  27  -1.241   7.608   7.458
  187    HB3  CYS  27           1HB      CYS  27  -1.354   5.960   8.067
  188    H    ASN  28           H        ASN  28  -1.402   5.009   9.840
  189    HA   ASN  28           HA       ASN  28   0.646   5.632  11.868
  190    HB2  ASN  28           2HB      ASN  28  -1.717   4.416  12.431
  191    HB3  ASN  28           1HB      ASN  28  -0.715   3.016  12.072
  192   HD21  ASN  28          1HD2      ASN  28  -1.922   4.086  14.568
  193   HD22  ASN  28          2HD2      ASN  28  -0.616   4.172  15.700
  194    H    VAL  29           H        VAL  29   2.049   3.572  12.272
  195    HA   VAL  29           HA       VAL  29   3.564   3.241   9.933
  196    HB   VAL  29           HB       VAL  29   4.536   3.144  12.188
  197   HG11  VAL  29          1HG1      VAL  29   3.423   1.944  13.713
  198   HG12  VAL  29          2HG1      VAL  29   2.654   0.928  12.490
  199   HG13  VAL  29          3HG1      VAL  29   4.286   0.554  13.053
  200   HG21  VAL  29          3HG2      VAL  29   6.030   2.299  10.670
  201   HG22  VAL  29          1HG2      VAL  29   5.866   0.926  11.765
  202   HG23  VAL  29          2HG2      VAL  29   4.990   0.945  10.233
  203    H    GLY  30           H        GLY  30   1.376   0.977  11.600
  204    HA2  GLY  30           1HA      GLY  30   1.688  -0.899   9.359
  205    HA3  GLY  30           2HA      GLY  30   0.989  -1.278  10.930
  206    H    SER  31           H        SER  31   0.096   1.685   9.490
  207    HA   SER  31           HA       SER  31  -2.420   0.473   8.583
  208    HB2  SER  31           2HB      SER  31  -2.373   3.224   9.791
  209    HB3  SER  31           1HB      SER  31  -3.719   2.089   9.651
  210    HG   SER  31           HG       SER  31  -1.593   1.166  11.137
  211    H    ILE  32           H        ILE  32   0.258   2.265   7.689
  212    HA   ILE  32           HA       ILE  32  -1.109   3.926   5.770
  213    HB   ILE  32           HB       ILE  32   1.378   4.087   6.917
  214   HG12  ILE  32          2HG1      ILE  32   1.335   5.579   4.461
  215   HG13  ILE  32          1HG1      ILE  32  -0.259   5.576   5.203
  216   HG21  ILE  32          1HG2      ILE  32   2.339   2.371   5.483
  217   HG22  ILE  32          2HG2      ILE  32   1.829   3.269   4.053
  218   HG23  ILE  32          3HG2      ILE  32   3.041   3.951   5.137
  219   HD11  ILE  32          3HD1      ILE  32   2.178   6.221   6.809
  220   HD12  ILE  32          1HD1      ILE  32   1.388   7.445   5.814
  221   HD13  ILE  32          2HD1      ILE  32   0.494   6.652   7.112
  222    H    ALA  33           H        ALA  33  -1.639   3.395   3.723
  223    HA   ALA  33           HA       ALA  33  -0.625   0.920   2.582
  224    HB1  ALA  33           1HB      ALA  33  -3.188   1.169   3.936
  225    HB2  ALA  33           2HB      ALA  33  -3.336   0.556   2.289
  226    HB3  ALA  33           3HB      ALA  33  -2.297  -0.274   3.448
  227    H    CYS  34           H        CYS  34  -1.314   0.560   0.405
  228    HA   CYS  34           HA       CYS  34  -2.320   2.976  -0.944
  229    HB2  CYS  34           2HB      CYS  34  -0.251   0.957  -1.706
  230    HB3  CYS  34           1HB      CYS  34  -1.202   1.703  -2.983
  231    H    CYS  35           H        CYS  35  -4.018   2.760  -2.349
  232    HA   CYS  35           HA       CYS  35  -5.255   0.087  -2.474
  233    HB2  CYS  35           2HB      CYS  35  -6.234   2.118  -0.971
  234    HB3  CYS  35           1HB      CYS  35  -7.054   2.433  -2.496
  235    H    ASN  36           H        ASN  36  -6.758  -0.209  -4.264
  236    HA   ASN  36           HA       ASN  36  -6.531   1.681  -6.463
  237    HB2  ASN  36           2HB      ASN  36  -4.684  -0.184  -6.556
  238    HB3  ASN  36           1HB      ASN  36  -6.013  -1.210  -7.091
  239   HD21  ASN  36          1HD2      ASN  36  -4.082  -1.001  -8.830
  240   HD22  ASN  36          2HD2      ASN  36  -4.481   0.072 -10.130
  241    H    SER  37           H        SER  37  -8.073   1.200  -8.191
  242    HA   SER  37           HA       SER  37 -10.649   0.772  -7.314
  243    HB2  SER  37           2HB      SER  37 -10.082   0.007 -10.124
  244    HB3  SER  37           1HB      SER  37 -11.231   1.188  -9.481
  245    HG   SER  37           HG       SER  37  -8.871   1.667 -10.568
  246    HA   PRO  38           HA       PRO  38 -11.392  -3.382  -6.446
  247    HB2  PRO  38           2HB      PRO  38 -13.710  -3.397  -8.305
  248    HB3  PRO  38           1HB      PRO  38 -13.648  -3.768  -6.578
  249    HG2  PRO  38           2HG      PRO  38 -14.678  -1.467  -7.457
  250    HG3  PRO  38           1HG      PRO  38 -13.733  -1.543  -5.960
  251    HD2  PRO  38           2HD      PRO  38 -12.947  -0.513  -8.646
  252    HD3  PRO  38           1HD      PRO  38 -12.492   0.071  -7.032
  253    H    ALA  39           H        ALA  39 -12.005  -2.848  -9.916
  254    HA   ALA  39           HA       ALA  39 -11.599  -5.583 -10.569
  255    HB1  ALA  39           1HB      ALA  39 -11.239  -3.804 -12.810
  256    HB2  ALA  39           2HB      ALA  39 -12.509  -4.988 -12.500
  257    HB3  ALA  39           3HB      ALA  39 -12.645  -3.354 -11.845
  258    H    GLU  40           H        GLU  40  -9.384  -3.132  -9.881
  259    HA   GLU  40           HA       GLU  40  -7.282  -4.384 -11.512
  260    HB2  GLU  40           2HB      GLU  40  -6.643  -1.948  -9.949
  261    HB3  GLU  40           1HB      GLU  40  -6.181  -2.389 -11.587
  262    HG2  GLU  40           2HG      GLU  40  -9.008  -1.664 -11.004
  263    HG3  GLU  40           1HG      GLU  40  -7.794  -0.395 -11.152
  264    H    THR  41           H        THR  41  -8.013  -3.303  -8.223
  265    HA   THR  41           HA       THR  41  -5.744  -4.457  -7.007
  266    HB   THR  41           HB       THR  41  -8.125  -3.070  -6.174
  267    HG1  THR  41           1HG      THR  41  -6.470  -3.035  -4.208
  268   HG21  THR  41          3HG2      THR  41  -8.614  -4.065  -4.079
  269   HG22  THR  41          1HG2      THR  41  -7.308  -5.237  -4.246
  270   HG23  THR  41          2HG2      THR  41  -8.733  -5.345  -5.284
  271    H    ASN  42           H        ASN  42  -8.896  -5.712  -7.886
  272    HA   ASN  42           HA       ASN  42  -8.232  -8.343  -6.748
  273    HB2  ASN  42           2HB      ASN  42 -10.740  -6.871  -7.231
  274    HB3  ASN  42           1HB      ASN  42 -10.796  -8.576  -7.667
  275   HD21  ASN  42          1HD2      ASN  42  -9.436  -6.622  -5.031
  276   HD22  ASN  42          2HD2      ASN  42 -10.050  -7.614  -3.756
  277    H    ASN  43           H        ASN  43  -7.393  -6.934  -9.329
  278    HA   ASN  43           HA       ASN  43  -8.523  -7.921 -11.615
  279    HB2  ASN  43           2HB      ASN  43  -6.519  -6.316 -11.291
  280    HB3  ASN  43           1HB      ASN  43  -5.533  -7.775 -11.377
  281   HD21  ASN  43          1HD2      ASN  43  -8.172  -6.150 -13.096
  282   HD22  ASN  43          2HD2      ASN  43  -7.609  -6.550 -14.687
  283    H    ASP  44           H        ASP  44  -6.211  -9.601  -9.538
  284    HA   ASP  44           HA       ASP  44  -6.621 -12.003 -11.196
  285    HB2  ASP  44           2HB      ASP  44  -4.239 -11.092 -10.920
  286    HB3  ASP  44           1HB      ASP  44  -4.354 -11.617  -9.242
  287    H    SER  45           H        SER  45  -7.258 -13.896 -10.197
  288    HA   SER  45           HA       SER  45  -8.849 -13.683  -7.906
  289    HB2  SER  45           2HB      SER  45  -7.751 -16.348  -8.655
  290    HB3  SER  45           1HB      SER  45  -9.413 -15.866  -8.320
  291    HG   SER  45           HG       SER  45  -9.691 -15.310 -10.347
  292    H    LEU  46           H        LEU  46  -5.486 -14.671  -8.312
  293    HA   LEU  46           HA       LEU  46  -5.193 -15.540  -5.588
  294    HB2  LEU  46           2HB      LEU  46  -3.564 -16.579  -6.749
  295    HB3  LEU  46           1HB      LEU  46  -3.509 -15.340  -7.986
  296    HG   LEU  46           HG       LEU  46  -2.381 -14.307  -5.552
  297   HD11  LEU  46          1HD1      LEU  46  -1.657 -17.074  -6.280
  298   HD12  LEU  46          2HD1      LEU  46  -0.320 -15.973  -5.945
  299   HD13  LEU  46          3HD1      LEU  46  -1.565 -16.247  -4.724
  300   HD21  LEU  46          3HD2      LEU  46  -1.125 -13.297  -7.081
  301   HD22  LEU  46          1HD2      LEU  46  -0.492 -14.842  -7.647
  302   HD23  LEU  46          2HD2      LEU  46  -1.990 -14.203  -8.322
  303    H    LEU  47           H        LEU  47  -4.776 -12.571  -7.378
  304    HA   LEU  47           HA       LEU  47  -3.200 -11.137  -5.547
  305    HB2  LEU  47           2HB      LEU  47  -4.687 -10.588  -7.952
  306    HB3  LEU  47           1HB      LEU  47  -4.958  -9.312  -6.781
  307    HG   LEU  47           HG       LEU  47  -3.118  -8.770  -8.300
  308   HD11  LEU  47          1HD1      LEU  47  -1.617  -7.976  -6.687
  309   HD12  LEU  47          2HD1      LEU  47  -3.164  -8.085  -5.846
  310   HD13  LEU  47          3HD1      LEU  47  -1.937  -9.325  -5.598
  311   HD21  LEU  47          3HD2      LEU  47  -1.131 -10.034  -8.453
  312   HD22  LEU  47          1HD2      LEU  47  -1.579 -11.049  -7.084
  313   HD23  LEU  47          2HD2      LEU  47  -2.448 -11.196  -8.611
  314    H    SER  48           H        SER  48  -6.690 -11.577  -5.823
  315    HA   SER  48           HA       SER  48  -7.538  -9.733  -3.918
  316    HB2  SER  48           2HB      SER  48  -9.192 -12.061  -3.788
  317    HB3  SER  48           1HB      SER  48  -9.508 -10.530  -4.611
  318    HG   SER  48           HG       SER  48  -8.349 -12.901  -5.623
  319    H    GLY  49           H        GLY  49  -6.169 -12.940  -3.510
  320    HA2  GLY  49           1HA      GLY  49  -6.805 -13.023  -0.678
  321    HA3  GLY  49           2HA      GLY  49  -5.870 -14.213  -1.574
  322    H    LEU  50           H        LEU  50  -4.131 -12.147  -2.717
  323    HA   LEU  50           HA       LEU  50  -2.111 -12.200  -0.723
  324    HB2  LEU  50           2HB      LEU  50  -2.340 -11.538  -3.512
  325    HB3  LEU  50           1HB      LEU  50  -1.423 -10.294  -2.684
  326    HG   LEU  50           HG       LEU  50   0.152 -11.973  -1.861
  327   HD11  LEU  50          1HD1      LEU  50  -0.998 -13.957  -1.588
  328   HD12  LEU  50          2HD1      LEU  50  -1.765 -13.853  -3.173
  329   HD13  LEU  50          3HD1      LEU  50  -0.059 -14.274  -3.047
  330   HD21  LEU  50          3HD2      LEU  50  -0.388 -11.789  -4.799
  331   HD22  LEU  50          1HD2      LEU  50   0.881 -11.018  -3.849
  332   HD23  LEU  50          2HD2      LEU  50   0.962 -12.748  -4.188
  333    H    LEU  51           H        LEU  51  -4.604  -9.975  -1.498
  334    HA   LEU  51           HA       LEU  51  -3.405  -7.639  -0.380
  335    HB2  LEU  51           2HB      LEU  51  -6.267  -8.341  -1.000
  336    HB3  LEU  51           1HB      LEU  51  -5.771  -6.779  -0.376
  337    HG   LEU  51           HG       LEU  51  -4.324  -7.646  -2.781
  338   HD11  LEU  51          1HD1      LEU  51  -6.074  -7.368  -4.323
  339   HD12  LEU  51          2HD1      LEU  51  -6.707  -8.468  -3.098
  340   HD13  LEU  51          3HD1      LEU  51  -7.177  -6.769  -3.085
  341   HD21  LEU  51          3HD2      LEU  51  -4.850  -5.295  -1.364
  342   HD22  LEU  51          1HD2      LEU  51  -3.972  -5.456  -2.885
  343   HD23  LEU  51          2HD2      LEU  51  -5.705  -5.127  -2.897
  344    H    GLY  52           H        GLY  52  -4.713 -10.428   1.018
  345    HA2  GLY  52           1HA      GLY  52  -5.076  -8.999   3.572
  346    HA3  GLY  52           2HA      GLY  52  -6.173 -10.278   3.065
  347    H    ALA  53           H        ALA  53  -2.793  -9.600   3.882
  348    HA   ALA  53           HA       ALA  53  -2.190 -12.432   4.037
  349    HB1  ALA  53           1HB      ALA  53  -0.287 -11.457   3.308
  350    HB2  ALA  53           2HB      ALA  53  -0.641  -9.922   4.099
  351    HB3  ALA  53           3HB      ALA  53   0.018 -11.263   5.034
  352    H    GLY  54           H        GLY  54  -3.251  -9.934   6.133
  353    HA2  GLY  54           1HA      GLY  54  -3.024 -11.795   8.399
  354    HA3  GLY  54           2HA      GLY  54  -2.451 -10.144   8.589
  355    H    LEU  55           H        LEU  55  -5.330 -11.932   7.506
  356    HA   LEU  55           HA       LEU  55  -7.554 -11.590   7.791
  357    HB2  LEU  55           2HB      LEU  55  -6.286 -11.294  10.331
  358    HB3  LEU  55           1HB      LEU  55  -7.652 -10.199  10.251
  359    HG   LEU  55           HG       LEU  55  -7.768 -13.180   9.784
  360   HD11  LEU  55          1HD1      LEU  55  -9.333 -12.257  11.979
  361   HD12  LEU  55          2HD1      LEU  55  -7.995 -13.406  11.977
  362   HD13  LEU  55          3HD1      LEU  55  -7.677 -11.682  12.176
  363   HD21  LEU  55          3HD2      LEU  55  -9.702 -10.982   9.404
  364   HD22  LEU  55          1HD2      LEU  55  -9.577 -12.539   8.590
  365   HD23  LEU  55          2HD2      LEU  55 -10.308 -12.438  10.193
  366    H    LEU  56           H        LEU  56  -6.503  -9.730   6.173
  367    HA   LEU  56           HA       LEU  56  -7.202  -7.084   7.083
  368    HB2  LEU  56           2HB      LEU  56  -5.593  -8.221   4.992
  369    HB3  LEU  56           1HB      LEU  56  -6.706  -7.043   4.318
  370    HG   LEU  56           HG       LEU  56  -5.694  -5.741   6.533
  371   HD11  LEU  56          1HD1      LEU  56  -3.336  -6.002   6.521
  372   HD12  LEU  56          2HD1      LEU  56  -4.044  -7.604   6.724
  373   HD13  LEU  56          3HD1      LEU  56  -3.403  -7.116   5.155
  374   HD21  LEU  56          3HD2      LEU  56  -5.976  -5.275   3.879
  375   HD22  LEU  56          1HD2      LEU  56  -5.143  -4.198   4.998
  376   HD23  LEU  56          2HD2      LEU  56  -4.218  -5.341   4.024
  377    H    ASN  57           H        ASN  57  -8.598  -5.689   5.821
  378    HA   ASN  57           HA       ASN  57 -10.804  -7.106   4.508
  379    HB2  ASN  57           2HB      ASN  57 -11.210  -6.201   6.901
  380    HB3  ASN  57           1HB      ASN  57 -11.204  -4.612   6.144
  381   HD21  ASN  57          1HD2      ASN  57 -13.402  -4.739   7.154
  382   HD22  ASN  57          2HD2      ASN  57 -14.675  -5.357   6.175
  383    H    GLY  58           H        GLY  58 -12.257  -5.100   3.542
  384    HA2  GLY  58           1HA      GLY  58 -10.381  -3.902   1.611
  385    HA3  GLY  58           2HA      GLY  58 -12.089  -4.214   1.315
  386    H    LEU  59           H        LEU  59 -12.387  -2.053   0.624
  387    HA   LEU  59           HA       LEU  59 -11.762   0.174   2.274
  388    HB2  LEU  59           2HB      LEU  59 -12.664  -0.231  -0.338
  389    HB3  LEU  59           1HB      LEU  59 -13.964   0.641   0.449
  390    HG   LEU  59           HG       LEU  59 -12.101   1.957  -0.789
  391   HD11  LEU  59          1HD1      LEU  59 -12.750   2.845   2.003
  392   HD12  LEU  59          2HD1      LEU  59 -12.488   3.838   0.568
  393   HD13  LEU  59          3HD1      LEU  59 -13.938   2.842   0.699
  394   HD21  LEU  59          3HD2      LEU  59 -10.360   0.638   0.656
  395   HD22  LEU  59          1HD2      LEU  59 -10.097   2.334   0.254
  396   HD23  LEU  59          2HD2      LEU  59 -10.711   1.894   1.845
  397    H    SER  60           H        SER  60 -13.056   1.409   3.570
  398    HA   SER  60           HA       SER  60 -14.988   0.177   5.145
  399    HB2  SER  60           2HB      SER  60 -14.397   3.106   4.685
  400    HB3  SER  60           1HB      SER  60 -15.444   2.503   5.968
  401    HG   SER  60           HG       SER  60 -13.348   2.803   6.749
  402    H    GLY  61           H        GLY  61 -16.704  -0.710   4.074
  403    HA2  GLY  61           1HA      GLY  61 -19.002  -0.480   3.591
  404    HA3  GLY  61           2HA      GLY  61 -18.720   1.202   3.168
  405    H    ASN  62           H        ASN  62 -16.366  -0.678   1.753
  406    HA   ASN  62           HA       ASN  62 -17.928  -0.948  -0.725
  407    HB2  ASN  62           2HB      ASN  62 -16.686   1.060  -1.001
  408    HB3  ASN  62           1HB      ASN  62 -15.226   0.331  -0.353
  409   HD21  ASN  62          1HD2      ASN  62 -14.131   1.033  -2.188
  410   HD22  ASN  62          2HD2      ASN  62 -14.253   0.199  -3.698
  411    H    THR  63           H        THR  63 -18.104  -3.096  -0.814
  412    HA   THR  63           HA       THR  63 -15.916  -4.851  -0.154
  413    HB   THR  63           HB       THR  63 -18.175  -6.064  -1.560
  414    HG1  THR  63           1HG      THR  63 -18.936  -5.065   0.932
  415   HG21  THR  63          3HG2      THR  63 -16.381  -6.636   0.587
  416   HG22  THR  63          1HG2      THR  63 -17.511  -7.720  -0.228
  417   HG23  THR  63          2HG2      THR  63 -18.036  -6.796   1.182
  418    H    GLY  64           H        GLY  64 -14.529  -3.791  -1.852
  419    HA2  GLY  64           1HA      GLY  64 -14.375  -5.558  -4.106
  420    HA3  GLY  64           2HA      GLY  64 -14.851  -3.929  -4.566
  421    H    SER  65           H        SER  65 -13.407  -2.213  -3.373
  422    HA   SER  65           HA       SER  65 -10.720  -2.747  -4.239
  423    HB2  SER  65           2HB      SER  65 -11.283  -0.255  -2.746
  424    HB3  SER  65           1HB      SER  65 -10.473  -0.485  -4.297
  425    HG   SER  65           HG       SER  65 -12.403   0.501  -4.731
  426    H    ALA  66           H        ALA  66  -9.401  -3.855  -2.995
  427    HA   ALA  66           HA       ALA  66  -9.333  -3.328  -0.107
  428    HB1  ALA  66           1HB      ALA  66  -9.578  -5.645  -0.419
  429    HB2  ALA  66           2HB      ALA  66  -8.440  -5.670  -1.767
  430    HB3  ALA  66           3HB      ALA  66  -7.853  -5.422  -0.122
  431    H    CYS  67           H        CYS  67  -7.200  -3.029   0.867
  432    HA   CYS  67           HA       CYS  67  -5.283  -1.933  -1.081
  433    HB2  CYS  67           2HB      CYS  67  -5.455  -0.608   1.561
  434    HB3  CYS  67           1HB      CYS  67  -5.148   0.083  -0.028
  435    H    ALA  68           H        ALA  68  -3.137  -2.262  -0.644
  436    HA   ALA  68           HA       ALA  68  -2.589  -4.037   1.623
  437    HB1  ALA  68           1HB      ALA  68  -0.368  -4.308   0.169
  438    HB2  ALA  68           2HB      ALA  68  -1.813  -5.283  -0.105
  439    HB3  ALA  68           3HB      ALA  68  -1.495  -3.876  -1.116
  440    H    LYS  69           H        LYS  69  -1.319  -3.407   3.190
  441    HA   LYS  69           HA       LYS  69  -0.498  -0.664   3.306
  442    HB2  LYS  69           2HB      LYS  69   0.408  -1.459   5.590
  443    HB3  LYS  69           1HB      LYS  69  -1.332  -1.469   5.332
  444    HG2  LYS  69           2HG      LYS  69   0.111  -3.956   4.668
  445    HG3  LYS  69           1HG      LYS  69   0.018  -3.524   6.376
  446    HD2  LYS  69           2HD      LYS  69  -2.303  -3.884   4.472
  447    HD3  LYS  69           1HD      LYS  69  -1.844  -4.945   5.808
  448    HE2  LYS  69           2HE      LYS  69  -2.854  -2.122   6.003
  449    HE3  LYS  69           1HE      LYS  69  -3.700  -3.591   6.483
  450    HZ1  LYS  69           3HZ      LYS  69  -2.087  -2.014   8.059
  451    HZ2  LYS  69           1HZ      LYS  69  -1.177  -3.421   7.771
  452    HZ3  LYS  69           2HZ      LYS  69  -2.726  -3.530   8.446
  453    H    ALA  70           H        ALA  70   1.733  -0.157   4.228
  454    HA   ALA  70           HA       ALA  70   3.710  -0.904   2.390
  455    HB1  ALA  70           1HB      ALA  70   3.862   1.174   3.568
  456    HB2  ALA  70           2HB      ALA  70   3.968   0.342   5.120
  457    HB3  ALA  70           3HB      ALA  70   5.284   0.203   3.954
  458    H    SER  71           H        SER  71   2.728  -2.355   5.394
  459    HA   SER  71           HA       SER  71   5.083  -3.915   5.804
  460    HB2  SER  71           2HB      SER  71   2.930  -5.175   7.077
  461    HB3  SER  71           1HB      SER  71   4.048  -4.020   7.804
  462    HG   SER  71           HG       SER  71   1.573  -3.635   7.722
  463    H    LEU  72           H        LEU  72   2.091  -4.199   4.094
  464    HA   LEU  72           HA       LEU  72   2.388  -6.994   3.497
  465    HB2  LEU  72           2HB      LEU  72   0.279  -5.258   3.586
  466    HB3  LEU  72           1HB      LEU  72   0.555  -5.394   1.857
  467    HG   LEU  72           HG       LEU  72   0.284  -7.806   3.611
  468   HD11  LEU  72          1HD1      LEU  72  -2.090  -7.800   2.518
  469   HD12  LEU  72          2HD1      LEU  72  -1.789  -6.897   4.004
  470   HD13  LEU  72          3HD1      LEU  72  -1.832  -6.058   2.454
  471   HD21  LEU  72          3HD2      LEU  72  -0.595  -7.851   0.834
  472   HD22  LEU  72          1HD2      LEU  72   1.123  -7.515   1.053
  473   HD23  LEU  72          2HD2      LEU  72   0.420  -8.983   1.729
  474    H    ILE  73           H        ILE  73   3.213  -3.934   2.065
  475    HA   ILE  73           HA       ILE  73   3.712  -4.843  -0.547
  476    HB   ILE  73           HB       ILE  73   5.023  -2.563   0.951
  477   HG12  ILE  73          2HG1      ILE  73   2.690  -2.124   0.802
  478   HG13  ILE  73          1HG1      ILE  73   3.441  -1.190  -0.487
  479   HG21  ILE  73          1HG2      ILE  73   6.481  -2.689  -0.775
  480   HG22  ILE  73          2HG2      ILE  73   5.352  -3.569  -1.805
  481   HG23  ILE  73          3HG2      ILE  73   5.201  -1.822  -1.622
  482   HD11  ILE  73          3HD1      ILE  73   1.835  -2.071  -1.763
  483   HD12  ILE  73          1HD1      ILE  73   2.849  -3.515  -1.768
  484   HD13  ILE  73          2HD1      ILE  73   1.512  -3.380  -0.626
  485    H    ASP  74           H        ASP  74   5.756  -4.613   2.332
  486    HA   ASP  74           HA       ASP  74   8.091  -5.692   1.120
  487    HB2  ASP  74           2HB      ASP  74   8.854  -4.768   3.029
  488    HB3  ASP  74           1HB      ASP  74   7.256  -4.791   3.759
  489    H    GLN  75           H        GLN  75   5.177  -7.075   2.225
  490    HA   GLN  75           HA       GLN  75   6.145  -9.623   3.006
  491    HB2  GLN  75           2HB      GLN  75   3.683  -8.271   3.039
  492    HB3  GLN  75           1HB      GLN  75   3.425  -9.687   2.030
  493    HG2  GLN  75           2HG      GLN  75   2.948  -9.879   4.529
  494    HG3  GLN  75           1HG      GLN  75   3.888 -11.160   3.766
  495   HE21  GLN  75          1HE2      GLN  75   4.689  -7.938   4.980
  496   HE22  GLN  75          2HE2      GLN  75   5.969  -8.462   6.006
  497    H    LEU  76           H        LEU  76   4.534  -8.484   0.007
  498    HA   LEU  76           HA       LEU  76   5.627 -10.863  -1.318
  499    HB2  LEU  76           2HB      LEU  76   2.771  -9.994  -1.655
  500    HB3  LEU  76           1HB      LEU  76   3.526 -11.443  -2.288
  501    HG   LEU  76           HG       LEU  76   3.819 -11.434   0.552
  502   HD11  LEU  76          1HD1      LEU  76   1.079 -11.791   0.536
  503   HD12  LEU  76          2HD1      LEU  76   1.964 -10.447   1.263
  504   HD13  LEU  76          3HD1      LEU  76   1.327 -10.303  -0.375
  505   HD21  LEU  76          3HD2      LEU  76   2.504 -13.518   0.336
  506   HD22  LEU  76          1HD2      LEU  76   2.244 -13.131  -1.365
  507   HD23  LEU  76          2HD2      LEU  76   3.879 -13.429  -0.765
  508    H    GLY  77           H        GLY  77   5.231  -7.547  -1.443
  509    HA2  GLY  77           1HA      GLY  77   5.821  -6.067  -3.121
  510    HA3  GLY  77           2HA      GLY  77   6.195  -7.450  -4.140
  511    H    LEU  78           H        LEU  78   3.227  -6.238  -2.598
  512    HA   LEU  78           HA       LEU  78   1.498  -7.122  -4.625
  513    HB2  LEU  78           2HB      LEU  78   1.306  -5.379  -2.243
  514    HB3  LEU  78           1HB      LEU  78   0.072  -5.143  -3.463
  515    HG   LEU  78           HG       LEU  78  -0.194  -6.860  -1.429
  516   HD11  LEU  78          1HD1      LEU  78  -1.235  -7.118  -4.236
  517   HD12  LEU  78          2HD1      LEU  78  -1.839  -8.076  -2.879
  518   HD13  LEU  78          3HD1      LEU  78  -1.996  -6.319  -2.857
  519   HD21  LEU  78          3HD2      LEU  78   1.098  -8.457  -3.636
  520   HD22  LEU  78          1HD2      LEU  78   1.608  -8.328  -1.950
  521   HD23  LEU  78          2HD2      LEU  78   0.113  -9.169  -2.357
  522    H    LEU  79           H        LEU  79   2.408  -6.380  -6.600
  523    HA   LEU  79           HA       LEU  79   2.941  -3.639  -7.132
  524    HB2  LEU  79           2HB      LEU  79   2.792  -4.681  -9.597
  525    HB3  LEU  79           1HB      LEU  79   4.190  -4.864  -8.557
  526    HG   LEU  79           HG       LEU  79   2.972  -7.063  -7.791
  527   HD11  LEU  79          1HD1      LEU  79   1.365  -6.164 -10.044
  528   HD12  LEU  79          2HD1      LEU  79   1.985  -7.803 -10.246
  529   HD13  LEU  79          3HD1      LEU  79   1.024  -7.392  -8.825
  530   HD21  LEU  79          3HD2      LEU  79   4.119  -7.156 -10.546
  531   HD22  LEU  79          1HD2      LEU  79   5.125  -6.658  -9.189
  532   HD23  LEU  79          2HD2      LEU  79   4.374  -8.253  -9.188
  533    H    ALA  80           H        ALA  80   0.029  -4.880  -6.589
  534    HA   ALA  80           HA       ALA  80  -1.392  -4.031  -8.937
  535    HB1  ALA  80           1HB      ALA  80  -2.335  -5.891  -7.871
  536    HB2  ALA  80           2HB      ALA  80  -2.256  -5.130  -6.283
  537    HB3  ALA  80           3HB      ALA  80  -3.418  -4.555  -7.477
  538    H    LEU  81           H        LEU  81  -0.407  -2.554  -5.978
  539    HA   LEU  81           HA       LEU  81  -2.212  -0.294  -6.538
  540    HB2  LEU  81           2HB      LEU  81  -1.625  -0.129  -3.846
  541    HB3  LEU  81           1HB      LEU  81  -3.145  -0.621  -4.565
  542    HG   LEU  81           HG       LEU  81  -1.516  -2.910  -4.566
  543   HD11  LEU  81          1HD1      LEU  81  -0.816  -1.138  -2.407
  544   HD12  LEU  81          2HD1      LEU  81  -1.537  -2.628  -1.790
  545   HD13  LEU  81          3HD1      LEU  81  -0.128  -2.701  -2.851
  546   HD21  LEU  81          3HD2      LEU  81  -3.569  -2.466  -2.477
  547   HD22  LEU  81          1HD2      LEU  81  -4.055  -2.326  -4.168
  548   HD23  LEU  81          2HD2      LEU  81  -3.339  -3.827  -3.577
  549    H    VAL  82           H        VAL  82   0.985  -1.201  -6.434
  550    HA   VAL  82           HA       VAL  82   1.782   1.505  -5.604
  551    HB   VAL  82           HB       VAL  82   4.042  -0.275  -5.605
  552   HG11  VAL  82          1HG1      VAL  82   4.617   1.115  -3.967
  553   HG12  VAL  82          2HG1      VAL  82   3.074   1.935  -4.206
  554   HG13  VAL  82          3HG1      VAL  82   3.213   0.648  -3.006
  555   HG21  VAL  82          3HG2      VAL  82   2.118  -1.053  -3.469
  556   HG22  VAL  82          1HG2      VAL  82   2.013  -1.839  -5.042
  557   HG23  VAL  82          2HG2      VAL  82   3.507  -1.931  -4.109
  558    H    ASP  83           H        ASP  83   3.008   2.698  -6.850
  559    HA   ASP  83           HA       ASP  83   3.901   1.536  -9.401
  560    HB2  ASP  83           2HB      ASP  83   2.124   3.371  -9.455
  561    HB3  ASP  83           1HB      ASP  83   3.376   4.474  -8.896
  562    H    HIS  84           H        HIS  84   6.001   2.355 -10.201
  563    HA   HIS  84           HA       HIS  84   7.690   3.045  -7.895
  564    HB2  HIS  84           2HB      HIS  84   7.835   0.801  -9.691
  565    HB3  HIS  84           1HB      HIS  84   9.328   1.737  -9.743
  566    HD1  HIS  84           1HD      HIS  84  10.443   2.191  -7.320
  567    HD2  HIS  84           2HD      HIS  84   7.606  -0.833  -7.530
  568    HE1  HIS  84           1HE      HIS  84  10.732   0.855  -5.218
  569    HE2  HIS  84           2HE      HIS  84   9.160  -1.106  -5.478
  570    H    THR  85           H        THR  85   8.079   5.129  -8.139
  571    HA   THR  85           HA       THR  85   9.170   6.055 -10.705
  572    HB   THR  85           HB       THR  85   8.840   8.333  -9.824
  573    HG1  THR  85           1HG      THR  85   8.427   8.651  -7.780
  574   HG21  THR  85          3HG2      THR  85   6.983   6.884 -10.951
  575   HG22  THR  85          1HG2      THR  85   6.560   8.432 -10.215
  576   HG23  THR  85          2HG2      THR  85   6.242   6.929  -9.352
  577    H    GLU  86           H        GLU  86  10.727   8.149  -9.846
  578    HA   GLU  86           HA       GLU  86  13.114   6.859  -9.051
  579    HB2  GLU  86           2HB      GLU  86  13.261   9.689  -8.561
  580    HB3  GLU  86           1HB      GLU  86  14.050   8.741  -9.812
  581    HG2  GLU  86           2HG      GLU  86  11.204   9.659 -10.072
  582    HG3  GLU  86           1HG      GLU  86  12.567  10.669 -10.552
  583    H    GLU  87           H        GLU  87  10.575   8.409  -7.274
  584    HA   GLU  87           HA       GLU  87  12.032   8.864  -4.867
  585    HB2  GLU  87           2HB      GLU  87   9.055   8.548  -5.298
  586    HB3  GLU  87           1HB      GLU  87   9.811   9.163  -3.835
  587    HG2  GLU  87           2HG      GLU  87   9.543  11.177  -4.725
  588    HG3  GLU  87           1HG      GLU  87  10.877  10.754  -5.799
  589    H    GLY  88           H        GLY  88  10.296   6.136  -6.180
  590    HA2  GLY  88           1HA      GLY  88  11.232   3.988  -5.202
  591    HA3  GLY  88           2HA      GLY  88  10.773   4.689  -3.657
  592    HA   PRO  89           HA       PRO  89   7.044   2.310  -4.838
  593    HB2  PRO  89           2HB      PRO  89   6.750   1.916  -1.967
  594    HB3  PRO  89           1HB      PRO  89   6.956   0.706  -3.236
  595    HG2  PRO  89           2HG      PRO  89   8.867   1.233  -1.388
  596    HG3  PRO  89           1HG      PRO  89   9.241   0.692  -3.034
  597    HD2  PRO  89           2HD      PRO  89   9.307   3.463  -1.887
  598    HD3  PRO  89           1HD      PRO  89  10.474   2.668  -2.968
  599    H    VAL  90           H        VAL  90   5.608   3.852  -5.362
  600    HA   VAL  90           HA       VAL  90   4.522   5.523  -3.192
  601    HB   VAL  90           HB       VAL  90   3.913   7.092  -5.197
  602   HG11  VAL  90          1HG1      VAL  90   5.493   7.491  -3.255
  603   HG12  VAL  90          2HG1      VAL  90   6.794   7.005  -4.339
  604   HG13  VAL  90          3HG1      VAL  90   5.807   8.417  -4.721
  605   HG21  VAL  90          3HG2      VAL  90   6.197   5.466  -6.304
  606   HG22  VAL  90          1HG2      VAL  90   4.617   5.755  -7.032
  607   HG23  VAL  90          2HG2      VAL  90   5.782   7.072  -6.899
  608    H    CYS  91           H        CYS  91   2.238   6.230  -3.626
  609    HA   CYS  91           HA       CYS  91   0.658   3.937  -4.143
  610    HB2  CYS  91           2HB      CYS  91   0.232   6.660  -3.192
  611    HB3  CYS  91           1HB      CYS  91  -1.089   6.094  -4.206
  612    H    LYS  92           H        LYS  92  -0.089   3.181  -5.977
  613    HA   LYS  92           HA       LYS  92   0.438   4.437  -8.481
  614    HB2  LYS  92           2HB      LYS  92  -0.011   1.886  -7.676
  615    HB3  LYS  92           1HB      LYS  92  -1.576   2.281  -8.365
  616    HG2  LYS  92           2HG      LYS  92  -0.751   2.462 -10.495
  617    HG3  LYS  92           1HG      LYS  92   0.875   2.874  -9.941
  618    HD2  LYS  92           2HD      LYS  92   1.152   0.570  -9.122
  619    HD3  LYS  92           1HD      LYS  92  -0.441   0.170  -9.759
  620    HE2  LYS  92           2HE      LYS  92   0.672  -0.453 -11.604
  621    HE3  LYS  92           1HE      LYS  92   0.783   1.275 -11.940
  622    HZ1  LYS  92           3HZ      LYS  92   2.820   0.024 -10.234
  623    HZ2  LYS  92           1HZ      LYS  92   2.956   1.368 -11.266
  624    HZ3  LYS  92           2HZ      LYS  92   2.910  -0.200 -11.913
  625    H    ASN  93           H        ASN  93  -2.159   4.533  -6.268
  626    HA   ASN  93           HA       ASN  93  -3.741   6.192  -8.023
  627    HB2  ASN  93           2HB      ASN  93  -4.342   3.378  -7.669
  628    HB3  ASN  93           1HB      ASN  93  -5.668   4.381  -7.089
  629   HD21  ASN  93          1HD2      ASN  93  -3.583   3.760  -9.838
  630   HD22  ASN  93          2HD2      ASN  93  -4.699   4.273 -11.045
  631    H    ILE  94           H        ILE  94  -5.144   4.318  -5.425
  632    HA   ILE  94           HA       ILE  94  -5.797   6.833  -4.101
  633    HB   ILE  94           HB       ILE  94  -6.875   4.292  -3.033
  634   HG12  ILE  94          2HG1      ILE  94  -8.009   5.362  -5.612
  635   HG13  ILE  94          1HG1      ILE  94  -6.821   4.063  -5.588
  636   HG21  ILE  94          1HG2      ILE  94  -8.368   5.678  -2.170
  637   HG22  ILE  94          2HG2      ILE  94  -7.478   7.021  -2.889
  638   HG23  ILE  94          3HG2      ILE  94  -8.807   6.271  -3.771
  639   HD11  ILE  94          3HD1      ILE  94  -9.513   3.718  -5.512
  640   HD12  ILE  94          1HD1      ILE  94  -8.328   2.540  -4.945
  641   HD13  ILE  94          2HD1      ILE  94  -9.096   3.638  -3.800
  642    H    VAL  95           H        VAL  95  -5.073   7.411  -2.124
  643    HA   VAL  95           HA       VAL  95  -3.353   5.529  -0.685
  644    HB   VAL  95           HB       VAL  95  -2.194   7.534  -0.795
  645   HG11  VAL  95          1HG1      VAL  95  -4.327   9.364   0.114
  646   HG12  VAL  95          2HG1      VAL  95  -3.034   9.615  -1.062
  647   HG13  VAL  95          3HG1      VAL  95  -4.483   8.714  -1.518
  648   HG21  VAL  95          3HG2      VAL  95  -2.878   6.690   1.653
  649   HG22  VAL  95          1HG2      VAL  95  -1.809   8.065   1.373
  650   HG23  VAL  95          2HG2      VAL  95  -3.514   8.334   1.728
  651    H    ALA  96           H        ALA  96  -3.979   4.586   1.195
  652    HA   ALA  96           HA       ALA  96  -6.440   5.520   2.485
  653    HB1  ALA  96           1HB      ALA  96  -6.356   3.327   0.711
  654    HB2  ALA  96           2HB      ALA  96  -6.545   2.673   2.338
  655    HB3  ALA  96           3HB      ALA  96  -7.699   3.858   1.724
  656    H    CYS  97           H        CYS  97  -6.841   4.413   4.563
  657    HA   CYS  97           HA       CYS  97  -4.308   3.616   5.837
  658    HB2  CYS  97           2HB      CYS  97  -6.078   5.614   6.572
  659    HB3  CYS  97           1HB      CYS  97  -6.497   4.286   7.645
  660    H    CYS  98           H        CYS  98  -4.163   1.501   5.971
  661    HA   CYS  98           HA       CYS  98  -6.574  -0.089   6.585
  662    HB2  CYS  98           2HB      CYS  98  -4.025  -0.799   5.130
  663    HB3  CYS  98           1HB      CYS  98  -5.149  -2.016   5.723
  664    HA   PRO  99           HA       PRO  99  -4.314  -0.775  10.433
  665    HB2  PRO  99           2HB      PRO  99  -6.324  -1.980  11.765
  666    HB3  PRO  99           1HB      PRO  99  -6.293  -0.233  11.496
  667    HG2  PRO  99           2HG      PRO  99  -7.817  -2.346  10.020
  668    HG3  PRO  99           1HG      PRO  99  -8.359  -0.747  10.563
  669    HD2  PRO  99           2HD      PRO  99  -7.575  -1.286   7.999
  670    HD3  PRO  99           1HD      PRO  99  -7.433   0.317   8.750
  671    H    GLU 100           H        GLU 100  -2.957  -2.481  10.856
  672    HA   GLU 100           HA       GLU 100  -3.447  -5.005   9.537
  673    HB2  GLU 100           2HB      GLU 100  -1.147  -3.781  10.201
  674    HB3  GLU 100           1HB      GLU 100  -1.324  -4.824  11.604
  675    HG2  GLU 100           2HG      GLU 100  -0.416  -6.464  10.425
  676    HG3  GLU 100           1HG      GLU 100  -1.857  -6.464   9.406
  677    H    GLY 101           H        GLY 101  -4.640  -6.588  10.322
  678    HA2  GLY 101           1HA      GLY 101  -4.707  -8.043  12.447
  679    HA3  GLY 101           2HA      GLY 101  -5.287  -6.557  13.191
  680    H    THR 102           H        THR 102  -7.038  -5.535  11.448
  681    HA   THR 102           HA       THR 102  -8.763  -7.211  10.084
  682    HB   THR 102           HB       THR 102  -9.038  -8.212  12.411
  683    HG1  THR 102           1HG      THR 102 -10.919  -8.843  11.686
  684   HG21  THR 102          3HG2      THR 102  -9.113  -5.997  13.587
  685   HG22  THR 102          1HG2      THR 102 -10.418  -7.106  14.010
  686   HG23  THR 102          2HG2      THR 102 -10.724  -5.764  12.906
  687    H    THR 103           H        THR 103 -11.089  -6.202  10.081
  688    HA   THR 103           HA       THR 103 -12.498  -4.471   9.739
  689    HB   THR 103           HB       THR 103 -10.630  -2.393  10.814
  690    HG1  THR 103           1HG      THR 103 -10.450  -4.051  12.343
  691   HG21  THR 103          3HG2      THR 103 -13.502  -2.743  11.551
  692   HG22  THR 103          1HG2      THR 103 -13.092  -2.129   9.946
  693   HG23  THR 103          2HG2      THR 103 -12.556  -1.262  11.388
  694    H    ASN 104           H        ASN 104 -12.820  -2.594   8.449
  695    HA   ASN 104           HA       ASN 104 -11.407  -2.903   5.986
  696    HB2  ASN 104           2HB      ASN 104 -13.067  -0.831   5.504
  697    HB3  ASN 104           1HB      ASN 104 -13.586  -2.512   5.474
  698   HD21  ASN 104          1HD2      ASN 104 -13.819   0.517   7.052
  699   HD22  ASN 104          2HD2      ASN 104 -14.989   0.055   8.244
  700    H    CYS 105           H        CYS 105 -11.023  -0.777   4.698
  701    HA   CYS 105           HA       CYS 105  -9.235   0.892   6.342
  702    HB2  CYS 105           2HB      CYS 105  -9.094   0.512   3.355
  703    HB3  CYS 105           1HB      CYS 105  -7.853   1.151   4.424
  704    H    VAL 106           H        VAL 106  -9.387   3.076   6.223
  705    HA   VAL 106           HA       VAL 106 -11.618   4.199   4.735
  706    HB   VAL 106           HB       VAL 106 -11.438   6.131   6.061
  707   HG11  VAL 106          1HG1      VAL 106 -11.855   3.776   7.234
  708   HG12  VAL 106          2HG1      VAL 106 -10.446   4.297   8.158
  709   HG13  VAL 106          3HG1      VAL 106 -11.895   5.302   8.122
  710   HG21  VAL 106          3HG2      VAL 106  -9.569   6.977   7.101
  711   HG22  VAL 106          1HG2      VAL 106  -8.837   5.390   7.324
  712   HG23  VAL 106          2HG2      VAL 106  -8.828   6.147   5.733
  713    H    ALA 107           H        ALA 107 -11.393   5.603   3.033
  714    HA   ALA 107           HA       ALA 107  -8.709   5.764   1.873
  715    HB1  ALA 107           1HB      ALA 107 -10.018   4.973   0.179
  716    HB2  ALA 107           2HB      ALA 107 -11.462   5.806   0.754
  717    HB3  ALA 107           3HB      ALA 107 -10.212   6.703  -0.105
  718    H    VAL 108           H        VAL 108  -7.620   7.628   1.775
  719    HA   VAL 108           HA       VAL 108  -8.925   9.984   2.897
  720    HB   VAL 108           HB       VAL 108  -6.100  10.321   2.271
  721   HG11  VAL 108          1HG1      VAL 108  -8.037  11.060   4.262
  722   HG12  VAL 108          2HG1      VAL 108  -6.581  10.438   5.036
  723   HG13  VAL 108          3HG1      VAL 108  -6.470  11.787   3.905
  724   HG21  VAL 108          3HG2      VAL 108  -6.275   8.539   4.562
  725   HG22  VAL 108          1HG2      VAL 108  -6.733   7.748   3.053
  726   HG23  VAL 108          2HG2      VAL 108  -5.152   8.522   3.198
  727    H    ASP 109           H        ASP 109  -8.706   8.755   0.020
  728    HA   ASP 109           HA       ASP 109  -8.689  11.397  -1.261
  729    HB2  ASP 109           2HB      ASP 109  -6.899  10.309  -2.340
  730    HB3  ASP 109           1HB      ASP 109  -7.716   8.749  -2.314
  731    H    ASN 110           H        ASN 110 -10.402  11.834  -2.595
  732    HA   ASN 110           HA       ASN 110 -12.487   9.811  -2.875
  733    HB2  ASN 110           2HB      ASN 110 -12.583  12.074  -1.044
  734    HB3  ASN 110           1HB      ASN 110 -13.895  12.137  -2.216
  735   HD21  ASN 110          1HD2      ASN 110 -12.238   9.615  -0.306
  736   HD22  ASN 110          2HD2      ASN 110 -13.701   8.883   0.267
  737    H    ALA 111           H        ALA 111 -10.516  11.392  -4.535
  738    HA   ALA 111           HA       ALA 111 -12.473  12.434  -6.467
  739    HB1  ALA 111           1HB      ALA 111 -11.746  14.451  -5.596
  740    HB2  ALA 111           2HB      ALA 111 -10.105  13.861  -5.332
  741    HB3  ALA 111           3HB      ALA 111 -10.658  14.223  -6.968
  742    H    GLY 112           H        GLY 112  -9.242  11.182  -5.829
  743    HA2  GLY 112           1HA      GLY 112  -7.998   9.751  -7.184
  744    HA3  GLY 112           2HA      GLY 112  -9.163   9.997  -8.484
  745    H    ALA 113           H        ALA 113  -7.008  12.086  -6.576
  746    HA   ALA 113           HA       ALA 113  -6.153  13.331  -9.105
  747    HB1  ALA 113           1HB      ALA 113  -5.673  15.350  -7.794
  748    HB2  ALA 113           2HB      ALA 113  -7.365  14.872  -7.655
  749    HB3  ALA 113           3HB      ALA 113  -6.243  14.534  -6.337
  750    H    GLY 114           H        GLY 114  -3.913  14.531  -8.631
  751    HA2  GLY 114           1HA      GLY 114  -2.046  12.394  -8.144
  752    HA3  GLY 114           2HA      GLY 114  -1.654  14.046  -8.597
  753    H    THR 115           H        THR 115  -2.569  11.988  -5.881
  754    HA   THR 115           HA       THR 115  -1.919  13.974  -3.919
  755    HB   THR 115           HB       THR 115  -1.930  11.361  -2.787
  756    HG1  THR 115           1HG      THR 115  -4.381  11.355  -3.819
  757   HG21  THR 115          3HG2      THR 115  -3.834  13.688  -2.804
  758   HG22  THR 115          1HG2      THR 115  -2.721  13.188  -1.531
  759   HG23  THR 115          2HG2      THR 115  -4.152  12.222  -1.880
  760    H    LYS 116           H        LYS 116   0.260  14.423  -4.696
  761    HA   LYS 116           HA       LYS 116   2.172  13.025  -3.090
  762    HB2  LYS 116           2HB      LYS 116   1.908  12.306  -5.888
  763    HB3  LYS 116           1HB      LYS 116   3.498  12.984  -5.570
  764    HG2  LYS 116           2HG      LYS 116   3.131  11.235  -3.472
  765    HG3  LYS 116           1HG      LYS 116   2.393  10.401  -4.840
  766    HD2  LYS 116           2HD      LYS 116   5.167  11.594  -4.877
  767    HD3  LYS 116           1HD      LYS 116   4.823   9.900  -4.515
  768    HE2  LYS 116           2HE      LYS 116   4.784   9.439  -6.687
  769    HE3  LYS 116           1HE      LYS 116   3.464  10.585  -6.916
  770    HZ1  LYS 116           3HZ      LYS 116   6.371  11.224  -6.998
  771    HZ2  LYS 116           1HZ      LYS 116   5.116  12.357  -7.159
  772    HZ3  LYS 116           2HZ      LYS 116   5.318  11.147  -8.323
  773    H    ALA 117           H        ALA 117   1.107  15.707  -3.393
  774    HA   ALA 117           HA       ALA 117   3.517  17.156  -4.265
  775    HB1  ALA 117           1HB      ALA 117   1.661  19.041  -4.599
  776    HB2  ALA 117           2HB      ALA 117   2.117  17.910  -5.872
  777    HB3  ALA 117           3HB      ALA 117   0.672  17.617  -4.906
  778    H    GLU 118           H        GLU 118   4.243  18.818  -3.027
  779    HA   GLU 118           HA       GLU 118   2.727  19.924  -0.857
  780    HB2  GLU 118           2HB      GLU 118   3.399  18.225   0.544
  781    HB3  GLU 118           1HB      GLU 118   4.848  17.878  -0.385
  782    HG2  GLU 118           2HG      GLU 118   6.069  19.016   1.053
  783    HG3  GLU 118           1HG      GLU 118   5.108  20.463   0.766
  Start of MODEL    9
    1    H1   SER   1           1H       SER   1   5.068 -11.202  -9.963
    2    H2   SER   1           2H       SER   1   4.163 -10.004  -9.187
    3    H3   SER   1           3H       SER   1   4.290 -11.543  -8.495
    4    HA   SER   1           HA       SER   1   6.213  -9.354  -8.568
    5    HB2  SER   1           2HB      SER   1   6.081 -11.400  -6.414
    6    HB3  SER   1           1HB      SER   1   6.272  -9.650  -6.299
    7    HG   SER   1           HG       SER   1   4.230  -9.674  -5.802
    8    H    LEU   2           H        LEU   2   5.992 -12.730  -9.261
    9    HA   LEU   2           HA       LEU   2   7.468 -14.221 -10.096
   10    HB2  LEU   2           2HB      LEU   2   8.569 -11.661 -10.809
   11    HB3  LEU   2           1HB      LEU   2   9.866 -12.796 -10.485
   12    HG   LEU   2           HG       LEU   2   7.782 -13.932 -12.184
   13   HD11  LEU   2          1HD1      LEU   2   8.789 -12.528 -14.156
   14   HD12  LEU   2          2HD1      LEU   2   7.417 -11.926 -13.227
   15   HD13  LEU   2          3HD1      LEU   2   9.040 -11.327 -12.889
   16   HD21  LEU   2          3HD2      LEU   2  10.596 -14.106 -11.747
   17   HD22  LEU   2          1HD2      LEU   2   9.553 -15.173 -12.686
   18   HD23  LEU   2          2HD2      LEU   2  10.301 -13.773 -13.453
   19    HA   PRO   3           HA       PRO   3   9.515 -14.846  -6.071
   20    HB2  PRO   3           2HB      PRO   3   8.623 -17.595  -6.304
   21    HB3  PRO   3           1HB      PRO   3   8.149 -16.376  -5.121
   22    HG2  PRO   3           2HG      PRO   3   6.458 -17.346  -7.028
   23    HG3  PRO   3           1HG      PRO   3   6.316 -15.726  -6.322
   24    HD2  PRO   3           2HD      PRO   3   7.508 -16.555  -8.946
   25    HD3  PRO   3           1HD      PRO   3   6.479 -15.155  -8.565
   26    H    ALA   4           H        ALA   4  11.245 -14.586  -7.968
   27    HA   ALA   4           HA       ALA   4  12.472 -17.040  -8.819
   28    HB1  ALA   4           1HB      ALA   4  14.356 -14.996  -9.076
   29    HB2  ALA   4           2HB      ALA   4  13.283 -15.625 -10.326
   30    HB3  ALA   4           3HB      ALA   4  12.794 -14.230  -9.362
   31    H    SER   5           H        SER   5  13.946 -14.403  -6.915
   32    HA   SER   5           HA       SER   5  14.981 -16.462  -5.083
   33    HB2  SER   5           2HB      SER   5  16.867 -14.621  -4.787
   34    HB3  SER   5           1HB      SER   5  16.959 -15.821  -6.076
   35    HG   SER   5           HG       SER   5  16.559 -14.321  -7.537
   36    H    ALA   6           H        ALA   6  15.536 -13.031  -4.754
   37    HA   ALA   6           HA       ALA   6  14.111 -13.122  -2.200
   38    HB1  ALA   6           1HB      ALA   6  16.210 -12.314  -1.758
   39    HB2  ALA   6           2HB      ALA   6  16.323 -11.447  -3.292
   40    HB3  ALA   6           3HB      ALA   6  15.319 -10.811  -1.989
   41    H    ALA   7           H        ALA   7  13.654 -12.030  -5.339
   42    HA   ALA   7           HA       ALA   7  12.215 -10.617  -6.379
   43    HB1  ALA   7           1HB      ALA   7  10.660 -11.375  -3.927
   44    HB2  ALA   7           2HB      ALA   7   9.981 -10.340  -5.186
   45    HB3  ALA   7           3HB      ALA   7  10.496 -11.981  -5.577
   46    H    LYS   8           H        LYS   8  14.134  -9.119  -5.523
   47    HA   LYS   8           HA       LYS   8  13.385  -7.121  -3.624
   48    HB2  LYS   8           2HB      LYS   8  15.637  -7.024  -5.638
   49    HB3  LYS   8           1HB      LYS   8  15.492  -6.064  -4.173
   50    HG2  LYS   8           2HG      LYS   8  15.378  -8.573  -3.158
   51    HG3  LYS   8           1HG      LYS   8  16.442  -8.812  -4.546
   52    HD2  LYS   8           2HD      LYS   8  18.132  -7.728  -3.553
   53    HD3  LYS   8           1HD      LYS   8  17.083  -6.402  -3.047
   54    HE2  LYS   8           2HE      LYS   8  17.325  -7.151  -0.965
   55    HE3  LYS   8           1HE      LYS   8  16.321  -8.522  -1.436
   56    HZ1  LYS   8           3HZ      LYS   8  19.219  -8.368  -1.081
   57    HZ2  LYS   8           1HZ      LYS   8  18.635  -9.411  -2.287
   58    HZ3  LYS   8           2HZ      LYS   8  18.142  -9.613  -0.674
   59    H    ASN   9           H        ASN   9  11.665  -5.914  -4.183
   60    HA   ASN   9           HA       ASN   9  11.902  -4.250  -6.566
   61    HB2  ASN   9           2HB      ASN   9   9.738  -4.787  -7.416
   62    HB3  ASN   9           1HB      ASN   9  10.562  -6.316  -7.136
   63   HD21  ASN   9          1HD2      ASN   9  10.052  -7.428  -5.076
   64   HD22  ASN   9          2HD2      ASN   9   8.441  -7.296  -4.469
   65    H    ALA  10           H        ALA  10  11.217  -4.510  -3.316
   66    HA   ALA  10           HA       ALA  10   9.419  -2.183  -3.378
   67    HB1  ALA  10           1HB      ALA  10   9.441  -4.122  -1.101
   68    HB2  ALA  10           2HB      ALA  10   8.170  -3.010  -1.605
   69    HB3  ALA  10           3HB      ALA  10   8.507  -4.456  -2.558
   70    H    LYS  11           H        LYS  11   9.862  -0.474  -2.109
   71    HA   LYS  11           HA       LYS  11  12.051  -0.689  -0.147
   72    HB2  LYS  11           2HB      LYS  11  11.492   1.569  -2.071
   73    HB3  LYS  11           1HB      LYS  11  12.532   1.740  -0.667
   74    HG2  LYS  11           2HG      LYS  11  13.020  -0.320  -2.797
   75    HG3  LYS  11           1HG      LYS  11  13.698   1.307  -2.855
   76    HD2  LYS  11           2HD      LYS  11  15.375   0.611  -1.566
   77    HD3  LYS  11           1HD      LYS  11  14.216   0.326  -0.267
   78    HE2  LYS  11           2HE      LYS  11  14.073  -1.830  -2.125
   79    HE3  LYS  11           1HE      LYS  11  15.762  -1.561  -1.700
   80    HZ1  LYS  11           3HZ      LYS  11  13.697  -1.695   0.411
   81    HZ2  LYS  11           1HZ      LYS  11  15.363  -2.003   0.522
   82    HZ3  LYS  11           2HZ      LYS  11  14.341  -3.114  -0.245
   83    H    LEU  12           H        LEU  12   9.541   1.564  -1.215
   84    HA   LEU  12           HA       LEU  12   7.704   2.408  -0.207
   85    HB2  LEU  12           2HB      LEU  12   7.743   0.061   0.936
   86    HB3  LEU  12           1HB      LEU  12   8.289   0.955   2.341
   87    HG   LEU  12           HG       LEU  12   5.794   0.463   2.151
   88   HD11  LEU  12          1HD1      LEU  12   6.060   1.929   3.821
   89   HD12  LEU  12          2HD1      LEU  12   7.185   2.923   2.893
   90   HD13  LEU  12          3HD1      LEU  12   5.446   3.108   2.661
   91   HD21  LEU  12          3HD2      LEU  12   5.881   1.311  -0.324
   92   HD22  LEU  12          1HD2      LEU  12   4.460   1.613   0.677
   93   HD23  LEU  12          2HD2      LEU  12   5.652   2.889   0.427
   94    H    ALA  13           H        ALA  13  10.192   2.059   2.342
   95    HA   ALA  13           HA       ALA  13   9.564   4.622   3.451
   96    HB1  ALA  13           1HB      ALA  13  11.780   4.179   4.709
   97    HB2  ALA  13           2HB      ALA  13  10.400   3.127   5.022
   98    HB3  ALA  13           3HB      ALA  13  11.699   2.584   3.962
   99    H    THR  14           H        THR  14  12.102   3.338   1.378
  100    HA   THR  14           HA       THR  14  13.575   5.793   1.267
  101    HB   THR  14           HB       THR  14  14.062   3.800  -0.847
  102    HG1  THR  14           1HG      THR  14  14.430   3.120   1.911
  103   HG21  THR  14          3HG2      THR  14  15.713   5.171   1.276
  104   HG22  THR  14          1HG2      THR  14  15.716   5.475  -0.464
  105   HG23  THR  14          2HG2      THR  14  16.374   3.967   0.169
  106    H    SER  15           H        SER  15  10.670   5.125   0.028
  107    HA   SER  15           HA       SER  15  10.886   6.183  -2.616
  108    HB2  SER  15           2HB      SER  15   8.448   6.116  -0.832
  109    HB3  SER  15           1HB      SER  15   8.479   6.244  -2.592
  110    HG   SER  15           HG       SER  15   8.152   4.133  -2.281
  111    H    ALA  16           H        ALA  16  10.706   7.503   0.563
  112    HA   ALA  16           HA       ALA  16  10.860   9.614   1.382
  113    HB1  ALA  16           1HB      ALA  16  11.757  10.013  -1.421
  114    HB2  ALA  16           2HB      ALA  16  11.366  11.441  -0.465
  115    HB3  ALA  16           3HB      ALA  16  12.605  10.320   0.094
  116    H    ALA  17           H        ALA  17   9.195   9.729  -1.747
  117    HA   ALA  17           HA       ALA  17   7.382  11.777  -1.102
  118    HB1  ALA  17           1HB      ALA  17   6.882  11.554  -3.256
  119    HB2  ALA  17           2HB      ALA  17   7.993  10.184  -3.325
  120    HB3  ALA  17           3HB      ALA  17   6.280   9.918  -2.994
  121    H    PHE  18           H        PHE  18   7.292   8.302  -0.622
  122    HA   PHE  18           HA       PHE  18   4.558   8.209   0.183
  123    HB2  PHE  18           2HB      PHE  18   6.064   6.247  -0.600
  124    HB3  PHE  18           1HB      PHE  18   6.617   6.204   1.072
  125    HD1  PHE  18           2HD      PHE  18   5.115   5.543   2.867
  126    HD2  PHE  18           1HD      PHE  18   3.825   5.586  -1.191
  127    HE1  PHE  18           2HE      PHE  18   3.143   4.207   3.482
  128    HE2  PHE  18           1HE      PHE  18   1.854   4.250  -0.581
  129    HZ   PHE  18           HZ       PHE  18   1.510   3.558   1.756
  130    H    ALA  19           H        ALA  19   7.581   8.889   1.765
  131    HA   ALA  19           HA       ALA  19   6.637   8.613   4.435
  132    HB1  ALA  19           1HB      ALA  19   8.824   8.782   4.765
  133    HB2  ALA  19           2HB      ALA  19   9.076   9.435   3.145
  134    HB3  ALA  19           3HB      ALA  19   8.675  10.516   4.481
  135    H    LYS  20           H        LYS  20   6.291  11.064   2.021
  136    HA   LYS  20           HA       LYS  20   5.627  13.237   3.725
  137    HB2  LYS  20           2HB      LYS  20   4.724  12.685   0.887
  138    HB3  LYS  20           1HB      LYS  20   4.593  14.226   1.719
  139    HG2  LYS  20           2HG      LYS  20   7.030  14.368   1.847
  140    HG3  LYS  20           1HG      LYS  20   7.160  12.823   1.006
  141    HD2  LYS  20           2HD      LYS  20   5.738  13.950  -0.824
  142    HD3  LYS  20           1HD      LYS  20   6.188  15.462  -0.036
  143    HE2  LYS  20           2HE      LYS  20   8.154  13.399  -1.016
  144    HE3  LYS  20           1HE      LYS  20   7.666  14.824  -1.936
  145    HZ1  LYS  20           3HZ      LYS  20   9.383  15.801  -0.927
  146    HZ2  LYS  20           1HZ      LYS  20   9.505  14.602   0.266
  147    HZ3  LYS  20           2HZ      LYS  20   8.393  15.872   0.446
  148    H    GLN  21           H        GLN  21   3.931  10.481   2.504
  149    HA   GLN  21           HA       GLN  21   1.274  11.287   2.961
  150    HB2  GLN  21           2HB      GLN  21   2.558   9.058   1.942
  151    HB3  GLN  21           1HB      GLN  21   1.811   8.447   3.410
  152    HG2  GLN  21           2HG      GLN  21  -0.318   9.628   2.485
  153    HG3  GLN  21           1HG      GLN  21   0.547   9.540   0.948
  154   HE21  GLN  21          1HE2      GLN  21   0.357   7.732  -0.183
  155   HE22  GLN  21          2HE2      GLN  21  -0.221   6.217   0.411
  156    H    ALA  22           H        ALA  22   3.768  10.026   5.040
  157    HA   ALA  22           HA       ALA  22   2.095   9.201   7.179
  158    HB1  ALA  22           1HB      ALA  22   4.699   8.802   6.542
  159    HB2  ALA  22           2HB      ALA  22   4.849   9.986   7.842
  160    HB3  ALA  22           3HB      ALA  22   3.998   8.467   8.127
  161    H    GLU  23           H        GLU  23   3.224  12.265   6.139
  162    HA   GLU  23           HA       GLU  23   2.536  13.442   8.745
  163    HB2  GLU  23           2HB      GLU  23   4.103  14.663   6.467
  164    HB3  GLU  23           1HB      GLU  23   3.771  15.432   8.013
  165    HG2  GLU  23           2HG      GLU  23   5.238  12.826   7.843
  166    HG3  GLU  23           1HG      GLU  23   6.066  14.371   7.658
  167    H    GLY  24           H        GLY  24   1.681  13.284   5.396
  168    HA2  GLY  24           1HA      GLY  24  -0.021  15.598   5.403
  169    HA3  GLY  24           2HA      GLY  24   0.054  14.362   4.156
  170    H    THR  25           H        THR  25  -0.391  12.252   6.220
  171    HA   THR  25           HA       THR  25  -3.186  12.785   6.923
  172    HB   THR  25           HB       THR  25  -3.132  10.094   6.142
  173    HG1  THR  25           1HG      THR  25  -1.242  10.546   4.912
  174   HG21  THR  25          3HG2      THR  25  -4.946  10.690   4.902
  175   HG22  THR  25          1HG2      THR  25  -4.169  12.133   4.260
  176   HG23  THR  25          2HG2      THR  25  -4.818  12.140   5.898
  177    H    THR  26           H        THR  26  -4.007  11.362   8.590
  178    HA   THR  26           HA       THR  26  -1.907  10.598  10.426
  179    HB   THR  26           HB       THR  26  -3.536  11.619  11.676
  180    HG1  THR  26           1HG      THR  26  -4.418   8.905  11.610
  181   HG21  THR  26          3HG2      THR  26  -5.485  10.480   9.704
  182   HG22  THR  26          1HG2      THR  26  -5.185  12.167  10.132
  183   HG23  THR  26          2HG2      THR  26  -6.037  11.110  11.257
  184    H    CYS  27           H        CYS  27  -0.975   8.779   9.606
  185    HA   CYS  27           HA       CYS  27  -2.484   6.345  10.084
  186    HB2  CYS  27           2HB      CYS  27  -0.898   5.904   7.725
  187    HB3  CYS  27           1HB      CYS  27  -2.623   5.654   7.954
  188    H    ASN  28           H        ASN  28  -1.264   4.835  11.059
  189    HA   ASN  28           HA       ASN  28   1.400   5.589  11.863
  190    HB2  ASN  28           2HB      ASN  28  -0.457   4.442  13.283
  191    HB3  ASN  28           1HB      ASN  28   0.090   2.964  12.504
  192   HD21  ASN  28          1HD2      ASN  28   0.356   2.631  14.934
  193   HD22  ASN  28          2HD2      ASN  28   1.941   2.961  15.564
  194    H    VAL  29           H        VAL  29   3.057   3.684  11.939
  195    HA   VAL  29           HA       VAL  29   3.900   3.147   9.346
  196    HB   VAL  29           HB       VAL  29   5.509   3.097  11.105
  197   HG11  VAL  29          1HG1      VAL  29   5.413   1.908  13.042
  198   HG12  VAL  29          2HG1      VAL  29   3.688   2.079  12.723
  199   HG13  VAL  29          3HG1      VAL  29   4.514   0.575  12.315
  200   HG21  VAL  29          3HG2      VAL  29   6.504   0.761  10.817
  201   HG22  VAL  29          1HG2      VAL  29   5.113   0.431   9.784
  202   HG23  VAL  29          2HG2      VAL  29   6.240   1.718   9.359
  203    H    GLY  30           H        GLY  30   2.074   1.058  11.570
  204    HA2  GLY  30           1HA      GLY  30   1.850  -0.982   9.484
  205    HA3  GLY  30           2HA      GLY  30   1.341  -1.151  11.159
  206    H    SER  31           H        SER  31   0.386   1.777   9.796
  207    HA   SER  31           HA       SER  31  -2.228   0.693   9.019
  208    HB2  SER  31           2HB      SER  31  -2.294   3.344  10.295
  209    HB3  SER  31           1HB      SER  31  -3.377   1.967  10.497
  210    HG   SER  31           HG       SER  31  -1.648   1.012  11.779
  211    H    ILE  32           H        ILE  32   0.315   1.909   7.743
  212    HA   ILE  32           HA       ILE  32  -1.069   3.901   6.093
  213    HB   ILE  32           HB       ILE  32   1.235   4.342   7.266
  214   HG12  ILE  32          2HG1      ILE  32   1.467   5.209   4.477
  215   HG13  ILE  32          1HG1      ILE  32  -0.127   5.472   5.177
  216   HG21  ILE  32          1HG2      ILE  32   3.110   3.921   5.588
  217   HG22  ILE  32          2HG2      ILE  32   2.575   2.564   6.577
  218   HG23  ILE  32          3HG2      ILE  32   2.051   2.691   4.899
  219   HD11  ILE  32          3HD1      ILE  32   1.383   6.418   7.173
  220   HD12  ILE  32          1HD1      ILE  32   2.450   6.755   5.807
  221   HD13  ILE  32          2HD1      ILE  32   0.812   7.410   5.831
  222    H    ALA  33           H        ALA  33  -1.383   3.523   3.926
  223    HA   ALA  33           HA       ALA  33  -0.347   1.066   2.777
  224    HB1  ALA  33           1HB      ALA  33  -3.194   1.414   3.620
  225    HB2  ALA  33           2HB      ALA  33  -2.785   0.396   2.239
  226    HB3  ALA  33           3HB      ALA  33  -2.123   0.028   3.833
  227    H    CYS  34           H        CYS  34  -1.468   0.672   0.612
  228    HA   CYS  34           HA       CYS  34  -2.285   3.187  -0.670
  229    HB2  CYS  34           2HB      CYS  34  -0.325   1.120  -1.575
  230    HB3  CYS  34           1HB      CYS  34  -1.322   1.914  -2.789
  231    H    CYS  35           H        CYS  35  -4.158   3.056  -1.807
  232    HA   CYS  35           HA       CYS  35  -5.363   0.380  -2.029
  233    HB2  CYS  35           2HB      CYS  35  -6.417   2.537  -0.718
  234    HB3  CYS  35           1HB      CYS  35  -7.156   2.696  -2.308
  235    H    ASN  36           H        ASN  36  -6.797   0.094  -3.938
  236    HA   ASN  36           HA       ASN  36  -5.993   1.661  -6.245
  237    HB2  ASN  36           2HB      ASN  36  -4.134   0.189  -6.134
  238    HB3  ASN  36           1HB      ASN  36  -5.152  -1.196  -5.760
  239   HD21  ASN  36          1HD2      ASN  36  -4.790   1.251  -8.314
  240   HD22  ASN  36          2HD2      ASN  36  -4.972   0.145  -9.634
  241    H    SER  37           H        SER  37  -7.139   1.064  -8.184
  242    HA   SER  37           HA       SER  37  -9.848   0.717  -7.971
  243    HB2  SER  37           2HB      SER  37  -8.843  -0.361 -10.465
  244    HB3  SER  37           1HB      SER  37  -9.691   1.165 -10.169
  245    HG   SER  37           HG       SER  37  -7.053   0.735 -10.626
  246    HA   PRO  38           HA       PRO  38 -10.520  -3.499  -6.787
  247    HB2  PRO  38           2HB      PRO  38 -12.959  -3.190  -8.475
  248    HB3  PRO  38           1HB      PRO  38 -12.808  -3.758  -6.807
  249    HG2  PRO  38           2HG      PRO  38 -13.716  -1.321  -7.292
  250    HG3  PRO  38           1HG      PRO  38 -12.580  -1.597  -5.958
  251    HD2  PRO  38           2HD      PRO  38 -12.068  -0.430  -8.665
  252    HD3  PRO  38           1HD      PRO  38 -11.403   0.050  -7.089
  253    H    ALA  39           H        ALA  39 -11.194  -2.668 -10.203
  254    HA   ALA  39           HA       ALA  39 -11.005  -5.385 -11.074
  255    HB1  ALA  39           1HB      ALA  39 -10.564  -3.762 -13.303
  256    HB2  ALA  39           2HB      ALA  39 -12.095  -4.466 -12.781
  257    HB3  ALA  39           3HB      ALA  39 -11.649  -2.840 -12.261
  258    H    GLU  40           H        GLU  40  -8.707  -3.193 -10.108
  259    HA   GLU  40           HA       GLU  40  -6.594  -4.350 -11.781
  260    HB2  GLU  40           2HB      GLU  40  -7.106  -1.734 -10.786
  261    HB3  GLU  40           1HB      GLU  40  -5.648  -2.314  -9.998
  262    HG2  GLU  40           2HG      GLU  40  -4.787  -2.875 -12.303
  263    HG3  GLU  40           1HG      GLU  40  -6.152  -1.946 -12.930
  264    H    THR  41           H        THR  41  -7.398  -3.559  -8.438
  265    HA   THR  41           HA       THR  41  -5.349  -4.936  -7.131
  266    HB   THR  41           HB       THR  41  -8.198  -4.494  -6.203
  267    HG1  THR  41           1HG      THR  41  -6.320  -2.730  -6.822
  268   HG21  THR  41          3HG2      THR  41  -5.800  -4.579  -4.411
  269   HG22  THR  41          1HG2      THR  41  -6.621  -6.071  -4.873
  270   HG23  THR  41          2HG2      THR  41  -7.504  -4.808  -4.012
  271    H    ASN  42           H        ASN  42  -8.454  -6.037  -8.364
  272    HA   ASN  42           HA       ASN  42  -7.933  -8.749  -7.365
  273    HB2  ASN  42           2HB      ASN  42 -10.313  -7.136  -7.831
  274    HB3  ASN  42           1HB      ASN  42 -10.438  -8.742  -8.541
  275   HD21  ASN  42          1HD2      ASN  42  -9.412  -7.176  -5.536
  276   HD22  ASN  42          2HD2      ASN  42 -10.071  -8.379  -4.480
  277    H    ASN  43           H        ASN  43  -6.871  -7.258  -9.835
  278    HA   ASN  43           HA       ASN  43  -7.966  -8.447 -12.145
  279    HB2  ASN  43           2HB      ASN  43  -6.335  -6.430 -11.908
  280    HB3  ASN  43           1HB      ASN  43  -5.072  -7.651 -11.992
  281   HD21  ASN  43          1HD2      ASN  43  -7.701  -6.121 -13.702
  282   HD22  ASN  43          2HD2      ASN  43  -7.226  -6.641 -15.283
  283    H    ASP  44           H        ASP  44  -5.276  -9.410 -10.065
  284    HA   ASP  44           HA       ASP  44  -4.813 -11.798 -11.650
  285    HB2  ASP  44           2HB      ASP  44  -2.897 -10.575 -10.645
  286    HB3  ASP  44           1HB      ASP  44  -3.515 -10.978  -9.039
  287    H    SER  45           H        SER  45  -5.284 -13.848 -11.054
  288    HA   SER  45           HA       SER  45  -7.567 -14.315  -9.532
  289    HB2  SER  45           2HB      SER  45  -6.060 -16.709  -9.713
  290    HB3  SER  45           1HB      SER  45  -7.404 -16.189 -10.736
  291    HG   SER  45           HG       SER  45  -4.751 -16.300 -11.309
  292    H    LEU  46           H        LEU  46  -4.138 -14.598  -8.685
  293    HA   LEU  46           HA       LEU  46  -4.835 -15.768  -6.103
  294    HB2  LEU  46           2HB      LEU  46  -2.758 -16.261  -7.789
  295    HB3  LEU  46           1HB      LEU  46  -2.014 -15.134  -6.669
  296    HG   LEU  46           HG       LEU  46  -3.461 -17.139  -5.197
  297   HD11  LEU  46          1HD1      LEU  46  -3.131 -18.535  -7.165
  298   HD12  LEU  46          2HD1      LEU  46  -1.403 -18.188  -7.134
  299   HD13  LEU  46          3HD1      LEU  46  -2.145 -19.092  -5.814
  300   HD21  LEU  46          3HD2      LEU  46  -0.487 -16.971  -5.298
  301   HD22  LEU  46          1HD2      LEU  46  -1.401 -15.591  -4.688
  302   HD23  LEU  46          2HD2      LEU  46  -1.564 -17.166  -3.913
  303    H    LEU  47           H        LEU  47  -4.044 -12.732  -7.483
  304    HA   LEU  47           HA       LEU  47  -2.789 -11.418  -5.368
  305    HB2  LEU  47           2HB      LEU  47  -3.722 -10.695  -7.855
  306    HB3  LEU  47           1HB      LEU  47  -4.757  -9.774  -6.783
  307    HG   LEU  47           HG       LEU  47  -1.810  -9.681  -6.315
  308   HD11  LEU  47          1HD1      LEU  47  -3.034  -8.941  -8.806
  309   HD12  LEU  47          2HD1      LEU  47  -2.419  -7.508  -7.979
  310   HD13  LEU  47          3HD1      LEU  47  -1.339  -8.860  -8.324
  311   HD21  LEU  47          3HD2      LEU  47  -4.201  -8.229  -5.544
  312   HD22  LEU  47          1HD2      LEU  47  -2.607  -8.260  -4.792
  313   HD23  LEU  47          2HD2      LEU  47  -2.929  -7.161  -6.132
  314    H    SER  48           H        SER  48  -6.191 -12.112  -5.896
  315    HA   SER  48           HA       SER  48  -7.249 -10.439  -3.900
  316    HB2  SER  48           2HB      SER  48  -8.343 -11.939  -5.837
  317    HB3  SER  48           1HB      SER  48  -8.625 -13.009  -4.455
  318    HG   SER  48           HG       SER  48 -10.068 -10.951  -5.163
  319    H    GLY  49           H        GLY  49  -5.644 -13.515  -3.702
  320    HA2  GLY  49           1HA      GLY  49  -6.342 -13.743  -0.849
  321    HA3  GLY  49           2HA      GLY  49  -5.568 -14.991  -1.816
  322    H    LEU  50           H        LEU  50  -3.858 -12.727  -2.956
  323    HA   LEU  50           HA       LEU  50  -1.588 -13.108  -1.336
  324    HB2  LEU  50           2HB      LEU  50  -2.043 -12.234  -3.857
  325    HB3  LEU  50           1HB      LEU  50  -1.685 -10.715  -3.061
  326    HG   LEU  50           HG       LEU  50   0.437 -11.896  -2.198
  327   HD11  LEU  50          1HD1      LEU  50  -0.639 -14.117  -3.225
  328   HD12  LEU  50          2HD1      LEU  50   0.300 -13.581  -4.620
  329   HD13  LEU  50          3HD1      LEU  50   1.100 -13.868  -3.073
  330   HD21  LEU  50          3HD2      LEU  50   0.224 -11.369  -5.155
  331   HD22  LEU  50          1HD2      LEU  50   0.338 -10.108  -3.924
  332   HD23  LEU  50          2HD2      LEU  50   1.664 -11.250  -4.144
  333    H    LEU  51           H        LEU  51  -4.005 -10.542  -1.484
  334    HA   LEU  51           HA       LEU  51  -2.608  -8.780   0.269
  335    HB2  LEU  51           2HB      LEU  51  -5.033  -7.814   0.521
  336    HB3  LEU  51           1HB      LEU  51  -4.133  -7.603  -0.967
  337    HG   LEU  51           HG       LEU  51  -5.501  -9.955  -1.415
  338   HD11  LEU  51          1HD1      LEU  51  -7.623  -9.874  -0.567
  339   HD12  LEU  51          2HD1      LEU  51  -6.733  -9.154   0.775
  340   HD13  LEU  51          3HD1      LEU  51  -7.592  -8.121  -0.367
  341   HD21  LEU  51          3HD2      LEU  51  -5.219  -7.486  -2.578
  342   HD22  LEU  51          1HD2      LEU  51  -6.183  -8.817  -3.218
  343   HD23  LEU  51          2HD2      LEU  51  -6.950  -7.559  -2.240
  344    H    GLY  52           H        GLY  52  -4.862 -11.401   0.707
  345    HA2  GLY  52           1HA      GLY  52  -5.472 -10.693   3.444
  346    HA3  GLY  52           2HA      GLY  52  -6.051 -12.106   2.571
  347    H    ALA  53           H        ALA  53  -2.806 -10.893   3.417
  348    HA   ALA  53           HA       ALA  53  -1.846 -13.519   4.013
  349    HB1  ALA  53           1HB      ALA  53   0.115 -12.503   3.733
  350    HB2  ALA  53           2HB      ALA  53  -0.721 -10.957   3.582
  351    HB3  ALA  53           3HB      ALA  53  -0.167 -11.513   5.164
  352    H    GLY  54           H        GLY  54  -3.280 -10.943   5.800
  353    HA2  GLY  54           1HA      GLY  54  -3.208 -12.610   8.220
  354    HA3  GLY  54           2HA      GLY  54  -2.739 -10.915   8.318
  355    H    LEU  55           H        LEU  55  -4.279  -9.329   8.257
  356    HA   LEU  55           HA       LEU  55  -7.077 -10.210   8.025
  357    HB2  LEU  55           2HB      LEU  55  -5.842  -9.433  10.386
  358    HB3  LEU  55           1HB      LEU  55  -6.679  -7.984   9.862
  359    HG   LEU  55           HG       LEU  55  -7.995 -10.678  10.253
  360   HD11  LEU  55          1HD1      LEU  55  -7.043  -9.279  12.277
  361   HD12  LEU  55          2HD1      LEU  55  -8.511  -8.337  12.005
  362   HD13  LEU  55          3HD1      LEU  55  -8.625 -10.061  12.358
  363   HD21  LEU  55          3HD2      LEU  55  -9.508  -8.135  10.189
  364   HD22  LEU  55          1HD2      LEU  55  -8.894  -8.741   8.650
  365   HD23  LEU  55          2HD2      LEU  55  -9.967  -9.742   9.628
  366    H    LEU  56           H        LEU  56  -6.116  -9.294   5.806
  367    HA   LEU  56           HA       LEU  56  -6.245  -6.423   5.648
  368    HB2  LEU  56           2HB      LEU  56  -4.910  -8.092   4.118
  369    HB3  LEU  56           1HB      LEU  56  -6.411  -8.127   3.214
  370    HG   LEU  56           HG       LEU  56  -5.499  -5.421   3.857
  371   HD11  LEU  56          1HD1      LEU  56  -3.424  -7.031   3.291
  372   HD12  LEU  56          2HD1      LEU  56  -3.934  -6.599   1.660
  373   HD13  LEU  56          3HD1      LEU  56  -3.510  -5.335   2.813
  374   HD21  LEU  56          3HD2      LEU  56  -5.804  -6.131   1.065
  375   HD22  LEU  56          1HD2      LEU  56  -7.181  -6.656   2.035
  376   HD23  LEU  56          2HD2      LEU  56  -6.695  -4.960   2.040
  377    H    ASN  57           H        ASN  57  -8.119  -5.649   6.099
  378    HA   ASN  57           HA       ASN  57 -10.559  -6.697   4.942
  379    HB2  ASN  57           2HB      ASN  57 -11.545  -4.704   6.234
  380    HB3  ASN  57           1HB      ASN  57 -10.852  -6.021   7.178
  381   HD21  ASN  57          1HD2      ASN  57 -10.615  -2.737   6.280
  382   HD22  ASN  57          2HD2      ASN  57  -9.277  -2.330   7.293
  383    H    GLY  58           H        GLY  58 -12.068  -4.867   4.063
  384    HA2  GLY  58           1HA      GLY  58 -10.544  -3.765   1.830
  385    HA3  GLY  58           2HA      GLY  58 -12.283  -4.016   1.876
  386    H    LEU  59           H        LEU  59 -12.436  -1.890   0.988
  387    HA   LEU  59           HA       LEU  59 -11.484   0.424   2.309
  388    HB2  LEU  59           2HB      LEU  59 -13.013  -0.234  -0.046
  389    HB3  LEU  59           1HB      LEU  59 -13.746   1.120   0.792
  390    HG   LEU  59           HG       LEU  59 -11.114   0.951  -0.596
  391   HD11  LEU  59          1HD1      LEU  59 -11.796   2.970  -1.581
  392   HD12  LEU  59          2HD1      LEU  59 -13.255   1.981  -1.505
  393   HD13  LEU  59          3HD1      LEU  59 -13.004   3.270  -0.329
  394   HD21  LEU  59          3HD2      LEU  59 -10.006   1.887   1.096
  395   HD22  LEU  59          1HD2      LEU  59 -10.984   3.329   0.812
  396   HD23  LEU  59          2HD2      LEU  59 -11.486   2.144   2.021
  397    H    SER  60           H        SER  60 -12.763   2.098   3.272
  398    HA   SER  60           HA       SER  60 -14.296   1.384   5.436
  399    HB2  SER  60           2HB      SER  60 -15.061   3.940   5.095
  400    HB3  SER  60           1HB      SER  60 -13.461   3.496   5.687
  401    HG   SER  60           HG       SER  60 -14.240   4.488   3.188
  402    H    GLY  61           H        GLY  61 -15.899  -0.083   4.747
  403    HA2  GLY  61           1HA      GLY  61 -18.204  -0.428   4.595
  404    HA3  GLY  61           2HA      GLY  61 -18.399   1.246   4.099
  405    H    ASN  62           H        ASN  62 -15.965  -0.236   2.297
  406    HA   ASN  62           HA       ASN  62 -17.887  -0.813   0.134
  407    HB2  ASN  62           2HB      ASN  62 -16.364   1.288  -0.051
  408    HB3  ASN  62           1HB      ASN  62 -15.090   0.130  -0.421
  409   HD21  ASN  62          1HD2      ASN  62 -14.756   0.063  -2.522
  410   HD22  ASN  62          2HD2      ASN  62 -15.980   0.065  -3.741
  411    H    THR  63           H        THR  63 -17.980  -2.974   0.167
  412    HA   THR  63           HA       THR  63 -15.685  -4.648   0.446
  413    HB   THR  63           HB       THR  63 -18.115  -5.747  -0.849
  414    HG1  THR  63           1HG      THR  63 -18.704  -5.561   1.732
  415   HG21  THR  63          3HG2      THR  63 -17.649  -7.125   1.470
  416   HG22  THR  63          1HG2      THR  63 -16.036  -6.549   1.056
  417   HG23  THR  63          2HG2      THR  63 -16.947  -7.522  -0.098
  418    H    GLY  64           H        GLY  64 -14.152  -4.489  -1.112
  419    HA2  GLY  64           1HA      GLY  64 -14.230  -5.685  -3.517
  420    HA3  GLY  64           2HA      GLY  64 -14.889  -4.099  -3.890
  421    H    SER  65           H        SER  65 -13.473  -2.283  -2.777
  422    HA   SER  65           HA       SER  65 -10.868  -2.496  -3.946
  423    HB2  SER  65           2HB      SER  65 -11.286  -0.192  -2.207
  424    HB3  SER  65           1HB      SER  65 -10.962  -0.243  -3.940
  425    HG   SER  65           HG       SER  65 -12.972   0.365  -4.102
  426    H    ALA  66           H        ALA  66  -9.146  -3.295  -2.974
  427    HA   ALA  66           HA       ALA  66  -9.106  -3.382  -0.034
  428    HB1  ALA  66           1HB      ALA  66  -7.800  -5.284  -1.979
  429    HB2  ALA  66           2HB      ALA  66  -7.712  -5.383  -0.221
  430    HB3  ALA  66           3HB      ALA  66  -9.258  -5.609  -1.043
  431    H    CYS  67           H        CYS  67  -7.365  -2.565   1.006
  432    HA   CYS  67           HA       CYS  67  -5.232  -1.463  -0.707
  433    HB2  CYS  67           2HB      CYS  67  -5.612  -0.233   1.953
  434    HB3  CYS  67           1HB      CYS  67  -5.266   0.522   0.406
  435    H    ALA  68           H        ALA  68  -3.164  -1.991  -0.211
  436    HA   ALA  68           HA       ALA  68  -2.849  -3.844   2.042
  437    HB1  ALA  68           1HB      ALA  68  -0.826  -3.587  -0.140
  438    HB2  ALA  68           2HB      ALA  68  -1.204  -4.974   0.881
  439    HB3  ALA  68           3HB      ALA  68  -2.310  -4.502  -0.409
  440    H    LYS  69           H        LYS  69  -1.588  -3.373   3.672
  441    HA   LYS  69           HA       LYS  69  -0.559  -0.719   3.923
  442    HB2  LYS  69           2HB      LYS  69   0.360  -2.181   6.115
  443    HB3  LYS  69           1HB      LYS  69  -1.091  -1.190   6.043
  444    HG2  LYS  69           2HG      LYS  69  -1.262  -3.988   5.060
  445    HG3  LYS  69           1HG      LYS  69  -1.167  -3.717   6.801
  446    HD2  LYS  69           2HD      LYS  69  -3.234  -2.787   6.905
  447    HD3  LYS  69           1HD      LYS  69  -3.090  -2.030   5.316
  448    HE2  LYS  69           2HE      LYS  69  -4.178  -3.697   4.335
  449    HE3  LYS  69           1HE      LYS  69  -3.138  -4.904   5.092
  450    HZ1  LYS  69           3HZ      LYS  69  -4.997  -3.772   6.945
  451    HZ2  LYS  69           1HZ      LYS  69  -4.705  -5.402   6.563
  452    HZ3  LYS  69           2HZ      LYS  69  -5.783  -4.481   5.627
  453    H    ALA  70           H        ALA  70   1.677  -0.396   4.872
  454    HA   ALA  70           HA       ALA  70   3.596  -1.136   2.988
  455    HB1  ALA  70           1HB      ALA  70   3.517   0.402   5.411
  456    HB2  ALA  70           2HB      ALA  70   5.011  -0.530   5.311
  457    HB3  ALA  70           3HB      ALA  70   4.568   0.568   4.004
  458    H    SER  71           H        SER  71   2.652  -2.718   5.971
  459    HA   SER  71           HA       SER  71   4.922  -4.422   6.165
  460    HB2  SER  71           2HB      SER  71   2.603  -5.605   7.360
  461    HB3  SER  71           1HB      SER  71   3.978  -4.845   8.159
  462    HG   SER  71           HG       SER  71   2.383  -3.554   8.768
  463    H    LEU  72           H        LEU  72   1.779  -4.569   4.638
  464    HA   LEU  72           HA       LEU  72   2.012  -7.310   3.836
  465    HB2  LEU  72           2HB      LEU  72  -0.040  -5.464   4.011
  466    HB3  LEU  72           1HB      LEU  72   0.178  -5.656   2.281
  467    HG   LEU  72           HG       LEU  72  -1.512  -7.184   3.006
  468   HD11  LEU  72          1HD1      LEU  72  -0.503  -8.345   1.364
  469   HD12  LEU  72          2HD1      LEU  72   1.096  -8.178   2.092
  470   HD13  LEU  72          3HD1      LEU  72  -0.022  -9.405   2.691
  471   HD21  LEU  72          3HD2      LEU  72   0.438  -8.543   4.823
  472   HD22  LEU  72          1HD2      LEU  72  -0.555  -7.206   5.405
  473   HD23  LEU  72          2HD2      LEU  72  -1.319  -8.670   4.786
  474    H    ILE  73           H        ILE  73   2.712  -4.170   2.463
  475    HA   ILE  73           HA       ILE  73   3.173  -4.953  -0.181
  476    HB   ILE  73           HB       ILE  73   4.012  -2.645   1.499
  477   HG12  ILE  73          2HG1      ILE  73   3.101  -2.366  -1.306
  478   HG13  ILE  73          1HG1      ILE  73   1.954  -3.099  -0.194
  479   HG21  ILE  73          1HG2      ILE  73   6.061  -2.574   0.552
  480   HG22  ILE  73          2HG2      ILE  73   5.599  -3.642  -0.772
  481   HG23  ILE  73          3HG2      ILE  73   5.182  -1.927  -0.834
  482   HD11  ILE  73          3HD1      ILE  73   2.937  -0.335  -0.362
  483   HD12  ILE  73          1HD1      ILE  73   1.355  -0.958   0.107
  484   HD13  ILE  73          2HD1      ILE  73   2.690  -0.980   1.261
  485    H    ASP  74           H        ASP  74   5.207  -4.979   2.681
  486    HA   ASP  74           HA       ASP  74   7.544  -5.962   1.334
  487    HB2  ASP  74           2HB      ASP  74   7.776  -4.645   3.366
  488    HB3  ASP  74           1HB      ASP  74   6.823  -5.816   4.272
  489    H    GLN  75           H        GLN  75   4.711  -7.371   2.693
  490    HA   GLN  75           HA       GLN  75   5.863  -9.925   3.290
  491    HB2  GLN  75           2HB      GLN  75   3.471  -8.602   3.900
  492    HB3  GLN  75           1HB      GLN  75   2.998 -10.007   2.953
  493    HG2  GLN  75           2HG      GLN  75   2.972 -10.902   5.044
  494    HG3  GLN  75           1HG      GLN  75   4.638 -11.251   4.581
  495   HE21  GLN  75          1HE2      GLN  75   5.881  -8.873   4.932
  496   HE22  GLN  75          2HE2      GLN  75   5.808  -8.400   6.585
  497    H    LEU  76           H        LEU  76   3.625  -8.775   0.753
  498    HA   LEU  76           HA       LEU  76   4.181 -11.300  -0.664
  499    HB2  LEU  76           2HB      LEU  76   1.668  -9.836  -0.143
  500    HB3  LEU  76           1HB      LEU  76   1.830 -10.566  -1.728
  501    HG   LEU  76           HG       LEU  76   0.735 -12.210  -0.501
  502   HD11  LEU  76          1HD1      LEU  76   3.434 -12.672  -1.202
  503   HD12  LEU  76          2HD1      LEU  76   3.112 -13.543   0.295
  504   HD13  LEU  76          3HD1      LEU  76   2.107 -13.832  -1.125
  505   HD21  LEU  76          3HD2      LEU  76   2.646 -11.908   1.796
  506   HD22  LEU  76          1HD2      LEU  76   1.124 -11.022   1.692
  507   HD23  LEU  76          2HD2      LEU  76   1.115 -12.785   1.756
  508    H    GLY  77           H        GLY  77   4.040  -7.838  -0.922
  509    HA2  GLY  77           1HA      GLY  77   5.013  -6.512  -2.565
  510    HA3  GLY  77           2HA      GLY  77   5.476  -7.979  -3.416
  511    H    LEU  78           H        LEU  78   2.346  -6.620  -2.474
  512    HA   LEU  78           HA       LEU  78   1.142  -7.348  -4.961
  513    HB2  LEU  78           2HB      LEU  78   0.045  -5.496  -2.851
  514    HB3  LEU  78           1HB      LEU  78  -0.863  -6.356  -4.079
  515    HG   LEU  78           HG       LEU  78   0.385  -8.404  -2.735
  516   HD11  LEU  78          1HD1      LEU  78  -0.383  -7.770  -0.328
  517   HD12  LEU  78          2HD1      LEU  78   1.209  -7.279  -0.907
  518   HD13  LEU  78          3HD1      LEU  78  -0.115  -6.116  -0.888
  519   HD21  LEU  78          3HD2      LEU  78  -1.896  -8.441  -3.466
  520   HD22  LEU  78          1HD2      LEU  78  -1.857  -8.755  -1.731
  521   HD23  LEU  78          2HD2      LEU  78  -2.328  -7.165  -2.328
  522    H    LEU  79           H        LEU  79   2.182  -6.285  -6.610
  523    HA   LEU  79           HA       LEU  79   2.688  -3.467  -6.535
  524    HB2  LEU  79           2HB      LEU  79   2.760  -4.590  -9.194
  525    HB3  LEU  79           1HB      LEU  79   4.055  -3.887  -8.245
  526    HG   LEU  79           HG       LEU  79   3.735  -6.361  -7.081
  527   HD11  LEU  79          1HD1      LEU  79   3.231  -6.564 -10.041
  528   HD12  LEU  79          2HD1      LEU  79   3.832  -7.906  -9.067
  529   HD13  LEU  79          3HD1      LEU  79   2.250  -7.207  -8.724
  530   HD21  LEU  79          3HD2      LEU  79   5.585  -5.512  -9.306
  531   HD22  LEU  79          1HD2      LEU  79   5.847  -5.298  -7.574
  532   HD23  LEU  79          2HD2      LEU  79   5.819  -6.918  -8.268
  533    H    ALA  80           H        ALA  80  -0.158  -4.942  -6.750
  534    HA   ALA  80           HA       ALA  80  -1.387  -3.762  -9.010
  535    HB1  ALA  80           1HB      ALA  80  -3.030  -4.272  -6.594
  536    HB2  ALA  80           2HB      ALA  80  -3.309  -4.732  -8.274
  537    HB3  ALA  80           3HB      ALA  80  -2.171  -5.647  -7.287
  538    H    LEU  81           H        LEU  81  -1.080  -2.778  -5.634
  539    HA   LEU  81           HA       LEU  81  -2.492  -0.290  -6.191
  540    HB2  LEU  81           2HB      LEU  81  -1.789  -0.132  -3.573
  541    HB3  LEU  81           1HB      LEU  81  -3.303  -0.781  -4.172
  542    HG   LEU  81           HG       LEU  81  -1.303  -2.844  -4.168
  543   HD11  LEU  81          1HD1      LEU  81  -1.116  -0.973  -1.991
  544   HD12  LEU  81          2HD1      LEU  81  -1.639  -2.555  -1.405
  545   HD13  LEU  81          3HD1      LEU  81  -0.140  -2.403  -2.329
  546   HD21  LEU  81          3HD2      LEU  81  -3.016  -4.073  -3.317
  547   HD22  LEU  81          1HD2      LEU  81  -3.571  -2.773  -2.260
  548   HD23  LEU  81          2HD2      LEU  81  -3.938  -2.725  -3.987
  549    H    VAL  82           H        VAL  82   0.533  -1.276  -6.619
  550    HA   VAL  82           HA       VAL  82   1.738   1.211  -5.610
  551    HB   VAL  82           HB       VAL  82   3.222  -1.353  -6.206
  552   HG11  VAL  82          1HG1      VAL  82   4.104   1.262  -5.777
  553   HG12  VAL  82          2HG1      VAL  82   4.410   0.409  -4.264
  554   HG13  VAL  82          3HG1      VAL  82   5.078  -0.208  -5.775
  555   HG21  VAL  82          3HG2      VAL  82   2.460  -2.213  -4.308
  556   HG22  VAL  82          1HG2      VAL  82   3.197  -0.871  -3.436
  557   HG23  VAL  82          2HG2      VAL  82   1.525  -0.753  -3.981
  558    H    ASP  83           H        ASP  83   2.792   2.494  -6.980
  559    HA   ASP  83           HA       ASP  83   3.368   1.501  -9.692
  560    HB2  ASP  83           2HB      ASP  83   1.342   3.111  -9.480
  561    HB3  ASP  83           1HB      ASP  83   2.556   4.358  -9.160
  562    H    HIS  84           H        HIS  84   5.090   2.927 -10.757
  563    HA   HIS  84           HA       HIS  84   7.057   3.563  -8.658
  564    HB2  HIS  84           2HB      HIS  84   7.310   1.696 -10.620
  565    HB3  HIS  84           1HB      HIS  84   8.072   3.090 -11.381
  566    HD1  HIS  84           1HD      HIS  84  10.014   4.259  -9.794
  567    HD2  HIS  84           2HD      HIS  84   8.945   0.325  -8.968
  568    HE1  HIS  84           1HE      HIS  84  11.845   3.354  -8.339
  569    HE2  HIS  84           2HE      HIS  84  11.303   0.899  -8.060
  570    H    THR  85           H        THR  85   8.015   5.488  -8.589
  571    HA   THR  85           HA       THR  85   7.568   7.349 -10.834
  572    HB   THR  85           HB       THR  85   7.937   9.110  -8.942
  573    HG1  THR  85           1HG      THR  85   6.812   7.023  -7.375
  574   HG21  THR  85          3HG2      THR  85   5.634   7.854 -10.048
  575   HG22  THR  85          1HG2      THR  85   5.801   9.500  -9.437
  576   HG23  THR  85          2HG2      THR  85   5.310   8.200  -8.348
  577    H    GLU  86           H        GLU  86   9.228   9.350 -10.198
  578    HA   GLU  86           HA       GLU  86  11.845   8.391 -10.702
  579    HB2  GLU  86           2HB      GLU  86  11.343  11.105  -9.522
  580    HB3  GLU  86           1HB      GLU  86  12.488  10.631 -10.767
  581    HG2  GLU  86           2HG      GLU  86  10.992  11.760 -12.044
  582    HG3  GLU  86           1HG      GLU  86  10.277  10.153 -12.127
  583    H    GLU  87           H        GLU  87  10.094   9.277  -7.813
  584    HA   GLU  87           HA       GLU  87  12.314   9.212  -6.038
  585    HB2  GLU  87           2HB      GLU  87   9.349   9.279  -5.762
  586    HB3  GLU  87           1HB      GLU  87  10.309   8.818  -4.363
  587    HG2  GLU  87           2HG      GLU  87  10.625  10.954  -3.922
  588    HG3  GLU  87           1HG      GLU  87  11.534  11.102  -5.427
  589    H    GLY  88           H        GLY  88   9.630   6.923  -6.609
  590    HA2  GLY  88           1HA      GLY  88  11.103   4.603  -6.687
  591    HA3  GLY  88           2HA      GLY  88  10.849   4.910  -4.974
  592    HA   PRO  89           HA       PRO  89   7.118   2.518  -6.218
  593    HB2  PRO  89           2HB      PRO  89   7.384   1.470  -3.496
  594    HB3  PRO  89           1HB      PRO  89   7.318   0.590  -5.025
  595    HG2  PRO  89           2HG      PRO  89   9.571   0.756  -3.545
  596    HG3  PRO  89           1HG      PRO  89   9.601   0.663  -5.314
  597    HD2  PRO  89           2HD      PRO  89   9.923   3.057  -3.538
  598    HD3  PRO  89           1HD      PRO  89  10.807   2.633  -5.022
  599    H    VAL  90           H        VAL  90   5.287   3.631  -5.991
  600    HA   VAL  90           HA       VAL  90   4.698   4.945  -3.424
  601    HB   VAL  90           HB       VAL  90   3.726   6.842  -4.925
  602   HG11  VAL  90          1HG1      VAL  90   5.327   7.729  -3.613
  603   HG12  VAL  90          2HG1      VAL  90   6.431   6.378  -3.880
  604   HG13  VAL  90          3HG1      VAL  90   6.311   7.669  -5.076
  605   HG21  VAL  90          3HG2      VAL  90   4.119   5.714  -7.067
  606   HG22  VAL  90          1HG2      VAL  90   4.998   7.242  -6.977
  607   HG23  VAL  90          2HG2      VAL  90   5.856   5.718  -6.750
  608    H    CYS  91           H        CYS  91   2.355   6.093  -3.886
  609    HA   CYS  91           HA       CYS  91   0.577   3.884  -4.081
  610    HB2  CYS  91           2HB      CYS  91   0.436   6.650  -3.244
  611    HB3  CYS  91           1HB      CYS  91  -0.964   6.220  -4.221
  612    H    LYS  92           H        LYS  92  -0.410   3.079  -5.783
  613    HA   LYS  92           HA       LYS  92   0.167   4.027  -8.381
  614    HB2  LYS  92           2HB      LYS  92  -0.129   1.689  -8.029
  615    HB3  LYS  92           1HB      LYS  92  -1.724   1.927  -7.335
  616    HG2  LYS  92           2HG      LYS  92  -2.050   1.079  -9.497
  617    HG3  LYS  92           1HG      LYS  92  -2.447   2.794  -9.585
  618    HD2  LYS  92           2HD      LYS  92  -0.624   3.273 -10.873
  619    HD3  LYS  92           1HD      LYS  92   0.338   1.971 -10.177
  620    HE2  LYS  92           2HE      LYS  92  -1.860   1.733 -12.219
  621    HE3  LYS  92           1HE      LYS  92  -0.143   1.407 -12.450
  622    HZ1  LYS  92           3HZ      LYS  92  -2.109  -0.396 -11.717
  623    HZ2  LYS  92           1HZ      LYS  92  -1.172  -0.157 -10.320
  624    HZ3  LYS  92           2HZ      LYS  92  -0.436  -0.662 -11.755
  625    H    ASN  93           H        ASN  93  -2.708   4.300  -6.321
  626    HA   ASN  93           HA       ASN  93  -3.818   6.179  -8.240
  627    HB2  ASN  93           2HB      ASN  93  -4.672   3.458  -8.113
  628    HB3  ASN  93           1HB      ASN  93  -5.989   4.492  -7.572
  629   HD21  ASN  93          1HD2      ASN  93  -4.537   3.129 -10.214
  630   HD22  ASN  93          2HD2      ASN  93  -5.171   4.157 -11.443
  631    H    ILE  94           H        ILE  94  -4.873   4.346  -5.340
  632    HA   ILE  94           HA       ILE  94  -6.075   6.855  -4.396
  633    HB   ILE  94           HB       ILE  94  -6.863   4.210  -3.256
  634   HG12  ILE  94          2HG1      ILE  94  -8.056   5.316  -5.807
  635   HG13  ILE  94          1HG1      ILE  94  -6.894   3.994  -5.767
  636   HG21  ILE  94          1HG2      ILE  94  -9.102   5.723  -3.617
  637   HG22  ILE  94          2HG2      ILE  94  -8.131   5.673  -2.147
  638   HG23  ILE  94          3HG2      ILE  94  -7.867   6.951  -3.334
  639   HD11  ILE  94          3HD1      ILE  94  -9.728   3.931  -5.398
  640   HD12  ILE  94          1HD1      ILE  94  -8.588   2.596  -5.560
  641   HD13  ILE  94          2HD1      ILE  94  -8.916   3.285  -3.972
  642    H    VAL  95           H        VAL  95  -5.151   7.808  -2.741
  643    HA   VAL  95           HA       VAL  95  -3.314   6.375  -1.021
  644    HB   VAL  95           HB       VAL  95  -2.432   8.472  -1.396
  645   HG11  VAL  95          1HG1      VAL  95  -4.637  10.264  -0.849
  646   HG12  VAL  95          2HG1      VAL  95  -3.555  10.192  -2.239
  647   HG13  VAL  95          3HG1      VAL  95  -4.988   9.164  -2.181
  648   HG21  VAL  95          3HG2      VAL  95  -3.876   8.369   1.175
  649   HG22  VAL  95          1HG2      VAL  95  -2.158   8.586   0.843
  650   HG23  VAL  95          2HG2      VAL  95  -3.266   9.949   0.691
  651    H    ALA  96           H        ALA  96  -3.798   5.566   0.917
  652    HA   ALA  96           HA       ALA  96  -6.086   6.491   2.423
  653    HB1  ALA  96           1HB      ALA  96  -7.221   4.990   0.939
  654    HB2  ALA  96           2HB      ALA  96  -6.009   3.734   1.196
  655    HB3  ALA  96           3HB      ALA  96  -7.095   4.197   2.509
  656    H    CYS  97           H        CYS  97  -6.075   5.697   4.589
  657    HA   CYS  97           HA       CYS  97  -3.525   4.444   5.344
  658    HB2  CYS  97           2HB      CYS  97  -5.447   5.771   7.257
  659    HB3  CYS  97           1HB      CYS  97  -3.737   5.426   7.488
  660    H    CYS  98           H        CYS  98  -3.684   2.356   5.510
  661    HA   CYS  98           HA       CYS  98  -6.197   1.184   6.496
  662    HB2  CYS  98           2HB      CYS  98  -5.910   0.807   4.090
  663    HB3  CYS  98           1HB      CYS  98  -4.325   0.103   4.384
  664    HA   PRO  99           HA       PRO  99  -3.342  -0.605   9.469
  665    HB2  PRO  99           2HB      PRO  99  -5.645  -1.505  10.918
  666    HB3  PRO  99           1HB      PRO  99  -4.550  -0.188  11.340
  667    HG2  PRO  99           2HG      PRO  99  -7.189   0.091  10.614
  668    HG3  PRO  99           1HG      PRO  99  -5.971   1.377  10.517
  669    HD2  PRO  99           2HD      PRO  99  -7.082  -0.360   8.360
  670    HD3  PRO  99           1HD      PRO  99  -6.565   1.338   8.287
  671    H    GLU 100           H        GLU 100  -2.778  -2.736   9.996
  672    HA   GLU 100           HA       GLU 100  -4.128  -4.843   8.522
  673    HB2  GLU 100           2HB      GLU 100  -1.489  -4.433   9.480
  674    HB3  GLU 100           1HB      GLU 100  -2.123  -5.855  10.294
  675    HG2  GLU 100           2HG      GLU 100  -1.796  -5.396   7.348
  676    HG3  GLU 100           1HG      GLU 100  -1.045  -6.637   8.352
  677    H    GLY 101           H        GLY 101  -6.036  -5.362   9.455
  678    HA2  GLY 101           1HA      GLY 101  -7.004  -6.840  11.136
  679    HA3  GLY 101           2HA      GLY 101  -5.934  -6.083  12.303
  680    H    THR 102           H        THR 102  -8.561  -5.216  10.057
  681    HA   THR 102           HA       THR 102  -9.766  -3.653  12.201
  682    HB   THR 102           HB       THR 102 -10.103  -1.956  10.042
  683    HG1  THR 102           1HG      THR 102  -8.219  -3.311   9.186
  684   HG21  THR 102          3HG2      THR 102  -7.901  -1.653  12.066
  685   HG22  THR 102          1HG2      THR 102  -9.605  -1.485  12.493
  686   HG23  THR 102          2HG2      THR 102  -8.877  -0.394  11.313
  687    H    THR 103           H        THR 103 -11.873  -2.569  11.182
  688    HA   THR 103           HA       THR 103 -13.413  -4.669   9.926
  689    HB   THR 103           HB       THR 103 -14.276  -1.831  10.494
  690    HG1  THR 103           1HG      THR 103 -15.074  -2.747  12.504
  691   HG21  THR 103          3HG2      THR 103 -16.227  -3.965  10.816
  692   HG22  THR 103          1HG2      THR 103 -15.568  -3.905   9.182
  693   HG23  THR 103          2HG2      THR 103 -16.333  -2.477   9.874
  694    H    ASN 104           H        ASN 104 -12.400  -1.365   9.155
  695    HA   ASN 104           HA       ASN 104 -11.981  -2.147   6.418
  696    HB2  ASN 104           2HB      ASN 104 -13.329  -0.245   5.503
  697    HB3  ASN 104           1HB      ASN 104 -14.288  -1.545   6.198
  698   HD21  ASN 104          1HD2      ASN 104 -15.901  -0.904   7.386
  699   HD22  ASN 104          2HD2      ASN 104 -15.996   0.577   8.270
  700    H    CYS 105           H        CYS 105 -10.940  -0.394   5.171
  701    HA   CYS 105           HA       CYS 105  -9.389   1.366   6.969
  702    HB2  CYS 105           2HB      CYS 105  -8.621   0.389   4.206
  703    HB3  CYS 105           1HB      CYS 105  -7.598   1.250   5.349
  704    H    VAL 106           H        VAL 106  -9.181   3.570   6.344
  705    HA   VAL 106           HA       VAL 106 -11.396   4.375   4.618
  706    HB   VAL 106           HB       VAL 106 -11.898   5.793   6.236
  707   HG11  VAL 106          1HG1      VAL 106  -9.891   4.266   7.462
  708   HG12  VAL 106          2HG1      VAL 106  -9.624   5.939   7.952
  709   HG13  VAL 106          3HG1      VAL 106 -11.191   5.177   8.226
  710   HG21  VAL 106          3HG2      VAL 106 -10.940   7.624   5.230
  711   HG22  VAL 106          1HG2      VAL 106 -10.167   7.660   6.813
  712   HG23  VAL 106          2HG2      VAL 106  -9.297   7.013   5.423
  713    H    ALA 107           H        ALA 107 -11.154   5.384   2.772
  714    HA   ALA 107           HA       ALA 107  -8.502   6.110   1.831
  715    HB1  ALA 107           1HB      ALA 107  -9.308   5.844  -0.247
  716    HB2  ALA 107           2HB      ALA 107 -10.660   5.040   0.551
  717    HB3  ALA 107           3HB      ALA 107 -10.785   6.742   0.106
  718    H    VAL 108           H        VAL 108  -7.770   8.164   1.648
  719    HA   VAL 108           HA       VAL 108  -9.535  10.212   2.814
  720    HB   VAL 108           HB       VAL 108  -7.134  11.328   3.149
  721   HG11  VAL 108          1HG1      VAL 108  -8.989  10.545   4.795
  722   HG12  VAL 108          2HG1      VAL 108  -7.905   9.185   5.083
  723   HG13  VAL 108          3HG1      VAL 108  -7.358  10.834   5.390
  724   HG21  VAL 108          3HG2      VAL 108  -5.733   9.264   4.024
  725   HG22  VAL 108          1HG2      VAL 108  -6.630   8.426   2.758
  726   HG23  VAL 108          2HG2      VAL 108  -5.622   9.814   2.354
  727    H    ASP 109           H        ASP 109  -9.232   9.487  -0.081
  728    HA   ASP 109           HA       ASP 109  -7.853  11.724  -1.236
  729    HB2  ASP 109           2HB      ASP 109  -8.480  10.854  -3.371
  730    HB3  ASP 109           1HB      ASP 109  -8.052   9.483  -2.357
  731    H    ASN 110           H        ASN 110 -11.272  10.743  -1.145
  732    HA   ASN 110           HA       ASN 110 -13.193  11.909  -0.970
  733    HB2  ASN 110           2HB      ASN 110 -11.253  13.858   0.100
  734    HB3  ASN 110           1HB      ASN 110 -12.803  14.515  -0.420
  735   HD21  ASN 110          1HD2      ASN 110 -11.155  12.537   1.874
  736   HD22  ASN 110          2HD2      ASN 110 -12.489  12.290   2.944
  737    H    ALA 111           H        ALA 111 -10.804  13.912  -2.565
  738    HA   ALA 111           HA       ALA 111 -12.635  14.218  -4.841
  739    HB1  ALA 111           1HB      ALA 111 -11.194  16.515  -4.971
  740    HB2  ALA 111           2HB      ALA 111 -12.791  16.383  -4.236
  741    HB3  ALA 111           3HB      ALA 111 -11.346  16.310  -3.225
  742    H    GLY 112           H        GLY 112  -9.299  15.124  -4.021
  743    HA2  GLY 112           1HA      GLY 112  -7.953  13.188  -5.468
  744    HA3  GLY 112           2HA      GLY 112  -8.321  14.469  -6.613
  745    H    ALA 113           H        ALA 113  -6.527  13.613  -3.743
  746    HA   ALA 113           HA       ALA 113  -5.236  16.178  -3.535
  747    HB1  ALA 113           1HB      ALA 113  -3.693  14.516  -2.042
  748    HB2  ALA 113           2HB      ALA 113  -5.146  15.324  -1.455
  749    HB3  ALA 113           3HB      ALA 113  -5.234  13.660  -2.027
  750    H    GLY 114           H        GLY 114  -3.546  13.103  -3.646
  751    HA2  GLY 114           1HA      GLY 114  -2.391  13.534  -6.228
  752    HA3  GLY 114           2HA      GLY 114  -1.274  13.913  -4.922
  753    H    THR 115           H        THR 115  -0.189  12.094  -6.201
  754    HA   THR 115           HA       THR 115  -1.018   9.510  -5.056
  755    HB   THR 115           HB       THR 115   0.756   8.733  -6.892
  756    HG1  THR 115           1HG      THR 115  -0.312  11.192  -7.877
  757   HG21  THR 115          3HG2      THR 115  -1.030   7.851  -7.959
  758   HG22  THR 115          1HG2      THR 115  -1.826   9.418  -8.129
  759   HG23  THR 115          2HG2      THR 115  -1.930   8.537  -6.606
  760    H    LYS 116           H        LYS 116   1.245  11.982  -4.890
  761    HA   LYS 116           HA       LYS 116   2.877  11.169  -2.915
  762    HB2  LYS 116           2HB      LYS 116   4.858  10.176  -3.856
  763    HB3  LYS 116           1HB      LYS 116   3.481   9.195  -4.332
  764    HG2  LYS 116           2HG      LYS 116   4.161   9.345  -6.431
  765    HG3  LYS 116           1HG      LYS 116   3.828  11.079  -6.379
  766    HD2  LYS 116           2HD      LYS 116   6.305  10.693  -5.078
  767    HD3  LYS 116           1HD      LYS 116   6.357   9.717  -6.550
  768    HE2  LYS 116           2HE      LYS 116   6.850  11.591  -7.654
  769    HE3  LYS 116           1HE      LYS 116   5.195  12.114  -7.348
  770    HZ1  LYS 116           3HZ      LYS 116   6.650  13.820  -6.606
  771    HZ2  LYS 116           1HZ      LYS 116   7.607  12.728  -5.726
  772    HZ3  LYS 116           2HZ      LYS 116   6.024  13.072  -5.216
  773    H    ALA 117           H        ALA 117   1.962  13.245  -5.170
  774    HA   ALA 117           HA       ALA 117   4.393  14.889  -4.996
  775    HB1  ALA 117           1HB      ALA 117   3.537  13.877  -7.319
  776    HB2  ALA 117           2HB      ALA 117   2.560  15.345  -7.272
  777    HB3  ALA 117           3HB      ALA 117   4.318  15.452  -7.189
  778    H    GLU 118           H        GLU 118   3.450  15.712  -3.061
  779    HA   GLU 118           HA       GLU 118   1.406  17.744  -3.580
  780    HB2  GLU 118           2HB      GLU 118   1.474  15.778  -1.288
  781    HB3  GLU 118           1HB      GLU 118   0.510  17.247  -1.257
  782    HG2  GLU 118           2HG      GLU 118  -1.117  16.034  -2.152
  783    HG3  GLU 118           1HG      GLU 118  -0.191  16.080  -3.650
  Start of MODEL   10
    1    H1   SER   1           1H       SER   1   9.041  11.307  17.371
    2    H2   SER   1           2H       SER   1   7.370  11.092  17.179
    3    H3   SER   1           3H       SER   1   8.443  10.438  16.043
    4    HA   SER   1           HA       SER   1   7.751   9.505  18.719
    5    HB2  SER   1           2HB      SER   1   8.580   7.478  16.901
    6    HB3  SER   1           1HB      SER   1   6.940   7.832  17.452
    7    HG   SER   1           HG       SER   1   8.192   8.447  15.064
    8    H    LEU   2           H        LEU   2   9.183   7.744  19.592
    9    HA   LEU   2           HA       LEU   2  12.024   8.321  19.055
   10    HB2  LEU   2           2HB      LEU   2  10.527   8.208  21.528
   11    HB3  LEU   2           1HB      LEU   2  11.826   7.033  21.540
   12    HG   LEU   2           HG       LEU   2  12.357   9.888  20.789
   13   HD11  LEU   2          1HD1      LEU   2  12.465  10.621  22.935
   14   HD12  LEU   2          2HD1      LEU   2  11.155   9.451  23.108
   15   HD13  LEU   2          3HD1      LEU   2  12.794   9.015  23.588
   16   HD21  LEU   2          3HD2      LEU   2  14.136   7.917  22.191
   17   HD22  LEU   2          1HD2      LEU   2  14.018   7.999  20.433
   18   HD23  LEU   2          2HD2      LEU   2  14.586   9.398  21.345
   19    HA   PRO   3           HA       PRO   3  11.866   4.109  17.552
   20    HB2  PRO   3           2HB      PRO   3  14.751   4.443  17.125
   21    HB3  PRO   3           1HB      PRO   3  13.465   4.198  15.941
   22    HG2  PRO   3           2HG      PRO   3  14.748   6.553  16.178
   23    HG3  PRO   3           1HG      PRO   3  13.032   6.456  15.741
   24    HD2  PRO   3           2HD      PRO   3  14.278   7.069  18.400
   25    HD3  PRO   3           1HD      PRO   3  12.904   7.855  17.591
   26    H    ALA   4           H        ALA   4  11.689   3.892  20.127
   27    HA   ALA   4           HA       ALA   4  14.068   2.550  21.176
   28    HB1  ALA   4           1HB      ALA   4  12.967   2.584  23.315
   29    HB2  ALA   4           2HB      ALA   4  12.839   4.187  22.591
   30    HB3  ALA   4           3HB      ALA   4  11.452   3.099  22.574
   31    H    SER   5           H        SER   5  11.255   1.833  19.508
   32    HA   SER   5           HA       SER   5  11.700  -1.004  19.782
   33    HB2  SER   5           2HB      SER   5   9.097   0.271  20.658
   34    HB3  SER   5           1HB      SER   5   9.283  -1.452  20.325
   35    HG   SER   5           HG       SER   5  11.211  -0.500  21.998
   36    H    ALA   6           H        ALA   6  10.676  -2.222  18.133
   37    HA   ALA   6           HA       ALA   6   9.993  -2.651  16.018
   38    HB1  ALA   6           1HB      ALA   6   8.260  -0.251  16.562
   39    HB2  ALA   6           2HB      ALA   6   8.087  -1.293  15.151
   40    HB3  ALA   6           3HB      ALA   6   7.838  -1.950  16.770
   41    H    ALA   7           H        ALA   7  12.315  -0.834  16.456
   42    HA   ALA   7           HA       ALA   7  12.196   0.943  14.147
   43    HB1  ALA   7           1HB      ALA   7  14.686   0.557  15.733
   44    HB2  ALA   7           2HB      ALA   7  14.037   2.018  14.989
   45    HB3  ALA   7           3HB      ALA   7  13.325   1.395  16.478
   46    H    LYS   8           H        LYS   8  11.885  -1.101  12.823
   47    HA   LYS   8           HA       LYS   8  14.503  -1.944  11.807
   48    HB2  LYS   8           2HB      LYS   8  12.499  -3.659  13.101
   49    HB3  LYS   8           1HB      LYS   8  13.011  -4.240  11.523
   50    HG2  LYS   8           2HG      LYS   8  15.364  -4.099  12.300
   51    HG3  LYS   8           1HG      LYS   8  14.761  -3.682  13.905
   52    HD2  LYS   8           2HD      LYS   8  13.636  -5.797  14.097
   53    HD3  LYS   8           1HD      LYS   8  14.016  -6.203  12.422
   54    HE2  LYS   8           2HE      LYS   8  16.191  -5.636  14.406
   55    HE3  LYS   8           1HE      LYS   8  15.445  -7.230  14.312
   56    HZ1  LYS   8           3HZ      LYS   8  17.551  -6.668  12.912
   57    HZ2  LYS   8           1HZ      LYS   8  16.432  -5.975  11.844
   58    HZ3  LYS   8           2HZ      LYS   8  16.314  -7.619  12.243
   59    H    ASN   9           H        ASN   9  14.583  -2.057   9.633
   60    HA   ASN   9           HA       ASN   9  13.979  -2.222   7.446
   61    HB2  ASN   9           2HB      ASN   9  12.327  -3.702   7.174
   62    HB3  ASN   9           1HB      ASN   9  11.674  -3.334   8.761
   63   HD21  ASN   9          1HD2      ASN   9   9.961  -1.934   8.950
   64   HD22  ASN   9          2HD2      ASN   9   9.024  -1.419   7.591
   65    H    ALA  10           H        ALA  10  12.002  -0.210   9.515
   66    HA   ALA  10           HA       ALA  10  11.549   2.003   9.483
   67    HB1  ALA  10           1HB      ALA  10  13.374   3.063   8.797
   68    HB2  ALA  10           2HB      ALA  10  13.745   1.818   7.603
   69    HB3  ALA  10           3HB      ALA  10  12.628   3.123   7.200
   70    H    LYS  11           H        LYS  11  11.700   1.660   5.954
   71    HA   LYS  11           HA       LYS  11   8.809   1.770   5.793
   72    HB2  LYS  11           2HB      LYS  11  10.609   4.057   5.165
   73    HB3  LYS  11           1HB      LYS  11   9.188   3.804   4.157
   74    HG2  LYS  11           2HG      LYS  11   7.728   4.055   6.008
   75    HG3  LYS  11           1HG      LYS  11   9.074   3.986   7.150
   76    HD2  LYS  11           2HD      LYS  11   8.959   6.126   5.057
   77    HD3  LYS  11           1HD      LYS  11   8.028   6.284   6.549
   78    HE2  LYS  11           2HE      LYS  11  10.736   5.461   7.102
   79    HE3  LYS  11           1HE      LYS  11  10.712   6.944   6.151
   80    HZ1  LYS  11           3HZ      LYS  11  10.191   8.060   7.972
   81    HZ2  LYS  11           1HZ      LYS  11  10.207   6.628   8.885
   82    HZ3  LYS  11           2HZ      LYS  11   8.769   7.157   8.156
   83    H    LEU  12           H        LEU  12   8.925   2.870   3.096
   84    HA   LEU  12           HA       LEU  12   9.177   0.363   1.725
   85    HB2  LEU  12           2HB      LEU  12   8.399   3.122   0.795
   86    HB3  LEU  12           1HB      LEU  12   8.386   1.710  -0.241
   87    HG   LEU  12           HG       LEU  12   6.734   0.693   1.450
   88   HD11  LEU  12          1HD1      LEU  12   5.673   2.017   2.996
   89   HD12  LEU  12          2HD1      LEU  12   7.304   2.684   3.068
   90   HD13  LEU  12          3HD1      LEU  12   6.053   3.514   2.141
   91   HD21  LEU  12          3HD2      LEU  12   4.859   1.740   0.353
   92   HD22  LEU  12          1HD2      LEU  12   5.861   3.114  -0.123
   93   HD23  LEU  12          2HD2      LEU  12   6.165   1.519  -0.815
   94    H    ALA  13           H        ALA  13  11.629   0.836   2.568
   95    HA   ALA  13           HA       ALA  13  13.812   0.873   1.950
   96    HB1  ALA  13           1HB      ALA  13  13.250  -0.338  -0.031
   97    HB2  ALA  13           2HB      ALA  13  12.695   1.130  -0.837
   98    HB3  ALA  13           3HB      ALA  13  14.407   0.920  -0.465
   99    H    THR  14           H        THR  14  11.762   3.389   0.724
  100    HA   THR  14           HA       THR  14  13.611   5.428   1.597
  101    HB   THR  14           HB       THR  14  12.761   6.177  -1.062
  102    HG1  THR  14           1HG      THR  14  14.586   3.997  -1.014
  103   HG21  THR  14          3HG2      THR  14  14.871   6.650   0.678
  104   HG22  THR  14          1HG2      THR  14  14.689   7.301  -0.954
  105   HG23  THR  14          2HG2      THR  14  15.612   5.820  -0.689
  106    H    SER  15           H        SER  15  10.784   4.902  -0.486
  107    HA   SER  15           HA       SER  15   8.788   5.969  -0.677
  108    HB2  SER  15           2HB      SER  15   8.071   6.481   1.995
  109    HB3  SER  15           1HB      SER  15   7.653   5.069   1.030
  110    HG   SER  15           HG       SER  15  10.044   5.333   2.540
  111    H    ALA  16           H        ALA  16  10.698   7.792  -1.180
  112    HA   ALA  16           HA       ALA  16  10.967   9.944   0.596
  113    HB1  ALA  16           1HB      ALA  16  11.647   9.394  -2.199
  114    HB2  ALA  16           2HB      ALA  16  11.403  11.101  -1.826
  115    HB3  ALA  16           3HB      ALA  16  12.596  10.164  -0.928
  116    H    ALA  17           H        ALA  17   9.082   9.900  -2.432
  117    HA   ALA  17           HA       ALA  17   7.660  12.270  -1.683
  118    HB1  ALA  17           1HB      ALA  17   6.961  12.319  -3.821
  119    HB2  ALA  17           2HB      ALA  17   8.213  11.100  -4.060
  120    HB3  ALA  17           3HB      ALA  17   6.534  10.608  -3.828
  121    H    PHE  18           H        PHE  18   7.179   8.867  -1.325
  122    HA   PHE  18           HA       PHE  18   4.387   8.843  -0.938
  123    HB2  PHE  18           2HB      PHE  18   5.766   6.810  -1.345
  124    HB3  PHE  18           1HB      PHE  18   6.442   6.977   0.271
  125    HD1  PHE  18           1HD      PHE  18   3.137   6.737  -1.439
  126    HD2  PHE  18           2HD      PHE  18   5.482   5.794   1.987
  127    HE1  PHE  18           1HE      PHE  18   1.278   5.404  -0.541
  128    HE2  PHE  18           2HE      PHE  18   3.624   4.458   2.894
  129    HZ   PHE  18           HZ       PHE  18   1.519   4.260   1.625
  130    H    ALA  19           H        ALA  19   7.107   9.355   1.237
  131    HA   ALA  19           HA       ALA  19   5.598   9.445   3.633
  132    HB1  ALA  19           1HB      ALA  19   7.686  10.812   4.394
  133    HB2  ALA  19           2HB      ALA  19   7.824   9.091   4.028
  134    HB3  ALA  19           3HB      ALA  19   8.342  10.287   2.841
  135    H    LYS  20           H        LYS  20   6.020  11.723   1.082
  136    HA   LYS  20           HA       LYS  20   5.441  14.078   2.615
  137    HB2  LYS  20           2HB      LYS  20   5.889  13.403  -0.203
  138    HB3  LYS  20           1HB      LYS  20   4.655  14.636   0.021
  139    HG2  LYS  20           2HG      LYS  20   6.340  16.090   0.076
  140    HG3  LYS  20           1HG      LYS  20   6.665  15.473   1.698
  141    HD2  LYS  20           2HD      LYS  20   7.934  13.626   0.168
  142    HD3  LYS  20           1HD      LYS  20   8.143  15.079  -0.813
  143    HE2  LYS  20           2HE      LYS  20   8.641  15.480   2.047
  144    HE3  LYS  20           1HE      LYS  20   9.744  14.340   1.278
  145    HZ1  LYS  20           3HZ      LYS  20   9.550  16.458  -0.464
  146    HZ2  LYS  20           1HZ      LYS  20  10.859  16.099   0.552
  147    HZ3  LYS  20           2HZ      LYS  20   9.654  17.174   1.070
  148    H    GLN  21           H        GLN  21   3.693  11.604   0.960
  149    HA   GLN  21           HA       GLN  21   1.118  12.815   1.056
  150    HB2  GLN  21           2HB      GLN  21   2.238  10.577  -0.125
  151    HB3  GLN  21           1HB      GLN  21   1.156   9.898   1.082
  152    HG2  GLN  21           2HG      GLN  21  -0.723  10.897   0.120
  153    HG3  GLN  21           1HG      GLN  21   0.254  12.028  -0.814
  154   HE21  GLN  21          1HE2      GLN  21  -0.181   8.535  -0.416
  155   HE22  GLN  21          2HE2      GLN  21  -0.089   8.160  -2.096
  156    H    ALA  22           H        ALA  22   3.094  11.032   3.256
  157    HA   ALA  22           HA       ALA  22   1.009  10.228   5.051
  158    HB1  ALA  22           1HB      ALA  22   3.197   9.053   4.858
  159    HB2  ALA  22           2HB      ALA  22   3.966  10.449   5.614
  160    HB3  ALA  22           3HB      ALA  22   2.777   9.505   6.510
  161    H    GLU  23           H        GLU  23   2.353  13.192   4.352
  162    HA   GLU  23           HA       GLU  23   2.217  14.298   7.003
  163    HB2  GLU  23           2HB      GLU  23   2.683  15.415   4.258
  164    HB3  GLU  23           1HB      GLU  23   2.322  16.499   5.596
  165    HG2  GLU  23           2HG      GLU  23   4.466  14.476   5.949
  166    HG3  GLU  23           1HG      GLU  23   4.792  15.891   4.948
  167    H    GLY  24           H        GLY  24   0.073  13.690   4.407
  168    HA2  GLY  24           1HA      GLY  24  -1.902  15.640   5.201
  169    HA3  GLY  24           2HA      GLY  24  -2.104  14.379   3.991
  170    H    THR  25           H        THR  25  -1.154  12.329   5.921
  171    HA   THR  25           HA       THR  25  -3.345  12.276   7.854
  172    HB   THR  25           HB       THR  25  -2.945   9.681   6.553
  173    HG1  THR  25           1HG      THR  25  -3.504  11.932   5.053
  174   HG21  THR  25          3HG2      THR  25  -4.724   9.778   8.047
  175   HG22  THR  25          1HG2      THR  25  -5.528   9.953   6.486
  176   HG23  THR  25          2HG2      THR  25  -5.234  11.372   7.493
  177    H    THR  26           H        THR  26  -2.319  12.034   9.729
  178    HA   THR  26           HA       THR  26   0.168  10.700  10.040
  179    HB   THR  26           HB       THR  26  -1.905  11.690  11.990
  180    HG1  THR  26           1HG      THR  26  -0.340  13.145  11.009
  181   HG21  THR  26          3HG2      THR  26  -0.609  10.959  13.860
  182   HG22  THR  26          1HG2      THR  26   0.666  10.340  12.810
  183   HG23  THR  26          2HG2      THR  26  -0.908   9.543  12.853
  184    H    CYS  27           H        CYS  27   0.425   8.598   9.765
  185    HA   CYS  27           HA       CYS  27  -1.307   6.756  11.182
  186    HB2  CYS  27           2HB      CYS  27  -1.472   7.139   8.325
  187    HB3  CYS  27           1HB      CYS  27  -0.906   5.510   8.680
  188    H    ASN  28           H        ASN  28  -0.371   4.543  11.153
  189    HA   ASN  28           HA       ASN  28   2.488   4.771  11.638
  190    HB2  ASN  28           2HB      ASN  28   0.663   3.628  13.150
  191    HB3  ASN  28           1HB      ASN  28   0.899   2.260  12.068
  192   HD21  ASN  28          1HD2      ASN  28   1.423   1.937  14.679
  193   HD22  ASN  28          2HD2      ASN  28   3.130   1.822  14.962
  194    H    VAL  29           H        VAL  29   3.829   2.748  10.979
  195    HA   VAL  29           HA       VAL  29   3.735   2.469   8.170
  196    HB   VAL  29           HB       VAL  29   5.362   0.571   8.517
  197   HG11  VAL  29          1HG1      VAL  29   6.365   2.601   8.051
  198   HG12  VAL  29          2HG1      VAL  29   5.800   3.343   9.550
  199   HG13  VAL  29          3HG1      VAL  29   7.105   2.157   9.589
  200   HG21  VAL  29          3HG2      VAL  29   6.240   0.111  10.671
  201   HG22  VAL  29          1HG2      VAL  29   5.310   1.420  11.403
  202   HG23  VAL  29          2HG2      VAL  29   4.486  -0.018  10.799
  203    H    GLY  30           H        GLY  30   2.531   0.450  10.792
  204    HA2  GLY  30           1HA      GLY  30   1.419  -1.469   8.893
  205    HA3  GLY  30           2HA      GLY  30   1.373  -1.596  10.648
  206    H    SER  31           H        SER  31   0.527   1.386   9.146
  207    HA   SER  31           HA       SER  31  -2.322   0.766   9.171
  208    HB2  SER  31           2HB      SER  31  -1.384   3.309  10.466
  209    HB3  SER  31           1HB      SER  31  -2.940   2.493  10.623
  210    HG   SER  31           HG       SER  31  -1.304   0.741  11.496
  211    H    ILE  32           H        ILE  32   0.349   2.225   7.767
  212    HA   ILE  32           HA       ILE  32  -1.263   4.077   6.207
  213    HB   ILE  32           HB       ILE  32   1.475   4.065   7.027
  214   HG12  ILE  32          2HG1      ILE  32   0.123   6.072   5.257
  215   HG13  ILE  32          1HG1      ILE  32  -0.329   5.867   6.936
  216   HG21  ILE  32          1HG2      ILE  32   1.793   4.944   4.335
  217   HG22  ILE  32          2HG2      ILE  32   2.717   3.732   5.217
  218   HG23  ILE  32          3HG2      ILE  32   1.269   3.262   4.322
  219   HD11  ILE  32          3HD1      ILE  32   1.540   7.599   6.048
  220   HD12  ILE  32          1HD1      ILE  32   1.496   6.933   7.681
  221   HD13  ILE  32          2HD1      ILE  32   2.541   6.207   6.461
  222    H    ALA  33           H        ALA  33  -1.737   3.771   4.073
  223    HA   ALA  33           HA       ALA  33  -0.741   1.365   2.801
  224    HB1  ALA  33           1HB      ALA  33  -2.608   0.100   2.893
  225    HB2  ALA  33           2HB      ALA  33  -2.886   1.035   4.362
  226    HB3  ALA  33           3HB      ALA  33  -3.686   1.497   2.860
  227    H    CYS  34           H        CYS  34  -1.583   1.045   0.637
  228    HA   CYS  34           HA       CYS  34  -2.621   3.500  -0.609
  229    HB2  CYS  34           2HB      CYS  34  -0.153   2.798  -1.112
  230    HB3  CYS  34           1HB      CYS  34  -0.897   1.559  -2.116
  231    H    CYS  35           H        CYS  35  -4.198   3.205  -2.193
  232    HA   CYS  35           HA       CYS  35  -5.185   0.444  -2.458
  233    HB2  CYS  35           2HB      CYS  35  -6.487   2.467  -1.115
  234    HB3  CYS  35           1HB      CYS  35  -7.215   2.531  -2.712
  235    H    ASN  36           H        ASN  36  -6.341  -0.010  -4.389
  236    HA   ASN  36           HA       ASN  36  -5.954   1.909  -6.573
  237    HB2  ASN  36           2HB      ASN  36  -4.312  -0.261  -6.298
  238    HB3  ASN  36           1HB      ASN  36  -5.591  -0.927  -7.308
  239   HD21  ASN  36          1HD2      ASN  36  -5.816  -0.223  -9.396
  240   HD22  ASN  36          2HD2      ASN  36  -4.653   0.783 -10.184
  241    H    SER  37           H        SER  37  -7.363   1.472  -8.422
  242    HA   SER  37           HA       SER  37 -10.007   1.006  -7.731
  243    HB2  SER  37           2HB      SER  37  -9.278   0.427 -10.530
  244    HB3  SER  37           1HB      SER  37 -10.424   1.598  -9.881
  245    HG   SER  37           HG       SER  37  -7.975   2.049 -10.788
  246    HA   PRO  38           HA       PRO  38 -10.584  -3.288  -7.140
  247    HB2  PRO  38           2HB      PRO  38 -12.977  -2.975  -8.897
  248    HB3  PRO  38           1HB      PRO  38 -12.847  -3.681  -7.282
  249    HG2  PRO  38           2HG      PRO  38 -13.875  -1.256  -7.580
  250    HG3  PRO  38           1HG      PRO  38 -12.776  -1.606  -6.230
  251    HD2  PRO  38           2HD      PRO  38 -12.247  -0.125  -8.773
  252    HD3  PRO  38           1HD      PRO  38 -11.637   0.189  -7.136
  253    H    ALA  39           H        ALA  39 -10.903  -2.130 -10.471
  254    HA   ALA  39           HA       ALA  39 -10.813  -4.678 -11.713
  255    HB1  ALA  39           1HB      ALA  39 -10.174  -1.927 -12.755
  256    HB2  ALA  39           2HB      ALA  39 -10.226  -3.374 -13.762
  257    HB3  ALA  39           3HB      ALA  39 -11.681  -2.826 -12.932
  258    H    GLU  40           H        GLU  40  -8.464  -3.075 -10.004
  259    HA   GLU  40           HA       GLU  40  -6.285  -4.385 -11.497
  260    HB2  GLU  40           2HB      GLU  40  -6.397  -1.827  -9.940
  261    HB3  GLU  40           1HB      GLU  40  -4.871  -2.694 -10.075
  262    HG2  GLU  40           2HG      GLU  40  -5.947  -2.564 -12.670
  263    HG3  GLU  40           1HG      GLU  40  -6.151  -0.964 -11.961
  264    H    THR  41           H        THR  41  -7.585  -3.653  -8.289
  265    HA   THR  41           HA       THR  41  -5.780  -5.223  -6.797
  266    HB   THR  41           HB       THR  41  -8.452  -5.243  -5.693
  267    HG1  THR  41           1HG      THR  41  -7.860  -2.625  -5.759
  268   HG21  THR  41          3HG2      THR  41  -6.078  -5.226  -4.632
  269   HG22  THR  41          1HG2      THR  41  -7.402  -4.384  -3.827
  270   HG23  THR  41          2HG2      THR  41  -6.230  -3.474  -4.781
  271    H    ASN  42           H        ASN  42  -8.670  -5.945  -8.588
  272    HA   ASN  42           HA       ASN  42  -8.658  -8.715  -7.631
  273    HB2  ASN  42           2HB      ASN  42 -10.727  -6.889  -8.762
  274    HB3  ASN  42           1HB      ASN  42 -10.893  -8.611  -9.052
  275   HD21  ASN  42          1HD2      ASN  42 -10.002  -6.502  -6.344
  276   HD22  ASN  42          2HD2      ASN  42 -11.035  -7.266  -5.182
  277    H    ASN  43           H        ASN  43  -6.978  -7.262  -9.760
  278    HA   ASN  43           HA       ASN  43  -7.718  -8.272 -12.309
  279    HB2  ASN  43           2HB      ASN  43  -6.019  -6.364 -11.609
  280    HB3  ASN  43           1HB      ASN  43  -4.856  -7.686 -11.662
  281   HD21  ASN  43          1HD2      ASN  43  -6.660  -5.442 -13.440
  282   HD22  ASN  43          2HD2      ASN  43  -6.181  -5.947 -15.028
  283    H    ASP  44           H        ASP  44  -5.865  -9.543  -9.661
  284    HA   ASP  44           HA       ASP  44  -5.397 -11.986 -11.236
  285    HB2  ASP  44           2HB      ASP  44  -3.370 -10.688 -10.274
  286    HB3  ASP  44           1HB      ASP  44  -3.901 -11.297  -8.705
  287    H    SER  45           H        SER  45  -6.114 -13.905 -10.426
  288    HA   SER  45           HA       SER  45  -8.175 -13.907  -8.494
  289    HB2  SER  45           2HB      SER  45  -7.104 -16.536  -8.893
  290    HB3  SER  45           1HB      SER  45  -8.603 -15.848  -9.521
  291    HG   SER  45           HG       SER  45  -7.648 -15.986 -11.387
  292    H    LEU  46           H        LEU  46  -4.747 -14.388  -8.346
  293    HA   LEU  46           HA       LEU  46  -4.825 -15.484  -5.657
  294    HB2  LEU  46           2HB      LEU  46  -2.813 -15.111  -7.757
  295    HB3  LEU  46           1HB      LEU  46  -2.206 -14.749  -6.151
  296    HG   LEU  46           HG       LEU  46  -1.677 -17.016  -6.563
  297   HD11  LEU  46          1HD1      LEU  46  -2.336 -16.929  -4.354
  298   HD12  LEU  46          2HD1      LEU  46  -4.029 -16.645  -4.759
  299   HD13  LEU  46          3HD1      LEU  46  -3.321 -18.244  -4.992
  300   HD21  LEU  46          3HD2      LEU  46  -4.247 -18.212  -6.968
  301   HD22  LEU  46          1HD2      LEU  46  -3.959 -16.973  -8.191
  302   HD23  LEU  46          2HD2      LEU  46  -2.803 -18.288  -7.979
  303    H    LEU  47           H        LEU  47  -4.638 -12.433  -7.205
  304    HA   LEU  47           HA       LEU  47  -3.222 -10.937  -5.297
  305    HB2  LEU  47           2HB      LEU  47  -4.398 -10.444  -7.738
  306    HB3  LEU  47           1HB      LEU  47  -5.385  -9.499  -6.640
  307    HG   LEU  47           HG       LEU  47  -3.536  -8.208  -7.664
  308   HD11  LEU  47          1HD1      LEU  47  -3.590  -6.918  -5.857
  309   HD12  LEU  47          2HD1      LEU  47  -4.351  -8.250  -4.986
  310   HD13  LEU  47          3HD1      LEU  47  -2.597  -8.061  -4.952
  311   HD21  LEU  47          3HD2      LEU  47  -1.953 -10.212  -7.630
  312   HD22  LEU  47          1HD2      LEU  47  -1.274  -8.637  -7.217
  313   HD23  LEU  47          2HD2      LEU  47  -1.656  -9.794  -5.942
  314    H    SER  48           H        SER  48  -6.663 -11.680  -5.621
  315    HA   SER  48           HA       SER  48  -7.565  -9.878  -3.657
  316    HB2  SER  48           2HB      SER  48  -9.459 -11.873  -3.758
  317    HB3  SER  48           1HB      SER  48  -9.372 -10.478  -4.839
  318    HG   SER  48           HG       SER  48  -9.210 -12.984  -5.530
  319    H    GLY  49           H        GLY  49  -6.291 -13.124  -3.444
  320    HA2  GLY  49           1HA      GLY  49  -6.948 -13.304  -0.598
  321    HA3  GLY  49           2HA      GLY  49  -6.148 -14.539  -1.558
  322    H    LEU  50           H        LEU  50  -4.386 -12.349  -2.656
  323    HA   LEU  50           HA       LEU  50  -2.218 -12.660  -0.849
  324    HB2  LEU  50           2HB      LEU  50  -2.567 -11.942  -3.521
  325    HB3  LEU  50           1HB      LEU  50  -1.914 -10.498  -2.776
  326    HG   LEU  50           HG       LEU  50  -0.046 -11.956  -1.868
  327   HD11  LEU  50          1HD1      LEU  50  -1.131 -14.118  -2.107
  328   HD12  LEU  50          2HD1      LEU  50  -1.212 -13.904  -3.855
  329   HD13  LEU  50          3HD1      LEU  50   0.352 -14.068  -3.058
  330   HD21  LEU  50          3HD2      LEU  50  -0.268 -11.808  -4.873
  331   HD22  LEU  50          1HD2      LEU  50   0.141 -10.442  -3.833
  332   HD23  LEU  50          2HD2      LEU  50   1.209 -11.842  -3.909
  333    H    LEU  51           H        LEU  51  -4.525 -10.088  -1.514
  334    HA   LEU  51           HA       LEU  51  -3.150  -8.117   0.035
  335    HB2  LEU  51           2HB      LEU  51  -5.340  -6.862  -0.151
  336    HB3  LEU  51           1HB      LEU  51  -4.535  -7.259  -1.654
  337    HG   LEU  51           HG       LEU  51  -6.199  -9.383  -1.437
  338   HD11  LEU  51          1HD1      LEU  51  -7.127  -7.643   0.545
  339   HD12  LEU  51          2HD1      LEU  51  -8.237  -7.443  -0.812
  340   HD13  LEU  51          3HD1      LEU  51  -7.961  -9.044  -0.124
  341   HD21  LEU  51          3HD2      LEU  51  -7.221  -8.508  -3.287
  342   HD22  LEU  51          1HD2      LEU  51  -7.340  -6.890  -2.593
  343   HD23  LEU  51          2HD2      LEU  51  -5.797  -7.469  -3.223
  344    H    GLY  52           H        GLY  52  -5.389 -10.633   0.774
  345    HA2  GLY  52           1HA      GLY  52  -6.154  -9.416   3.313
  346    HA3  GLY  52           2HA      GLY  52  -6.813 -10.897   2.625
  347    H    ALA  53           H        ALA  53  -3.604  -9.690   3.603
  348    HA   ALA  53           HA       ALA  53  -2.778 -12.342   4.352
  349    HB1  ALA  53           1HB      ALA  53  -0.740 -10.874   5.224
  350    HB2  ALA  53           2HB      ALA  53  -0.970 -11.244   3.515
  351    HB3  ALA  53           3HB      ALA  53  -1.479  -9.682   4.155
  352    H    GLY  54           H        GLY  54  -4.816 -12.138   5.898
  353    HA2  GLY  54           1HA      GLY  54  -4.640 -12.910   8.254
  354    HA3  GLY  54           2HA      GLY  54  -3.701 -11.455   8.552
  355    H    LEU  55           H        LEU  55  -6.888 -12.465   7.318
  356    HA   LEU  55           HA       LEU  55  -8.979 -11.636   7.632
  357    HB2  LEU  55           2HB      LEU  55  -7.612 -11.054  10.211
  358    HB3  LEU  55           1HB      LEU  55  -9.197 -10.360   9.939
  359    HG   LEU  55           HG       LEU  55  -8.627 -13.308   9.711
  360   HD11  LEU  55          1HD1      LEU  55 -10.192 -12.648  11.991
  361   HD12  LEU  55          2HD1      LEU  55  -8.637 -13.479  11.917
  362   HD13  LEU  55          3HD1      LEU  55  -8.692 -11.722  12.044
  363   HD21  LEU  55          3HD2      LEU  55 -11.311 -12.486  10.410
  364   HD22  LEU  55          1HD2      LEU  55 -10.794 -11.775   8.882
  365   HD23  LEU  55          2HD2      LEU  55 -10.756 -13.525   9.094
  366    H    LEU  56           H        LEU  56  -7.136 -10.020   6.178
  367    HA   LEU  56           HA       LEU  56  -7.486  -7.280   6.980
  368    HB2  LEU  56           2HB      LEU  56  -5.684  -8.675   5.399
  369    HB3  LEU  56           1HB      LEU  56  -6.596  -7.717   4.246
  370    HG   LEU  56           HG       LEU  56  -5.985  -5.935   6.295
  371   HD11  LEU  56          1HD1      LEU  56  -3.402  -6.227   6.172
  372   HD12  LEU  56          2HD1      LEU  56  -4.333  -7.145   7.355
  373   HD13  LEU  56          3HD1      LEU  56  -3.793  -7.918   5.863
  374   HD21  LEU  56          3HD2      LEU  56  -5.276  -6.407   3.491
  375   HD22  LEU  56          1HD2      LEU  56  -5.815  -4.934   4.298
  376   HD23  LEU  56          2HD2      LEU  56  -4.122  -5.420   4.390
  377    H    ASN  57           H        ASN  57  -8.726  -5.736   5.981
  378    HA   ASN  57           HA       ASN  57 -10.684  -6.701   4.014
  379    HB2  ASN  57           2HB      ASN  57 -11.413  -5.998   6.487
  380    HB3  ASN  57           1HB      ASN  57 -11.356  -4.389   5.779
  381   HD21  ASN  57          1HD2      ASN  57 -13.546  -6.306   6.710
  382   HD22  ASN  57          2HD2      ASN  57 -14.676  -6.306   5.397
  383    H    GLY  58           H        GLY  58 -11.767  -4.440   3.137
  384    HA2  GLY  58           1HA      GLY  58  -9.411  -3.018   2.053
  385    HA3  GLY  58           2HA      GLY  58 -10.819  -3.431   1.084
  386    H    LEU  59           H        LEU  59 -12.015  -1.738   0.636
  387    HA   LEU  59           HA       LEU  59 -11.797   0.739   1.970
  388    HB2  LEU  59           2HB      LEU  59 -13.313  -0.374  -0.260
  389    HB3  LEU  59           1HB      LEU  59 -14.227   0.820   0.641
  390    HG   LEU  59           HG       LEU  59 -13.055   1.830  -1.256
  391   HD11  LEU  59          1HD1      LEU  59 -13.456   3.244   0.640
  392   HD12  LEU  59          2HD1      LEU  59 -12.012   2.640   1.452
  393   HD13  LEU  59          3HD1      LEU  59 -11.858   3.610  -0.013
  394   HD21  LEU  59          3HD2      LEU  59 -10.753   1.783  -1.555
  395   HD22  LEU  59          1HD2      LEU  59 -10.445   1.251   0.098
  396   HD23  LEU  59          2HD2      LEU  59 -11.135   0.128  -1.077
  397    H    SER  60           H        SER  60 -13.127   1.772   3.403
  398    HA   SER  60           HA       SER  60 -14.366   0.290   5.388
  399    HB2  SER  60           2HB      SER  60 -15.500   2.833   5.516
  400    HB3  SER  60           1HB      SER  60 -14.023   2.297   6.311
  401    HG   SER  60           HG       SER  60 -14.330   4.025   4.248
  402    H    GLY  61           H        GLY  61 -15.900  -1.140   4.609
  403    HA2  GLY  61           1HA      GLY  61 -18.201  -1.595   4.600
  404    HA3  GLY  61           2HA      GLY  61 -18.514   0.080   4.177
  405    H    ASN  62           H        ASN  62 -16.160  -0.724   2.093
  406    HA   ASN  62           HA       ASN  62 -18.168  -1.387   0.053
  407    HB2  ASN  62           2HB      ASN  62 -16.833   0.801  -0.079
  408    HB3  ASN  62           1HB      ASN  62 -15.460  -0.207  -0.526
  409   HD21  ASN  62          1HD2      ASN  62 -15.455   0.947  -2.527
  410   HD22  ASN  62          2HD2      ASN  62 -16.556   0.511  -3.789
  411    H    THR  63           H        THR  63 -17.888  -3.000  -1.363
  412    HA   THR  63           HA       THR  63 -15.750  -4.905  -0.786
  413    HB   THR  63           HB       THR  63 -18.131  -5.556  -2.479
  414    HG1  THR  63           1HG      THR  63 -18.096  -5.354   0.376
  415   HG21  THR  63          3HG2      THR  63 -16.069  -7.051  -1.853
  416   HG22  THR  63          1HG2      THR  63 -17.695  -7.731  -1.881
  417   HG23  THR  63          2HG2      THR  63 -16.958  -7.274  -0.347
  418    H    GLY  64           H        GLY  64 -14.294  -5.484  -2.337
  419    HA2  GLY  64           1HA      GLY  64 -13.868  -5.935  -4.704
  420    HA3  GLY  64           2HA      GLY  64 -14.777  -4.475  -5.074
  421    H    SER  65           H        SER  65 -13.674  -2.809  -3.094
  422    HA   SER  65           HA       SER  65 -11.028  -2.357  -4.255
  423    HB2  SER  65           2HB      SER  65 -11.863  -0.272  -2.463
  424    HB3  SER  65           1HB      SER  65 -11.629  -0.190  -4.212
  425    HG   SER  65           HG       SER  65 -13.779  -1.062  -4.408
  426    H    ALA  66           H        ALA  66  -9.344  -3.083  -3.163
  427    HA   ALA  66           HA       ALA  66  -9.439  -3.104  -0.224
  428    HB1  ALA  66           1HB      ALA  66  -7.726  -5.178  -1.180
  429    HB2  ALA  66           2HB      ALA  66  -9.166  -5.304  -0.169
  430    HB3  ALA  66           3HB      ALA  66  -9.315  -5.349  -1.928
  431    H    CYS  67           H        CYS  67  -7.403  -2.819   0.829
  432    HA   CYS  67           HA       CYS  67  -5.302  -1.745  -0.924
  433    HB2  CYS  67           2HB      CYS  67  -5.660  -0.402   1.693
  434    HB3  CYS  67           1HB      CYS  67  -5.186   0.267   0.138
  435    H    ALA  68           H        ALA  68  -3.188  -1.968  -0.200
  436    HA   ALA  68           HA       ALA  68  -2.849  -3.723   2.142
  437    HB1  ALA  68           1HB      ALA  68  -2.104  -4.240  -0.468
  438    HB2  ALA  68           2HB      ALA  68  -0.607  -3.723   0.307
  439    HB3  ALA  68           3HB      ALA  68  -1.525  -5.075   0.974
  440    H    LYS  69           H        LYS  69  -0.853  -3.429   3.343
  441    HA   LYS  69           HA       LYS  69  -0.304  -0.557   3.572
  442    HB2  LYS  69           2HB      LYS  69  -0.098  -2.834   5.545
  443    HB3  LYS  69           1HB      LYS  69   0.532  -1.227   5.873
  444    HG2  LYS  69           2HG      LYS  69  -1.559  -1.281   6.906
  445    HG3  LYS  69           1HG      LYS  69  -1.814  -0.375   5.415
  446    HD2  LYS  69           2HD      LYS  69  -3.549  -1.764   5.096
  447    HD3  LYS  69           1HD      LYS  69  -2.328  -2.948   4.626
  448    HE2  LYS  69           2HE      LYS  69  -2.590  -4.154   6.512
  449    HE3  LYS  69           1HE      LYS  69  -2.815  -2.726   7.518
  450    HZ1  LYS  69           3HZ      LYS  69  -5.070  -2.777   6.025
  451    HZ2  LYS  69           1HZ      LYS  69  -4.931  -3.389   7.599
  452    HZ3  LYS  69           2HZ      LYS  69  -4.773  -4.420   6.264
  453    H    ALA  70           H        ALA  70   1.932  -0.159   4.660
  454    HA   ALA  70           HA       ALA  70   3.904  -0.786   2.767
  455    HB1  ALA  70           1HB      ALA  70   4.941   0.881   3.781
  456    HB2  ALA  70           2HB      ALA  70   3.674   0.895   5.007
  457    HB3  ALA  70           3HB      ALA  70   5.125  -0.082   5.247
  458    H    SER  71           H        SER  71   3.196  -2.181   5.939
  459    HA   SER  71           HA       SER  71   5.398  -3.937   6.018
  460    HB2  SER  71           2HB      SER  71   2.940  -4.908   7.293
  461    HB3  SER  71           1HB      SER  71   4.516  -4.564   8.004
  462    HG   SER  71           HG       SER  71   2.277  -3.078   8.036
  463    H    LEU  72           H        LEU  72   2.173  -4.200   4.628
  464    HA   LEU  72           HA       LEU  72   2.417  -6.956   3.938
  465    HB2  LEU  72           2HB      LEU  72   0.386  -5.005   3.868
  466    HB3  LEU  72           1HB      LEU  72   0.591  -5.559   2.216
  467    HG   LEU  72           HG       LEU  72   0.111  -7.815   2.815
  468   HD11  LEU  72          1HD1      LEU  72  -0.269  -8.549   5.085
  469   HD12  LEU  72          2HD1      LEU  72   1.338  -7.837   4.939
  470   HD13  LEU  72          3HD1      LEU  72   0.030  -6.919   5.689
  471   HD21  LEU  72          3HD2      LEU  72  -1.946  -6.539   4.499
  472   HD22  LEU  72          1HD2      LEU  72  -1.729  -5.858   2.886
  473   HD23  LEU  72          2HD2      LEU  72  -2.115  -7.569   3.079
  474    H    ILE  73           H        ILE  73   3.483  -4.002   2.515
  475    HA   ILE  73           HA       ILE  73   3.795  -4.800  -0.153
  476    HB   ILE  73           HB       ILE  73   4.812  -2.649   1.551
  477   HG12  ILE  73          2HG1      ILE  73   4.691  -1.920  -1.178
  478   HG13  ILE  73          1HG1      ILE  73   3.369  -3.048  -0.899
  479   HG21  ILE  73          1HG2      ILE  73   6.513  -2.262  -0.564
  480   HG22  ILE  73          2HG2      ILE  73   6.988  -2.810   1.043
  481   HG23  ILE  73          3HG2      ILE  73   6.697  -3.986  -0.240
  482   HD11  ILE  73          3HD1      ILE  73   3.636  -0.976   1.144
  483   HD12  ILE  73          1HD1      ILE  73   3.259  -0.381  -0.474
  484   HD13  ILE  73          2HD1      ILE  73   2.209  -1.569   0.296
  485    H    ASP  74           H        ASP  74   5.864  -5.242   2.692
  486    HA   ASP  74           HA       ASP  74   7.829  -6.725   1.143
  487    HB2  ASP  74           2HB      ASP  74   8.366  -5.162   3.100
  488    HB3  ASP  74           1HB      ASP  74   7.775  -6.454   4.142
  489    H    GLN  75           H        GLN  75   4.888  -7.454   2.190
  490    HA   GLN  75           HA       GLN  75   5.510 -10.060   3.343
  491    HB2  GLN  75           2HB      GLN  75   3.537  -8.235   3.903
  492    HB3  GLN  75           1HB      GLN  75   2.689  -9.400   2.898
  493    HG2  GLN  75           2HG      GLN  75   2.385 -10.085   5.130
  494    HG3  GLN  75           1HG      GLN  75   3.559 -11.194   4.420
  495   HE21  GLN  75          1HE2      GLN  75   4.684  -8.041   5.098
  496   HE22  GLN  75          2HE2      GLN  75   5.570  -8.429   6.524
  497    H    LEU  76           H        LEU  76   3.553  -8.715   0.673
  498    HA   LEU  76           HA       LEU  76   3.686 -11.386  -0.566
  499    HB2  LEU  76           2HB      LEU  76   1.420  -9.491  -0.222
  500    HB3  LEU  76           1HB      LEU  76   1.458 -10.477  -1.670
  501    HG   LEU  76           HG       LEU  76   0.160 -11.767  -0.278
  502   HD11  LEU  76          1HD1      LEU  76   1.792 -13.480   0.849
  503   HD12  LEU  76          2HD1      LEU  76   1.658 -13.368  -0.906
  504   HD13  LEU  76          3HD1      LEU  76   3.008 -12.596  -0.075
  505   HD21  LEU  76          3HD2      LEU  76   1.933 -11.238   2.090
  506   HD22  LEU  76          1HD2      LEU  76   0.560 -10.213   1.674
  507   HD23  LEU  76          2HD2      LEU  76   0.304 -11.911   2.071
  508    H    GLY  77           H        GLY  77   4.354  -8.068  -0.970
  509    HA2  GLY  77           1HA      GLY  77   5.309  -6.933  -2.737
  510    HA3  GLY  77           2HA      GLY  77   5.510  -8.488  -3.533
  511    H    LEU  78           H        LEU  78   2.659  -6.640  -2.517
  512    HA   LEU  78           HA       LEU  78   1.222  -7.413  -4.872
  513    HB2  LEU  78           2HB      LEU  78   0.313  -5.282  -2.980
  514    HB3  LEU  78           1HB      LEU  78  -0.647  -6.436  -3.883
  515    HG   LEU  78           HG       LEU  78   0.799  -8.088  -2.248
  516   HD11  LEU  78          1HD1      LEU  78   0.997  -5.476  -1.131
  517   HD12  LEU  78          2HD1      LEU  78  -0.047  -6.450  -0.096
  518   HD13  LEU  78          3HD1      LEU  78   1.583  -7.002  -0.472
  519   HD21  LEU  78          3HD2      LEU  78  -1.558  -7.379  -0.864
  520   HD22  LEU  78          1HD2      LEU  78  -1.888  -7.205  -2.587
  521   HD23  LEU  78          2HD2      LEU  78  -1.300  -8.743  -1.953
  522    H    LEU  79           H        LEU  79   2.069  -6.530  -6.689
  523    HA   LEU  79           HA       LEU  79   2.813  -3.768  -6.879
  524    HB2  LEU  79           2HB      LEU  79   2.319  -5.078  -9.426
  525    HB3  LEU  79           1HB      LEU  79   3.795  -4.366  -8.802
  526    HG   LEU  79           HG       LEU  79   3.660  -6.683  -7.367
  527   HD11  LEU  79          1HD1      LEU  79   2.775  -8.424  -8.533
  528   HD12  LEU  79          2HD1      LEU  79   1.679  -7.146  -9.062
  529   HD13  LEU  79          3HD1      LEU  79   3.017  -7.645 -10.097
  530   HD21  LEU  79          3HD2      LEU  79   4.945  -6.496 -10.084
  531   HD22  LEU  79          1HD2      LEU  79   5.565  -5.645  -8.668
  532   HD23  LEU  79          2HD2      LEU  79   5.494  -7.407  -8.676
  533    H    ALA  80           H        ALA  80  -0.136  -5.014  -6.547
  534    HA   ALA  80           HA       ALA  80  -1.599  -3.928  -8.715
  535    HB1  ALA  80           1HB      ALA  80  -2.193  -5.655  -6.715
  536    HB2  ALA  80           2HB      ALA  80  -3.037  -4.205  -6.172
  537    HB3  ALA  80           3HB      ALA  80  -3.392  -4.889  -7.757
  538    H    LEU  81           H        LEU  81  -0.757  -2.665  -5.521
  539    HA   LEU  81           HA       LEU  81  -2.134  -0.160  -6.232
  540    HB2  LEU  81           2HB      LEU  81  -1.731  -0.213  -3.453
  541    HB3  LEU  81           1HB      LEU  81  -3.245  -0.315  -4.331
  542    HG   LEU  81           HG       LEU  81  -2.123  -2.901  -4.383
  543   HD11  LEU  81          1HD1      LEU  81  -1.264  -1.453  -2.069
  544   HD12  LEU  81          2HD1      LEU  81  -2.399  -2.715  -1.586
  545   HD13  LEU  81          3HD1      LEU  81  -0.957  -3.132  -2.510
  546   HD21  LEU  81          3HD2      LEU  81  -4.305  -1.964  -2.552
  547   HD22  LEU  81          1HD2      LEU  81  -4.521  -2.033  -4.301
  548   HD23  LEU  81          2HD2      LEU  81  -4.153  -3.505  -3.397
  549    H    VAL  82           H        VAL  82   0.854  -1.380  -6.130
  550    HA   VAL  82           HA       VAL  82   2.013   1.070  -4.981
  551    HB   VAL  82           HB       VAL  82   3.511  -1.501  -5.486
  552   HG11  VAL  82          1HG1      VAL  82   5.136  -0.541  -3.918
  553   HG12  VAL  82          2HG1      VAL  82   4.899   0.483  -5.335
  554   HG13  VAL  82          3HG1      VAL  82   4.148   0.916  -3.800
  555   HG21  VAL  82          3HG2      VAL  82   2.076  -2.263  -3.870
  556   HG22  VAL  82          1HG2      VAL  82   3.354  -1.571  -2.872
  557   HG23  VAL  82          2HG2      VAL  82   1.864  -0.667  -3.144
  558    H    ASP  83           H        ASP  83   3.281   2.338  -6.218
  559    HA   ASP  83           HA       ASP  83   3.742   1.459  -8.993
  560    HB2  ASP  83           2HB      ASP  83   2.053   3.427  -8.431
  561    HB3  ASP  83           1HB      ASP  83   3.533   4.371  -8.324
  562    H    HIS  84           H        HIS  84   5.571   2.787 -10.016
  563    HA   HIS  84           HA       HIS  84   7.690   3.213  -8.022
  564    HB2  HIS  84           2HB      HIS  84   7.670   0.953  -9.432
  565    HB3  HIS  84           1HB      HIS  84   8.457   1.994 -10.620
  566    HD1  HIS  84           1HD      HIS  84  10.426   3.582  -9.166
  567    HD2  HIS  84           2HD      HIS  84   9.575  -0.328  -8.041
  568    HE1  HIS  84           1HE      HIS  84  12.393   2.829  -7.807
  569    HE2  HIS  84           2HE      HIS  84  11.790   0.515  -7.004
  570    H    THR  85           H        THR  85   7.739   5.384  -8.194
  571    HA   THR  85           HA       THR  85   8.261   6.548 -10.824
  572    HB   THR  85           HB       THR  85   8.189   8.726  -9.591
  573    HG1  THR  85           1HG      THR  85   7.546   8.713  -7.423
  574   HG21  THR  85          3HG2      THR  85   5.751   7.000  -9.129
  575   HG22  THR  85          1HG2      THR  85   6.175   7.746 -10.671
  576   HG23  THR  85          2HG2      THR  85   5.790   8.758  -9.280
  577    H    GLU  86           H        GLU  86   9.949   8.589 -10.237
  578    HA   GLU  86           HA       GLU  86  12.451   7.258  -9.697
  579    HB2  GLU  86           2HB      GLU  86  12.162  10.221 -10.021
  580    HB3  GLU  86           1HB      GLU  86  13.480   9.174 -10.532
  581    HG2  GLU  86           2HG      GLU  86  11.397   8.211 -12.002
  582    HG3  GLU  86           1HG      GLU  86  11.026   9.933 -11.922
  583    H    GLU  87           H        GLU  87  10.132   8.156  -7.715
  584    HA   GLU  87           HA       GLU  87  11.887   9.281  -5.644
  585    HB2  GLU  87           2HB      GLU  87   8.875   9.004  -5.669
  586    HB3  GLU  87           1HB      GLU  87   9.826   9.837  -4.449
  587    HG2  GLU  87           2HG      GLU  87   9.684  11.715  -5.610
  588    HG3  GLU  87           1HG      GLU  87  10.486  10.945  -6.976
  589    H    GLY  88           H        GLY  88  11.085   6.375  -6.792
  590    HA2  GLY  88           1HA      GLY  88  11.773   4.365  -5.697
  591    HA3  GLY  88           2HA      GLY  88  11.368   5.105  -4.157
  592    HA   PRO  89           HA       PRO  89   7.796   2.299  -5.158
  593    HB2  PRO  89           2HB      PRO  89   8.038   1.844  -2.253
  594    HB3  PRO  89           1HB      PRO  89   7.885   0.666  -3.560
  595    HG2  PRO  89           2HG      PRO  89  10.199   0.994  -2.258
  596    HG3  PRO  89           1HG      PRO  89  10.160   0.662  -4.001
  597    HD2  PRO  89           2HD      PRO  89  10.584   3.268  -2.572
  598    HD3  PRO  89           1HD      PRO  89  11.419   2.615  -3.998
  599    H    VAL  90           H        VAL  90   5.982   3.477  -5.278
  600    HA   VAL  90           HA       VAL  90   5.298   5.252  -3.036
  601    HB   VAL  90           HB       VAL  90   4.509   6.903  -4.858
  602   HG11  VAL  90          1HG1      VAL  90   7.209   7.413  -5.125
  603   HG12  VAL  90          2HG1      VAL  90   6.168   7.964  -3.811
  604   HG13  VAL  90          3HG1      VAL  90   7.108   6.482  -3.629
  605   HG21  VAL  90          3HG2      VAL  90   6.287   6.718  -6.808
  606   HG22  VAL  90          1HG2      VAL  90   6.178   5.000  -6.422
  607   HG23  VAL  90          2HG2      VAL  90   4.731   5.890  -6.898
  608    H    CYS  91           H        CYS  91   3.049   6.289  -3.557
  609    HA   CYS  91           HA       CYS  91   1.159   4.180  -3.703
  610    HB2  CYS  91           2HB      CYS  91   1.165   6.891  -2.894
  611    HB3  CYS  91           1HB      CYS  91  -0.066   6.747  -4.150
  612    H    LYS  92           H        LYS  92   0.069   3.379  -5.388
  613    HA   LYS  92           HA       LYS  92   0.733   4.303  -8.039
  614    HB2  LYS  92           2HB      LYS  92   0.457   1.869  -7.287
  615    HB3  LYS  92           1HB      LYS  92  -1.275   2.171  -7.353
  616    HG2  LYS  92           2HG      LYS  92  -1.315   2.257  -9.623
  617    HG3  LYS  92           1HG      LYS  92   0.337   2.866  -9.740
  618    HD2  LYS  92           2HD      LYS  92   1.263   0.776  -9.596
  619    HD3  LYS  92           1HD      LYS  92  -0.100   0.125  -8.686
  620    HE2  LYS  92           2HE      LYS  92  -0.785   1.001 -11.389
  621    HE3  LYS  92           1HE      LYS  92   0.381  -0.322 -11.338
  622    HZ1  LYS  92           3HZ      LYS  92  -1.191  -1.743 -10.712
  623    HZ2  LYS  92           1HZ      LYS  92  -2.331  -0.547 -11.106
  624    HZ3  LYS  92           2HZ      LYS  92  -1.782  -0.708  -9.508
  625    H    ASN  93           H        ASN  93  -1.972   4.493  -5.843
  626    HA   ASN  93           HA       ASN  93  -3.395   6.146  -7.780
  627    HB2  ASN  93           2HB      ASN  93  -4.186   3.457  -7.040
  628    HB3  ASN  93           1HB      ASN  93  -5.439   4.628  -6.639
  629   HD21  ASN  93          1HD2      ASN  93  -3.345   3.517  -9.244
  630   HD22  ASN  93          2HD2      ASN  93  -4.424   3.922 -10.529
  631    H    ILE  94           H        ILE  94  -4.882   4.754  -4.925
  632    HA   ILE  94           HA       ILE  94  -5.120   7.507  -3.918
  633    HB   ILE  94           HB       ILE  94  -7.279   7.126  -3.264
  634   HG12  ILE  94          2HG1      ILE  94  -6.680   4.170  -3.090
  635   HG13  ILE  94          1HG1      ILE  94  -6.795   5.278  -1.725
  636   HG21  ILE  94          1HG2      ILE  94  -7.601   4.894  -5.127
  637   HG22  ILE  94          2HG2      ILE  94  -8.320   6.505  -5.156
  638   HG23  ILE  94          3HG2      ILE  94  -6.689   6.252  -5.785
  639   HD11  ILE  94          3HD1      ILE  94  -8.936   4.721  -1.576
  640   HD12  ILE  94          1HD1      ILE  94  -9.203   5.565  -3.101
  641   HD13  ILE  94          2HD1      ILE  94  -8.868   3.834  -3.099
  642    H    VAL  95           H        VAL  95  -4.930   7.941  -1.726
  643    HA   VAL  95           HA       VAL  95  -3.284   6.002  -0.270
  644    HB   VAL  95           HB       VAL  95  -2.192   8.121  -0.545
  645   HG11  VAL  95          1HG1      VAL  95  -4.528   9.305  -0.754
  646   HG12  VAL  95          2HG1      VAL  95  -4.258   9.644   0.956
  647   HG13  VAL  95          3HG1      VAL  95  -3.093  10.195  -0.247
  648   HG21  VAL  95          3HG2      VAL  95  -2.758   7.007   1.984
  649   HG22  VAL  95          1HG2      VAL  95  -1.353   7.956   1.498
  650   HG23  VAL  95          2HG2      VAL  95  -2.769   8.761   2.174
  651    H    ALA  96           H        ALA  96  -3.810   5.299   1.772
  652    HA   ALA  96           HA       ALA  96  -6.311   6.199   2.971
  653    HB1  ALA  96           1HB      ALA  96  -6.197   3.931   1.303
  654    HB2  ALA  96           2HB      ALA  96  -6.359   3.342   2.956
  655    HB3  ALA  96           3HB      ALA  96  -7.541   4.478   2.304
  656    H    CYS  97           H        CYS  97  -6.671   5.333   5.111
  657    HA   CYS  97           HA       CYS  97  -4.183   4.483   6.425
  658    HB2  CYS  97           2HB      CYS  97  -6.452   6.182   7.286
  659    HB3  CYS  97           1HB      CYS  97  -5.827   5.071   8.501
  660    H    CYS  98           H        CYS  98  -4.054   2.391   6.680
  661    HA   CYS  98           HA       CYS  98  -6.536   0.833   6.977
  662    HB2  CYS  98           2HB      CYS  98  -5.477   0.860   4.654
  663    HB3  CYS  98           1HB      CYS  98  -4.136  -0.027   5.359
  664    HA   PRO  99           HA       PRO  99  -4.036  -0.482  10.521
  665    HB2  PRO  99           2HB      PRO  99  -6.039  -1.832  11.768
  666    HB3  PRO  99           1HB      PRO  99  -5.887  -0.072  11.826
  667    HG2  PRO  99           2HG      PRO  99  -7.629  -1.756  10.068
  668    HG3  PRO  99           1HG      PRO  99  -8.047  -0.288  10.976
  669    HD2  PRO  99           2HD      PRO  99  -7.499  -0.234   8.334
  670    HD3  PRO  99           1HD      PRO  99  -7.058   1.107   9.413
  671    H    GLU 100           H        GLU 100  -2.675  -2.175  10.375
  672    HA   GLU 100           HA       GLU 100  -3.355  -4.574   8.953
  673    HB2  GLU 100           2HB      GLU 100  -0.984  -3.358   9.651
  674    HB3  GLU 100           1HB      GLU 100  -1.043  -4.719  10.761
  675    HG2  GLU 100           2HG      GLU 100  -0.220  -5.983   9.141
  676    HG3  GLU 100           1HG      GLU 100  -1.752  -5.792   8.292
  677    H    GLY 101           H        GLY 101  -4.906  -5.827   9.857
  678    HA2  GLY 101           1HA      GLY 101  -4.446  -7.531  11.930
  679    HA3  GLY 101           2HA      GLY 101  -5.154  -6.121  12.702
  680    H    THR 102           H        THR 102  -7.233  -5.329  11.516
  681    HA   THR 102           HA       THR 102  -8.816  -7.390  10.275
  682    HB   THR 102           HB       THR 102 -10.359  -6.650  12.568
  683    HG1  THR 102           1HG      THR 102  -7.766  -7.680  13.115
  684   HG21  THR 102          3HG2      THR 102  -9.299  -9.397  12.347
  685   HG22  THR 102          1HG2      THR 102 -10.174  -8.786  10.944
  686   HG23  THR 102          2HG2      THR 102 -10.961  -8.834  12.522
  687    H    THR 103           H        THR 103 -10.899  -6.648   9.621
  688    HA   THR 103           HA       THR 103 -12.614  -5.248   9.163
  689    HB   THR 103           HB       THR 103 -11.540  -3.110  10.981
  690    HG1  THR 103           1HG      THR 103 -12.335  -5.710  11.643
  691   HG21  THR 103          3HG2      THR 103 -14.145  -3.341  11.562
  692   HG22  THR 103          1HG2      THR 103 -14.178  -3.979   9.921
  693   HG23  THR 103          2HG2      THR 103 -13.559  -2.354  10.220
  694    H    ASN 104           H        ASN 104 -13.108  -3.011   8.315
  695    HA   ASN 104           HA       ASN 104 -11.426  -2.762   6.026
  696    HB2  ASN 104           2HB      ASN 104 -13.146  -0.963   5.403
  697    HB3  ASN 104           1HB      ASN 104 -13.715  -2.619   5.546
  698   HD21  ASN 104          1HD2      ASN 104 -13.030  -0.269   8.114
  699   HD22  ASN 104          2HD2      ASN 104 -14.651  -0.219   8.730
  700    H    CYS 105           H        CYS 105 -10.852  -0.639   5.126
  701    HA   CYS 105           HA       CYS 105  -9.680   1.062   7.231
  702    HB2  CYS 105           2HB      CYS 105  -8.477   0.495   4.526
  703    HB3  CYS 105           1HB      CYS 105  -7.700   1.212   5.934
  704    H    VAL 106           H        VAL 106  -9.620   3.267   6.856
  705    HA   VAL 106           HA       VAL 106 -11.580   4.216   4.928
  706    HB   VAL 106           HB       VAL 106 -11.944   6.007   6.283
  707   HG11  VAL 106          1HG1      VAL 106 -11.784   5.446   8.611
  708   HG12  VAL 106          2HG1      VAL 106 -12.117   3.973   7.699
  709   HG13  VAL 106          3HG1      VAL 106 -10.485   4.297   8.289
  710   HG21  VAL 106          3HG2      VAL 106  -9.054   5.983   7.141
  711   HG22  VAL 106          1HG2      VAL 106  -9.767   7.046   5.928
  712   HG23  VAL 106          2HG2      VAL 106 -10.260   7.178   7.617
  713    H    ALA 107           H        ALA 107 -11.143   5.827   3.394
  714    HA   ALA 107           HA       ALA 107  -8.295   6.122   2.711
  715    HB1  ALA 107           1HB      ALA 107  -8.961   5.343   0.721
  716    HB2  ALA 107           2HB      ALA 107 -10.666   5.556   1.122
  717    HB3  ALA 107           3HB      ALA 107  -9.735   6.910   0.484
  718    H    VAL 108           H        VAL 108  -7.444   8.160   2.353
  719    HA   VAL 108           HA       VAL 108  -9.156  10.358   3.246
  720    HB   VAL 108           HB       VAL 108  -6.837   9.723   4.315
  721   HG11  VAL 108          1HG1      VAL 108  -5.094   9.979   2.976
  722   HG12  VAL 108          2HG1      VAL 108  -6.074  10.775   1.744
  723   HG13  VAL 108          3HG1      VAL 108  -5.375  11.719   3.060
  724   HG21  VAL 108          3HG2      VAL 108  -6.528  12.198   4.847
  725   HG22  VAL 108          1HG2      VAL 108  -7.920  12.472   3.800
  726   HG23  VAL 108          2HG2      VAL 108  -8.085  11.469   5.240
  727    H    ASP 109           H        ASP 109  -8.218   9.041   0.482
  728    HA   ASP 109           HA       ASP 109  -7.964  11.566  -0.983
  729    HB2  ASP 109           2HB      ASP 109  -6.318  10.124  -1.797
  730    HB3  ASP 109           1HB      ASP 109  -7.349   8.703  -1.660
  731    H    ASN 110           H        ASN 110  -9.309  11.717  -3.045
  732    HA   ASN 110           HA       ASN 110 -11.925  10.433  -2.653
  733    HB2  ASN 110           2HB      ASN 110 -11.258  13.303  -2.689
  734    HB3  ASN 110           1HB      ASN 110 -12.664  12.845  -3.644
  735   HD21  ASN 110          1HD2      ASN 110 -11.318  13.126  -0.468
  736   HD22  ASN 110          2HD2      ASN 110 -12.791  12.838   0.399
  737    H    ALA 111           H        ALA 111  -9.407  10.947  -4.804
  738    HA   ALA 111           HA       ALA 111 -11.018  10.133  -7.042
  739    HB1  ALA 111           1HB      ALA 111  -9.959  12.941  -6.940
  740    HB2  ALA 111           2HB      ALA 111 -10.397  12.135  -8.446
  741    HB3  ALA 111           3HB      ALA 111 -11.619  12.403  -7.202
  742    H    GLY 112           H        GLY 112  -8.464   9.408  -5.579
  743    HA2  GLY 112           1HA      GLY 112  -6.534   8.331  -6.225
  744    HA3  GLY 112           2HA      GLY 112  -7.054   8.523  -7.894
  745    H    ALA 113           H        ALA 113  -6.562  11.166  -5.623
  746    HA   ALA 113           HA       ALA 113  -4.662  12.338  -7.493
  747    HB1  ALA 113           1HB      ALA 113  -6.591  13.608  -6.432
  748    HB2  ALA 113           2HB      ALA 113  -5.639  13.603  -4.948
  749    HB3  ALA 113           3HB      ALA 113  -5.009  14.388  -6.398
  750    H    GLY 114           H        GLY 114  -3.207  10.466  -6.851
  751    HA2  GLY 114           1HA      GLY 114  -1.805  10.914  -4.332
  752    HA3  GLY 114           2HA      GLY 114  -1.559   9.566  -5.433
  753    H    THR 115           H        THR 115  -1.280  13.128  -5.517
  754    HA   THR 115           HA       THR 115   0.805  13.106  -7.440
  755    HB   THR 115           HB       THR 115   0.962  15.518  -5.976
  756    HG1  THR 115           1HG      THR 115  -1.212  16.113  -5.793
  757   HG21  THR 115          3HG2      THR 115  -0.137  16.453  -7.994
  758   HG22  THR 115          1HG2      THR 115  -0.502  14.812  -8.525
  759   HG23  THR 115          2HG2      THR 115   1.174  15.341  -8.390
  760    H    LYS 116           H        LYS 116   0.722  12.642  -4.054
  761    HA   LYS 116           HA       LYS 116   2.285  12.223  -2.478
  762    HB2  LYS 116           2HB      LYS 116   4.247  12.303  -4.776
  763    HB3  LYS 116           1HB      LYS 116   4.622  11.779  -3.140
  764    HG2  LYS 116           2HG      LYS 116   3.351   9.847  -3.332
  765    HG3  LYS 116           1HG      LYS 116   2.450  10.460  -4.720
  766    HD2  LYS 116           2HD      LYS 116   5.362  10.277  -5.091
  767    HD3  LYS 116           1HD      LYS 116   4.534   8.733  -4.884
  768    HE2  LYS 116           2HE      LYS 116   3.958   8.825  -7.028
  769    HE3  LYS 116           1HE      LYS 116   2.938  10.212  -6.643
  770    HZ1  LYS 116           3HZ      LYS 116   5.827  10.482  -7.271
  771    HZ2  LYS 116           1HZ      LYS 116   4.640  11.694  -7.238
  772    HZ3  LYS 116           2HZ      LYS 116   4.617  10.535  -8.469
  773    H    ALA 117           H        ALA 117   4.210  14.287  -4.637
  774    HA   ALA 117           HA       ALA 117   4.184  16.342  -2.527
  775    HB1  ALA 117           1HB      ALA 117   6.428  16.440  -4.415
  776    HB2  ALA 117           2HB      ALA 117   6.414  16.620  -2.662
  777    HB3  ALA 117           3HB      ALA 117   6.409  15.009  -3.383
  778    H    GLU 118           H        GLU 118   2.990  18.001  -3.149
  779    HA   GLU 118           HA       GLU 118   3.083  18.893  -5.939
  780    HB2  GLU 118           2HB      GLU 118   1.070  17.574  -5.782
  781    HB3  GLU 118           1HB      GLU 118   0.613  18.352  -4.275
  782    HG2  GLU 118           2HG      GLU 118   0.220  20.435  -5.438
  783    HG3  GLU 118           1HG      GLU 118   0.780  19.719  -6.950
  Start of MODEL   11
    1    H1   SER   1           1H       SER   1  14.019 -10.702 -12.722
    2    H2   SER   1           2H       SER   1  13.661  -9.176 -12.079
    3    H3   SER   1           3H       SER   1  12.551 -10.445 -11.919
    4    HA   SER   1           HA       SER   1  14.692 -11.536 -10.788
    5    HB2  SER   1           2HB      SER   1  14.770  -8.826  -9.576
    6    HB3  SER   1           1HB      SER   1  16.065 -10.009  -9.781
    7    HG   SER   1           HG       SER   1  16.434  -9.302 -11.795
    8    H    LEU   2           H        LEU   2  14.190 -12.174  -8.677
    9    HA   LEU   2           HA       LEU   2  11.655 -11.119  -7.594
   10    HB2  LEU   2           2HB      LEU   2  12.474 -14.019  -7.499
   11    HB3  LEU   2           1HB      LEU   2  10.932 -13.331  -7.029
   12    HG   LEU   2           HG       LEU   2  11.320 -12.657  -9.748
   13   HD11  LEU   2          1HD1      LEU   2  11.873 -14.607 -10.860
   14   HD12  LEU   2          2HD1      LEU   2  13.012 -14.598  -9.514
   15   HD13  LEU   2          3HD1      LEU   2  11.574 -15.620  -9.447
   16   HD21  LEU   2          3HD2      LEU   2   9.233 -13.224  -8.333
   17   HD22  LEU   2          1HD2      LEU   2   9.253 -13.679 -10.036
   18   HD23  LEU   2          2HD2      LEU   2   9.566 -14.893  -8.796
   19    HA   PRO   3           HA       PRO   3  14.020 -10.754  -3.845
   20    HB2  PRO   3           2HB      PRO   3  11.479 -10.705  -2.393
   21    HB3  PRO   3           1HB      PRO   3  12.672  -9.420  -2.600
   22    HG2  PRO   3           2HG      PRO   3  10.246  -9.354  -3.792
   23    HG3  PRO   3           1HG      PRO   3  11.690  -8.637  -4.525
   24    HD2  PRO   3           2HD      PRO   3  10.358 -11.247  -5.134
   25    HD3  PRO   3           1HD      PRO   3  11.068 -10.058  -6.247
   26    H    ALA   4           H        ALA   4  11.265 -12.972  -3.967
   27    HA   ALA   4           HA       ALA   4  10.906 -15.058  -3.149
   28    HB1  ALA   4           1HB      ALA   4  12.837 -16.579  -3.149
   29    HB2  ALA   4           2HB      ALA   4  12.750 -15.596  -4.610
   30    HB3  ALA   4           3HB      ALA   4  13.911 -15.193  -3.345
   31    H    SER   5           H        SER   5  11.126 -12.956  -1.189
   32    HA   SER   5           HA       SER   5  11.150 -12.637   1.047
   33    HB2  SER   5           2HB      SER   5  11.400 -15.634   1.311
   34    HB3  SER   5           1HB      SER   5  10.750 -14.505   2.499
   35    HG   SER   5           HG       SER   5   9.156 -13.983   0.777
   36    H    ALA   6           H        ALA   6  13.717 -13.016  -0.544
   37    HA   ALA   6           HA       ALA   6  15.561 -13.646   1.628
   38    HB1  ALA   6           1HB      ALA   6  15.697 -13.896  -1.166
   39    HB2  ALA   6           2HB      ALA   6  16.875 -12.661  -0.723
   40    HB3  ALA   6           3HB      ALA   6  16.957 -14.260   0.014
   41    H    ALA   7           H        ALA   7  13.869 -11.019   0.510
   42    HA   ALA   7           HA       ALA   7  15.983  -9.076   1.040
   43    HB1  ALA   7           1HB      ALA   7  13.971  -7.516   0.282
   44    HB2  ALA   7           2HB      ALA   7  14.996  -8.366  -0.878
   45    HB3  ALA   7           3HB      ALA   7  13.421  -9.026  -0.444
   46    H    LYS   8           H        LYS   8  12.506  -8.703   1.655
   47    HA   LYS   8           HA       LYS   8  11.393  -7.729   3.374
   48    HB2  LYS   8           2HB      LYS   8  12.563  -9.882   4.475
   49    HB3  LYS   8           1HB      LYS   8  13.375  -8.629   5.404
   50    HG2  LYS   8           2HG      LYS   8  11.471  -7.991   6.485
   51    HG3  LYS   8           1HG      LYS   8  10.420  -8.491   5.156
   52    HD2  LYS   8           2HD      LYS   8  11.054 -10.877   5.743
   53    HD3  LYS   8           1HD      LYS   8  11.771 -10.220   7.217
   54    HE2  LYS   8           2HE      LYS   8   9.545  -9.178   7.720
   55    HE3  LYS   8           1HE      LYS   8   8.882 -10.081   6.358
   56    HZ1  LYS   8           3HZ      LYS   8   9.255 -10.941   8.992
   57    HZ2  LYS   8           1HZ      LYS   8  10.303 -11.850   8.016
   58    HZ3  LYS   8           2HZ      LYS   8   8.638 -11.825   7.684
   59    H    ASN   9           H        ASN   9  12.452  -5.833   2.195
   60    HA   ASN   9           HA       ASN   9  14.549  -4.569   3.811
   61    HB2  ASN   9           2HB      ASN   9  15.286  -3.408   1.897
   62    HB3  ASN   9           1HB      ASN   9  14.919  -5.031   1.331
   63   HD21  ASN   9          1HD2      ASN   9  12.729  -5.310   0.364
   64   HD22  ASN   9          2HD2      ASN   9  12.102  -4.018  -0.587
   65    H    ALA  10           H        ALA  10  11.447  -3.862   2.253
   66    HA   ALA  10           HA       ALA  10   9.941  -2.195   2.524
   67    HB1  ALA  10           1HB      ALA  10   9.341  -3.210   4.514
   68    HB2  ALA  10           2HB      ALA  10  10.851  -2.771   5.315
   69    HB3  ALA  10           3HB      ALA  10   9.631  -1.539   4.998
   70    H    LYS  11           H        LYS  11  11.491  -0.777   1.253
   71    HA   LYS  11           HA       LYS  11  12.950   1.299   2.444
   72    HB2  LYS  11           2HB      LYS  11  11.329   1.233  -0.093
   73    HB3  LYS  11           1HB      LYS  11  12.230   2.650   0.402
   74    HG2  LYS  11           2HG      LYS  11  14.265   1.064   0.493
   75    HG3  LYS  11           1HG      LYS  11  13.271   0.001  -0.509
   76    HD2  LYS  11           2HD      LYS  11  13.202   1.518  -2.276
   77    HD3  LYS  11           1HD      LYS  11  13.601   2.885  -1.237
   78    HE2  LYS  11           2HE      LYS  11  15.877   1.961  -0.959
   79    HE3  LYS  11           1HE      LYS  11  15.465   0.666  -2.083
   80    HZ1  LYS  11           3HZ      LYS  11  15.338   2.153  -3.862
   81    HZ2  LYS  11           1HZ      LYS  11  16.688   2.698  -2.993
   82    HZ3  LYS  11           2HZ      LYS  11  15.214   3.517  -2.856
   83    H    LEU  12           H        LEU  12   9.965   2.013   0.790
   84    HA   LEU  12           HA       LEU  12   8.078   3.128   1.285
   85    HB2  LEU  12           2HB      LEU  12   8.446   1.538   3.430
   86    HB3  LEU  12           1HB      LEU  12   8.494   3.108   4.208
   87    HG   LEU  12           HG       LEU  12   6.238   1.823   4.009
   88   HD11  LEU  12          1HD1      LEU  12   6.711   4.732   3.489
   89   HD12  LEU  12          2HD1      LEU  12   5.084   4.073   3.671
   90   HD13  LEU  12          3HD1      LEU  12   6.244   3.936   4.993
   91   HD21  LEU  12          3HD2      LEU  12   6.688   2.839   1.236
   92   HD22  LEU  12          1HD2      LEU  12   5.965   1.320   1.773
   93   HD23  LEU  12          2HD2      LEU  12   5.055   2.826   1.902
   94    H    ALA  13           H        ALA  13  10.578   4.092   3.619
   95    HA   ALA  13           HA       ALA  13   9.640   6.821   3.625
   96    HB1  ALA  13           1HB      ALA  13  12.231   6.504   4.829
   97    HB2  ALA  13           2HB      ALA  13  10.693   6.930   5.579
   98    HB3  ALA  13           3HB      ALA  13  11.137   5.234   5.376
   99    H    THR  14           H        THR  14  12.184   4.964   2.132
  100    HA   THR  14           HA       THR  14  13.740   7.184   1.269
  101    HB   THR  14           HB       THR  14  14.106   4.831  -0.366
  102    HG1  THR  14           1HG      THR  14  14.713   4.135   2.234
  103   HG21  THR  14          3HG2      THR  14  15.631   6.661   1.344
  104   HG22  THR  14          1HG2      THR  14  16.080   5.898  -0.183
  105   HG23  THR  14          2HG2      THR  14  16.249   5.010   1.330
  106    H    SER  15           H        SER  15  10.729   6.351   0.351
  107    HA   SER  15           HA       SER  15  10.939   6.948  -2.464
  108    HB2  SER  15           2HB      SER  15   8.515   6.945  -2.450
  109    HB3  SER  15           1HB      SER  15   9.080   5.564  -1.512
  110    HG   SER  15           HG       SER  15   8.249   6.406   0.245
  111    H    ALA  16           H        ALA  16  10.406   8.607   0.551
  112    HA   ALA  16           HA       ALA  16  10.243  10.775   1.183
  113    HB1  ALA  16           1HB      ALA  16  10.832  12.056  -1.368
  114    HB2  ALA  16           2HB      ALA  16  11.654  12.196   0.186
  115    HB3  ALA  16           3HB      ALA  16  12.036  10.857  -0.899
  116    H    ALA  17           H        ALA  17   9.070  10.423  -2.136
  117    HA   ALA  17           HA       ALA  17   7.107  12.443  -1.965
  118    HB1  ALA  17           1HB      ALA  17   7.066  12.110  -4.150
  119    HB2  ALA  17           2HB      ALA  17   8.197  10.773  -3.928
  120    HB3  ALA  17           3HB      ALA  17   6.458  10.468  -3.932
  121    H    PHE  18           H        PHE  18   7.072   9.059  -1.059
  122    HA   PHE  18           HA       PHE  18   4.184   9.100  -0.709
  123    HB2  PHE  18           2HB      PHE  18   5.257   6.997  -1.413
  124    HB3  PHE  18           1HB      PHE  18   6.180   6.967   0.086
  125    HD1  PHE  18           1HD      PHE  18   2.597   7.535  -0.791
  126    HD2  PHE  18           2HD      PHE  18   5.412   5.360   1.549
  127    HE1  PHE  18           1HE      PHE  18   0.753   6.356   0.319
  128    HE2  PHE  18           2HE      PHE  18   3.565   4.170   2.664
  129    HZ   PHE  18           HZ       PHE  18   1.230   4.670   2.048
  130    H    ALA  19           H        ALA  19   7.060   9.628   1.134
  131    HA   ALA  19           HA       ALA  19   5.970   9.316   3.715
  132    HB1  ALA  19           1HB      ALA  19   8.273  11.011   2.780
  133    HB2  ALA  19           2HB      ALA  19   7.874  10.693   4.468
  134    HB3  ALA  19           3HB      ALA  19   8.350   9.366   3.410
  135    H    LYS  20           H        LYS  20   6.180  12.126   1.558
  136    HA   LYS  20           HA       LYS  20   4.969  13.936   3.390
  137    HB2  LYS  20           2HB      LYS  20   4.859  15.478   1.588
  138    HB3  LYS  20           1HB      LYS  20   6.331  14.554   1.333
  139    HG2  LYS  20           2HG      LYS  20   4.618  13.092  -0.132
  140    HG3  LYS  20           1HG      LYS  20   3.865  14.680  -0.274
  141    HD2  LYS  20           2HD      LYS  20   6.749  14.781  -0.623
  142    HD3  LYS  20           1HD      LYS  20   5.967  13.718  -1.794
  143    HE2  LYS  20           2HE      LYS  20   5.858  16.644  -1.515
  144    HE3  LYS  20           1HE      LYS  20   5.697  15.640  -2.953
  145    HZ1  LYS  20           3HZ      LYS  20   3.572  16.093  -0.911
  146    HZ2  LYS  20           1HZ      LYS  20   3.417  15.156  -2.321
  147    HZ3  LYS  20           2HZ      LYS  20   3.645  16.826  -2.437
  148    H    GLN  21           H        GLN  21   3.811  11.525   1.249
  149    HA   GLN  21           HA       GLN  21   1.082  12.363   1.109
  150    HB2  GLN  21           2HB      GLN  21   2.720  10.418  -0.080
  151    HB3  GLN  21           1HB      GLN  21   1.497   9.514   0.794
  152    HG2  GLN  21           2HG      GLN  21  -0.243  10.434  -0.474
  153    HG3  GLN  21           1HG      GLN  21   0.778  11.743  -1.077
  154   HE21  GLN  21          1HE2      GLN  21   3.012   9.848  -1.518
  155   HE22  GLN  21          2HE2      GLN  21   2.609   9.002  -2.968
  156    H    ALA  22           H        ALA  22   3.020  10.353   3.207
  157    HA   ALA  22           HA       ALA  22   0.937   9.000   4.558
  158    HB1  ALA  22           1HB      ALA  22   2.813   8.721   6.329
  159    HB2  ALA  22           2HB      ALA  22   2.997   7.961   4.749
  160    HB3  ALA  22           3HB      ALA  22   3.840   9.468   5.106
  161    H    GLU  23           H        GLU  23   2.131  12.195   4.814
  162    HA   GLU  23           HA       GLU  23   1.222  12.561   7.541
  163    HB2  GLU  23           2HB      GLU  23   2.372  14.483   5.519
  164    HB3  GLU  23           1HB      GLU  23   1.909  14.938   7.152
  165    HG2  GLU  23           2HG      GLU  23   3.516  12.888   7.734
  166    HG3  GLU  23           1HG      GLU  23   4.234  13.382   6.203
  167    H    GLY  24           H        GLY  24  -0.308  12.335   4.658
  168    HA2  GLY  24           1HA      GLY  24  -2.131  14.539   4.832
  169    HA3  GLY  24           2HA      GLY  24  -2.307  13.117   3.811
  170    H    THR  25           H        THR  25  -1.988  11.365   6.219
  171    HA   THR  25           HA       THR  25  -4.512  11.865   7.625
  172    HB   THR  25           HB       THR  25  -3.993   9.049   6.817
  173    HG1  THR  25           1HG      THR  25  -4.228  11.059   5.000
  174   HG21  THR  25          3HG2      THR  25  -5.955   9.154   7.982
  175   HG22  THR  25          1HG2      THR  25  -6.587   9.447   6.362
  176   HG23  THR  25          2HG2      THR  25  -6.307  10.801   7.458
  177    H    THR  26           H        THR  26  -4.713  10.229   9.521
  178    HA   THR  26           HA       THR  26  -2.283  10.098  10.987
  179    HB   THR  26           HB       THR  26  -4.280   8.227  11.927
  180    HG1  THR  26           1HG      THR  26  -6.055   9.486  11.937
  181   HG21  THR  26          3HG2      THR  26  -2.476  10.025  12.986
  182   HG22  THR  26          1HG2      THR  26  -3.681   9.116  13.895
  183   HG23  THR  26          2HG2      THR  26  -4.040  10.756  13.352
  184    H    CYS  27           H        CYS  27  -0.727   8.885   9.994
  185    HA   CYS  27           HA       CYS  27  -1.366   6.058   9.518
  186    HB2  CYS  27           2HB      CYS  27   0.317   7.832   7.745
  187    HB3  CYS  27           1HB      CYS  27   0.043   6.111   7.506
  188    H    ASN  28           H        ASN  28   0.066   4.633  10.277
  189    HA   ASN  28           HA       ASN  28   2.772   5.471  10.964
  190    HB2  ASN  28           2HB      ASN  28   0.666   5.090  12.904
  191    HB3  ASN  28           1HB      ASN  28   1.923   3.879  13.134
  192   HD21  ASN  28          1HD2      ASN  28   2.202   7.230  12.013
  193   HD22  ASN  28          2HD2      ASN  28   3.220   7.753  13.313
  194    H    VAL  29           H        VAL  29   3.481   3.120  12.349
  195    HA   VAL  29           HA       VAL  29   3.848   1.297  10.240
  196    HB   VAL  29           HB       VAL  29   5.181   1.552  12.470
  197   HG11  VAL  29          1HG1      VAL  29   3.858   1.017  14.231
  198   HG12  VAL  29          2HG1      VAL  29   2.871  -0.110  13.297
  199   HG13  VAL  29          3HG1      VAL  29   4.467  -0.597  13.873
  200   HG21  VAL  29          3HG2      VAL  29   4.673  -1.182  11.310
  201   HG22  VAL  29          1HG2      VAL  29   5.727   0.044  10.603
  202   HG23  VAL  29          2HG2      VAL  29   6.116  -0.654  12.176
  203    H    GLY  30           H        GLY  30   2.741  -0.460   9.580
  204    HA2  GLY  30           1HA      GLY  30   1.065  -2.025   9.422
  205    HA3  GLY  30           2HA      GLY  30   0.749  -1.772  11.130
  206    H    SER  31           H        SER  31   0.498   1.236  10.034
  207    HA   SER  31           HA       SER  31  -2.358   0.937   9.384
  208    HB2  SER  31           2HB      SER  31  -1.894   3.579  10.237
  209    HB3  SER  31           1HB      SER  31  -2.724   2.304  11.124
  210    HG   SER  31           HG       SER  31  -0.462   1.659  11.742
  211    H    ILE  32           H        ILE  32   0.573   1.709   8.093
  212    HA   ILE  32           HA       ILE  32  -0.407   3.788   6.316
  213    HB   ILE  32           HB       ILE  32   2.049   3.437   7.464
  214   HG12  ILE  32          2HG1      ILE  32   2.238   4.852   4.924
  215   HG13  ILE  32          1HG1      ILE  32   0.797   5.272   5.846
  216   HG21  ILE  32          1HG2      ILE  32   3.645   2.967   5.650
  217   HG22  ILE  32          2HG2      ILE  32   2.684   1.563   6.115
  218   HG23  ILE  32          3HG2      ILE  32   2.296   2.446   4.639
  219   HD11  ILE  32          3HD1      ILE  32   2.001   6.592   7.134
  220   HD12  ILE  32          1HD1      ILE  32   3.000   5.223   7.627
  221   HD13  ILE  32          2HD1      ILE  32   3.445   6.175   6.211
  222    H    ALA  33           H        ALA  33  -1.005   3.412   4.253
  223    HA   ALA  33           HA       ALA  33  -0.411   0.857   3.011
  224    HB1  ALA  33           1HB      ALA  33  -2.332  -0.154   3.453
  225    HB2  ALA  33           2HB      ALA  33  -2.795   1.203   4.480
  226    HB3  ALA  33           3HB      ALA  33  -3.232   1.200   2.772
  227    H    CYS  34           H        CYS  34  -1.651   0.711   0.878
  228    HA   CYS  34           HA       CYS  34  -2.286   3.304  -0.323
  229    HB2  CYS  34           2HB      CYS  34  -0.165   1.382  -1.199
  230    HB3  CYS  34           1HB      CYS  34  -1.107   2.203  -2.442
  231    H    CYS  35           H        CYS  35  -3.827   3.123  -2.020
  232    HA   CYS  35           HA       CYS  35  -5.031   0.454  -2.255
  233    HB2  CYS  35           2HB      CYS  35  -6.143   2.549  -0.829
  234    HB3  CYS  35           1HB      CYS  35  -6.964   2.638  -2.384
  235    H    ASN  36           H        ASN  36  -6.436   0.201  -4.108
  236    HA   ASN  36           HA       ASN  36  -6.191   2.076  -6.292
  237    HB2  ASN  36           2HB      ASN  36  -4.079   0.635  -6.326
  238    HB3  ASN  36           1HB      ASN  36  -5.129  -0.731  -6.690
  239   HD21  ASN  36          1HD2      ASN  36  -3.542  -0.661  -8.546
  240   HD22  ASN  36          2HD2      ASN  36  -4.055   0.210  -9.958
  241    H    SER  37           H        SER  37  -7.532   1.420  -8.116
  242    HA   SER  37           HA       SER  37 -10.075   0.607  -7.509
  243    HB2  SER  37           2HB      SER  37  -9.225  -0.173 -10.207
  244    HB3  SER  37           1HB      SER  37 -10.441   1.003  -9.702
  245    HG   SER  37           HG       SER  37  -7.734   1.353 -10.252
  246    HA   PRO  38           HA       PRO  38 -10.028  -3.714  -6.620
  247    HB2  PRO  38           2HB      PRO  38 -12.500  -4.283  -7.820
  248    HB3  PRO  38           1HB      PRO  38 -12.239  -3.807  -6.140
  249    HG2  PRO  38           2HG      PRO  38 -13.075  -2.164  -8.473
  250    HG3  PRO  38           1HG      PRO  38 -13.547  -2.025  -6.770
  251    HD2  PRO  38           2HD      PRO  38 -11.810  -0.319  -7.889
  252    HD3  PRO  38           1HD      PRO  38 -11.627  -0.855  -6.205
  253    H    ALA  39           H        ALA  39 -10.886  -2.646  -9.902
  254    HA   ALA  39           HA       ALA  39 -10.681  -5.147 -11.169
  255    HB1  ALA  39           1HB      ALA  39 -10.023  -2.497 -12.436
  256    HB2  ALA  39           2HB      ALA  39 -10.618  -3.958 -13.225
  257    HB3  ALA  39           3HB      ALA  39 -11.668  -3.055 -12.133
  258    H    GLU  40           H        GLU  40  -8.251  -3.094  -9.911
  259    HA   GLU  40           HA       GLU  40  -6.143  -4.264 -11.552
  260    HB2  GLU  40           2HB      GLU  40  -6.045  -2.178  -9.363
  261    HB3  GLU  40           1HB      GLU  40  -4.654  -2.720 -10.290
  262    HG2  GLU  40           2HG      GLU  40  -6.833  -1.875 -11.999
  263    HG3  GLU  40           1HG      GLU  40  -6.317  -0.600 -10.896
  264    H    THR  41           H        THR  41  -6.989  -3.941  -8.118
  265    HA   THR  41           HA       THR  41  -4.940  -5.681  -7.220
  266    HB   THR  41           HB       THR  41  -6.259  -3.852  -5.911
  267    HG1  THR  41           1HG      THR  41  -5.527  -6.350  -4.757
  268   HG21  THR  41          3HG2      THR  41  -7.808  -5.861  -4.543
  269   HG22  THR  41          1HG2      THR  41  -8.327  -5.698  -6.221
  270   HG23  THR  41          2HG2      THR  41  -8.309  -4.287  -5.163
  271    H    ASN  42           H        ASN  42  -8.080  -6.240  -8.494
  272    HA   ASN  42           HA       ASN  42  -8.081  -8.982  -7.444
  273    HB2  ASN  42           2HB      ASN  42 -10.163  -7.039  -8.063
  274    HB3  ASN  42           1HB      ASN  42 -10.480  -8.622  -8.761
  275   HD21  ASN  42          1HD2      ASN  42  -9.267  -7.255  -5.724
  276   HD22  ASN  42          2HD2      ASN  42 -10.190  -8.281  -4.696
  277    H    ASN  43           H        ASN  43  -6.806  -7.536  -9.976
  278    HA   ASN  43           HA       ASN  43  -7.910  -8.859 -12.235
  279    HB2  ASN  43           2HB      ASN  43  -6.209  -6.807 -12.000
  280    HB3  ASN  43           1HB      ASN  43  -5.034  -8.093 -12.269
  281   HD21  ASN  43          1HD2      ASN  43  -7.343  -6.036 -13.657
  282   HD22  ASN  43          2HD2      ASN  43  -7.227  -6.615 -15.288
  283    H    ASP  44           H        ASP  44  -5.392  -9.663  -9.965
  284    HA   ASP  44           HA       ASP  44  -4.819 -12.165 -11.370
  285    HB2  ASP  44           2HB      ASP  44  -2.979 -10.674 -10.438
  286    HB3  ASP  44           1HB      ASP  44  -3.546 -11.124  -8.831
  287    H    SER  45           H        SER  45  -5.517 -14.120 -10.604
  288    HA   SER  45           HA       SER  45  -7.676 -14.197  -8.803
  289    HB2  SER  45           2HB      SER  45  -6.216 -16.727  -9.201
  290    HB3  SER  45           1HB      SER  45  -7.908 -16.334  -9.508
  291    HG   SER  45           HG       SER  45  -7.241 -15.282 -11.433
  292    H    LEU  46           H        LEU  46  -4.249 -14.419  -8.324
  293    HA   LEU  46           HA       LEU  46  -4.580 -15.467  -5.618
  294    HB2  LEU  46           2HB      LEU  46  -2.691 -16.069  -7.289
  295    HB3  LEU  46           1HB      LEU  46  -1.988 -14.538  -6.801
  296    HG   LEU  46           HG       LEU  46  -2.127 -15.393  -4.409
  297   HD11  LEU  46          1HD1      LEU  46  -1.944 -18.038  -4.561
  298   HD12  LEU  46          2HD1      LEU  46  -3.485 -17.216  -4.310
  299   HD13  LEU  46          3HD1      LEU  46  -3.034 -17.776  -5.923
  300   HD21  LEU  46          3HD2      LEU  46  -0.346 -16.748  -6.425
  301   HD22  LEU  46          1HD2      LEU  46  -0.019 -15.253  -5.546
  302   HD23  LEU  46          2HD2      LEU  46  -0.093 -16.790  -4.682
  303    H    LEU  47           H        LEU  47  -4.269 -12.474  -7.262
  304    HA   LEU  47           HA       LEU  47  -2.994 -10.961  -5.235
  305    HB2  LEU  47           2HB      LEU  47  -3.941 -10.508  -7.829
  306    HB3  LEU  47           1HB      LEU  47  -4.839  -9.397  -6.812
  307    HG   LEU  47           HG       LEU  47  -1.835  -9.573  -6.701
  308   HD11  LEU  47          1HD1      LEU  47  -1.904  -7.526  -8.168
  309   HD12  LEU  47          2HD1      LEU  47  -2.261  -9.055  -8.971
  310   HD13  LEU  47          3HD1      LEU  47  -3.573  -7.955  -8.548
  311   HD21  LEU  47          3HD2      LEU  47  -3.946  -7.864  -5.554
  312   HD22  LEU  47          1HD2      LEU  47  -2.360  -8.295  -4.915
  313   HD23  LEU  47          2HD2      LEU  47  -2.505  -7.033  -6.138
  314    H    SER  48           H        SER  48  -6.306 -11.884  -5.802
  315    HA   SER  48           HA       SER  48  -7.529 -10.009  -4.077
  316    HB2  SER  48           2HB      SER  48  -9.162 -12.277  -4.181
  317    HB3  SER  48           1HB      SER  48  -9.239 -10.862  -5.236
  318    HG   SER  48           HG       SER  48  -8.626 -12.122  -6.784
  319    H    GLY  49           H        GLY  49  -5.686 -12.816  -3.469
  320    HA2  GLY  49           1HA      GLY  49  -6.638 -12.914  -0.683
  321    HA3  GLY  49           2HA      GLY  49  -5.668 -14.152  -1.474
  322    H    LEU  50           H        LEU  50  -4.089 -11.820  -2.664
  323    HA   LEU  50           HA       LEU  50  -1.968 -11.943  -0.757
  324    HB2  LEU  50           2HB      LEU  50  -2.321 -11.235  -3.501
  325    HB3  LEU  50           1HB      LEU  50  -1.488  -9.922  -2.694
  326    HG   LEU  50           HG       LEU  50   0.201 -11.565  -1.876
  327   HD11  LEU  50          1HD1      LEU  50  -0.360 -13.715  -1.942
  328   HD12  LEU  50          2HD1      LEU  50  -1.689 -13.410  -3.060
  329   HD13  LEU  50          3HD1      LEU  50  -0.054 -13.650  -3.679
  330   HD21  LEU  50          3HD2      LEU  50  -0.234 -11.169  -4.829
  331   HD22  LEU  50          1HD2      LEU  50   0.821 -10.261  -3.745
  332   HD23  LEU  50          2HD2      LEU  50   1.222 -11.923  -4.178
  333    H    LEU  51           H        LEU  51  -4.550  -9.748  -1.370
  334    HA   LEU  51           HA       LEU  51  -3.317  -7.437  -0.221
  335    HB2  LEU  51           2HB      LEU  51  -5.833  -6.707  -0.121
  336    HB3  LEU  51           1HB      LEU  51  -4.983  -6.800  -1.652
  337    HG   LEU  51           HG       LEU  51  -6.021  -9.312  -1.482
  338   HD11  LEU  51          1HD1      LEU  51  -8.372  -9.066  -0.824
  339   HD12  LEU  51          2HD1      LEU  51  -7.281  -8.804   0.535
  340   HD13  LEU  51          3HD1      LEU  51  -8.041  -7.427  -0.263
  341   HD21  LEU  51          3HD2      LEU  51  -6.785  -6.782  -2.820
  342   HD22  LEU  51          1HD2      LEU  51  -6.310  -8.335  -3.512
  343   HD23  LEU  51          2HD2      LEU  51  -7.945  -8.110  -2.885
  344    H    GLY  52           H        GLY  52  -4.602 -10.250   1.113
  345    HA2  GLY  52           1HA      GLY  52  -4.748  -8.945   3.742
  346    HA3  GLY  52           2HA      GLY  52  -6.073  -9.973   3.218
  347    H    ALA  53           H        ALA  53  -2.712  -9.887   4.195
  348    HA   ALA  53           HA       ALA  53  -2.160 -12.631   3.866
  349    HB1  ALA  53           1HB      ALA  53  -0.319 -12.127   5.599
  350    HB2  ALA  53           2HB      ALA  53  -0.268 -11.280   4.053
  351    HB3  ALA  53           3HB      ALA  53  -0.878 -10.459   5.488
  352    H    GLY  54           H        GLY  54  -3.924 -10.931   6.299
  353    HA2  GLY  54           1HA      GLY  54  -4.431 -13.471   7.635
  354    HA3  GLY  54           2HA      GLY  54  -3.750 -12.187   8.622
  355    H    LEU  55           H        LEU  55  -6.396 -12.659   6.280
  356    HA   LEU  55           HA       LEU  55  -8.614 -12.222   6.370
  357    HB2  LEU  55           2HB      LEU  55  -7.956 -12.430   9.284
  358    HB3  LEU  55           1HB      LEU  55  -9.572 -11.970   8.780
  359    HG   LEU  55           HG       LEU  55  -9.068 -14.227   7.265
  360   HD11  LEU  55          1HD1      LEU  55  -8.453 -15.352   9.849
  361   HD12  LEU  55          2HD1      LEU  55  -7.686 -15.635   8.287
  362   HD13  LEU  55          3HD1      LEU  55  -7.169 -14.280   9.292
  363   HD21  LEU  55          3HD2      LEU  55 -11.178 -14.110   8.125
  364   HD22  LEU  55          1HD2      LEU  55 -10.480 -15.290   9.235
  365   HD23  LEU  55          2HD2      LEU  55 -10.622 -13.600   9.718
  366    H    LEU  56           H        LEU  56  -6.980 -10.071   5.842
  367    HA   LEU  56           HA       LEU  56  -7.608  -7.789   7.426
  368    HB2  LEU  56           2HB      LEU  56  -6.134  -8.356   4.934
  369    HB3  LEU  56           1HB      LEU  56  -6.789  -6.740   5.073
  370    HG   LEU  56           HG       LEU  56  -5.314  -6.127   6.695
  371   HD11  LEU  56          1HD1      LEU  56  -5.762  -7.357   8.550
  372   HD12  LEU  56          2HD1      LEU  56  -5.711  -8.892   7.682
  373   HD13  LEU  56          3HD1      LEU  56  -4.210  -8.077   8.121
  374   HD21  LEU  56          3HD2      LEU  56  -3.496  -8.334   6.091
  375   HD22  LEU  56          1HD2      LEU  56  -4.188  -7.556   4.669
  376   HD23  LEU  56          2HD2      LEU  56  -3.295  -6.598   5.851
  377    H    ASN  57           H        ASN  57  -8.507  -5.764   6.183
  378    HA   ASN  57           HA       ASN  57 -11.061  -6.604   4.998
  379    HB2  ASN  57           2HB      ASN  57 -10.454  -4.757   7.217
  380    HB3  ASN  57           1HB      ASN  57 -11.629  -4.161   6.050
  381   HD21  ASN  57          1HD2      ASN  57 -13.578  -4.432   6.872
  382   HD22  ASN  57          2HD2      ASN  57 -14.167  -5.877   7.629
  383    H    GLY  58           H        GLY  58 -12.069  -4.293   4.112
  384    HA2  GLY  58           1HA      GLY  58 -10.033  -3.465   2.123
  385    HA3  GLY  58           2HA      GLY  58 -11.721  -3.747   1.717
  386    H    LEU  59           H        LEU  59 -11.918  -1.637   0.874
  387    HA   LEU  59           HA       LEU  59 -11.377   0.703   2.377
  388    HB2  LEU  59           2HB      LEU  59 -12.145   0.152  -0.208
  389    HB3  LEU  59           1HB      LEU  59 -13.588   0.890   0.458
  390    HG   LEU  59           HG       LEU  59 -11.853   2.383  -0.746
  391   HD11  LEU  59          1HD1      LEU  59 -12.382   3.617   1.858
  392   HD12  LEU  59          2HD1      LEU  59 -12.860   4.125   0.238
  393   HD13  LEU  59          3HD1      LEU  59 -13.793   2.891   1.087
  394   HD21  LEU  59          3HD2      LEU  59 -10.530   2.059   1.942
  395   HD22  LEU  59          1HD2      LEU  59  -9.863   1.599   0.375
  396   HD23  LEU  59          2HD2      LEU  59 -10.129   3.300   0.755
  397    H    SER  60           H        SER  60 -12.560   1.790   3.849
  398    HA   SER  60           HA       SER  60 -14.680   0.509   5.190
  399    HB2  SER  60           2HB      SER  60 -12.983   2.638   5.707
  400    HB3  SER  60           1HB      SER  60 -14.566   3.401   5.598
  401    HG   SER  60           HG       SER  60 -15.043   2.565   7.457
  402    H    GLY  61           H        GLY  61 -16.532   0.115   4.142
  403    HA2  GLY  61           1HA      GLY  61 -18.748   0.964   3.799
  404    HA3  GLY  61           2HA      GLY  61 -18.041   2.473   3.234
  405    H    ASN  62           H        ASN  62 -16.123   1.330   1.472
  406    HA   ASN  62           HA       ASN  62 -17.940   0.616  -0.704
  407    HB2  ASN  62           2HB      ASN  62 -16.393   2.528  -1.030
  408    HB3  ASN  62           1HB      ASN  62 -15.028   1.435  -0.824
  409   HD21  ASN  62          1HD2      ASN  62 -14.108   1.301  -2.746
  410   HD22  ASN  62          2HD2      ASN  62 -14.918   0.928  -4.232
  411    H    THR  63           H        THR  63 -18.283  -1.536  -0.719
  412    HA   THR  63           HA       THR  63 -16.256  -3.442  -0.041
  413    HB   THR  63           HB       THR  63 -18.393  -4.672  -1.483
  414    HG1  THR  63           1HG      THR  63 -19.945  -3.704   0.312
  415   HG21  THR  63          3HG2      THR  63 -18.887  -5.070   1.198
  416   HG22  THR  63          1HG2      THR  63 -17.164  -4.696   1.171
  417   HG23  THR  63          2HG2      THR  63 -17.790  -6.034   0.208
  418    H    GLY  64           H        GLY  64 -14.720  -2.500  -1.683
  419    HA2  GLY  64           1HA      GLY  64 -14.705  -4.236  -3.994
  420    HA3  GLY  64           2HA      GLY  64 -14.900  -2.533  -4.390
  421    H    SER  65           H        SER  65 -13.263  -1.151  -2.932
  422    HA   SER  65           HA       SER  65 -10.676  -1.884  -3.885
  423    HB2  SER  65           2HB      SER  65 -10.685   0.260  -1.920
  424    HB3  SER  65           1HB      SER  65 -10.266   0.311  -3.635
  425    HG   SER  65           HG       SER  65 -12.293   0.832  -4.137
  426    H    ALA  66           H        ALA  66  -8.950  -2.661  -2.803
  427    HA   ALA  66           HA       ALA  66  -9.186  -3.109   0.093
  428    HB1  ALA  66           1HB      ALA  66  -8.478  -5.032  -2.078
  429    HB2  ALA  66           2HB      ALA  66  -7.653  -5.177  -0.524
  430    HB3  ALA  66           3HB      ALA  66  -9.412  -5.292  -0.603
  431    H    CYS  67           H        CYS  67  -7.391  -2.433   1.240
  432    HA   CYS  67           HA       CYS  67  -5.162  -1.455  -0.410
  433    HB2  CYS  67           2HB      CYS  67  -5.686  -0.243   2.262
  434    HB3  CYS  67           1HB      CYS  67  -5.012   0.486   0.810
  435    H    ALA  68           H        ALA  68  -3.174  -2.085   0.078
  436    HA   ALA  68           HA       ALA  68  -2.884  -3.912   2.359
  437    HB1  ALA  68           1HB      ALA  68  -1.985  -5.282   0.856
  438    HB2  ALA  68           2HB      ALA  68  -1.963  -4.022  -0.379
  439    HB3  ALA  68           3HB      ALA  68  -0.618  -4.172   0.755
  440    H    LYS  69           H        LYS  69  -1.136  -3.724   3.738
  441    HA   LYS  69           HA       LYS  69  -0.270  -0.963   4.026
  442    HB2  LYS  69           2HB      LYS  69   0.665  -2.556   6.189
  443    HB3  LYS  69           1HB      LYS  69  -0.605  -1.343   6.198
  444    HG2  LYS  69           2HG      LYS  69  -1.179  -4.145   5.318
  445    HG3  LYS  69           1HG      LYS  69  -1.132  -3.721   7.028
  446    HD2  LYS  69           2HD      LYS  69  -3.035  -2.454   6.906
  447    HD3  LYS  69           1HD      LYS  69  -2.770  -2.019   5.213
  448    HE2  LYS  69           2HE      LYS  69  -3.769  -3.908   4.427
  449    HE3  LYS  69           1HE      LYS  69  -3.293  -4.873   5.822
  450    HZ1  LYS  69           3HZ      LYS  69  -4.976  -3.417   7.073
  451    HZ2  LYS  69           1HZ      LYS  69  -5.564  -4.644   6.063
  452    HZ3  LYS  69           2HZ      LYS  69  -5.582  -3.041   5.534
  453    H    ALA  70           H        ALA  70   1.962  -0.534   4.773
  454    HA   ALA  70           HA       ALA  70   3.760  -1.317   2.794
  455    HB1  ALA  70           1HB      ALA  70   5.333  -0.431   4.908
  456    HB2  ALA  70           2HB      ALA  70   4.687   0.531   3.578
  457    HB3  ALA  70           3HB      ALA  70   3.792   0.408   5.093
  458    H    SER  71           H        SER  71   3.031  -2.857   5.809
  459    HA   SER  71           HA       SER  71   5.531  -4.238   6.073
  460    HB2  SER  71           2HB      SER  71   3.653  -5.642   7.560
  461    HB3  SER  71           1HB      SER  71   4.633  -4.301   8.156
  462    HG   SER  71           HG       SER  71   2.186  -4.219   8.306
  463    H    LEU  72           H        LEU  72   2.529  -4.657   4.486
  464    HA   LEU  72           HA       LEU  72   2.949  -7.476   3.952
  465    HB2  LEU  72           2HB      LEU  72   0.734  -5.730   4.149
  466    HB3  LEU  72           1HB      LEU  72   0.758  -6.380   2.518
  467    HG   LEU  72           HG       LEU  72   1.242  -8.453   4.455
  468   HD11  LEU  72          1HD1      LEU  72  -1.050  -8.467   5.399
  469   HD12  LEU  72          2HD1      LEU  72  -0.073  -7.115   5.975
  470   HD13  LEU  72          3HD1      LEU  72  -1.299  -6.852   4.734
  471   HD21  LEU  72          3HD2      LEU  72  -0.814  -9.334   3.243
  472   HD22  LEU  72          1HD2      LEU  72  -0.698  -7.874   2.258
  473   HD23  LEU  72          2HD2      LEU  72   0.637  -9.028   2.287
  474    H    ILE  73           H        ILE  73   3.599  -4.463   2.516
  475    HA   ILE  73           HA       ILE  73   3.440  -5.210  -0.192
  476    HB   ILE  73           HB       ILE  73   4.639  -2.936   1.296
  477   HG12  ILE  73          2HG1      ILE  73   3.273  -2.507  -1.260
  478   HG13  ILE  73          1HG1      ILE  73   2.317  -3.424  -0.100
  479   HG21  ILE  73          1HG2      ILE  73   6.509  -3.202  -0.051
  480   HG22  ILE  73          2HG2      ILE  73   5.564  -3.810  -1.410
  481   HG23  ILE  73          3HG2      ILE  73   5.504  -2.097  -0.992
  482   HD11  ILE  73          3HD1      ILE  73   2.010  -1.654   1.243
  483   HD12  ILE  73          1HD1      ILE  73   3.627  -1.010   0.954
  484   HD13  ILE  73          2HD1      ILE  73   2.346  -0.746  -0.231
  485    H    ASP  74           H        ASP  74   6.045  -5.351   2.191
  486    HA   ASP  74           HA       ASP  74   7.888  -6.534   0.292
  487    HB2  ASP  74           2HB      ASP  74   8.185  -5.152   2.706
  488    HB3  ASP  74           1HB      ASP  74   8.691  -6.803   3.060
  489    H    GLN  75           H        GLN  75   5.243  -7.719   1.542
  490    HA   GLN  75           HA       GLN  75   6.278 -10.218   2.591
  491    HB2  GLN  75           2HB      GLN  75   3.963  -8.782   3.076
  492    HB3  GLN  75           1HB      GLN  75   3.404 -10.121   2.084
  493    HG2  GLN  75           2HG      GLN  75   3.313 -10.534   4.534
  494    HG3  GLN  75           1HG      GLN  75   4.252 -11.722   3.628
  495   HE21  GLN  75          1HE2      GLN  75   4.983  -8.486   4.847
  496   HE22  GLN  75          2HE2      GLN  75   6.376  -8.950   5.732
  497    H    LEU  76           H        LEU  76   4.220  -9.165  -0.133
  498    HA   LEU  76           HA       LEU  76   4.989 -11.644  -1.494
  499    HB2  LEU  76           2HB      LEU  76   2.164 -10.618  -1.433
  500    HB3  LEU  76           1HB      LEU  76   2.735 -12.117  -2.141
  501    HG   LEU  76           HG       LEU  76   3.461 -12.087   0.619
  502   HD11  LEU  76          1HD1      LEU  76   0.877 -10.871   0.037
  503   HD12  LEU  76          2HD1      LEU  76   0.777 -12.267   1.112
  504   HD13  LEU  76          3HD1      LEU  76   1.812 -10.902   1.535
  505   HD21  LEU  76          3HD2      LEU  76   1.290 -13.739  -0.623
  506   HD22  LEU  76          1HD2      LEU  76   2.990 -13.997  -1.018
  507   HD23  LEU  76          2HD2      LEU  76   2.434 -14.177   0.646
  508    H    GLY  77           H        GLY  77   4.950  -8.348  -1.726
  509    HA2  GLY  77           1HA      GLY  77   5.574  -7.086  -3.576
  510    HA3  GLY  77           2HA      GLY  77   5.394  -8.515  -4.576
  511    H    LEU  78           H        LEU  78   3.176  -6.600  -2.548
  512    HA   LEU  78           HA       LEU  78   0.960  -6.958  -4.274
  513    HB2  LEU  78           2HB      LEU  78   1.560  -5.305  -1.869
  514    HB3  LEU  78           1HB      LEU  78   0.158  -4.878  -2.828
  515    HG   LEU  78           HG       LEU  78  -0.413  -6.303  -0.915
  516   HD11  LEU  78          1HD1      LEU  78  -0.899  -7.201  -3.706
  517   HD12  LEU  78          2HD1      LEU  78  -1.467  -8.210  -2.375
  518   HD13  LEU  78          3HD1      LEU  78  -2.023  -6.543  -2.517
  519   HD21  LEU  78          3HD2      LEU  78   0.360  -8.851  -1.682
  520   HD22  LEU  78          1HD2      LEU  78   1.810  -7.871  -1.902
  521   HD23  LEU  78          2HD2      LEU  78   1.005  -7.915  -0.333
  522    H    LEU  79           H        LEU  79   2.296  -6.248  -6.239
  523    HA   LEU  79           HA       LEU  79   2.955  -3.507  -6.602
  524    HB2  LEU  79           2HB      LEU  79   3.413  -4.139  -8.907
  525    HB3  LEU  79           1HB      LEU  79   4.100  -5.295  -7.781
  526    HG   LEU  79           HG       LEU  79   1.506  -6.223  -8.490
  527   HD11  LEU  79          1HD1      LEU  79   1.246  -5.913 -10.681
  528   HD12  LEU  79          2HD1      LEU  79   2.451  -4.634 -10.535
  529   HD13  LEU  79          3HD1      LEU  79   2.943  -6.259 -11.015
  530   HD21  LEU  79          3HD2      LEU  79   3.492  -7.544  -7.776
  531   HD22  LEU  79          1HD2      LEU  79   2.702  -8.165  -9.225
  532   HD23  LEU  79          2HD2      LEU  79   4.202  -7.250  -9.363
  533    H    ALA  80           H        ALA  80  -0.051  -4.899  -6.516
  534    HA   ALA  80           HA       ALA  80  -1.235  -3.568  -8.776
  535    HB1  ALA  80           1HB      ALA  80  -2.106  -5.708  -7.983
  536    HB2  ALA  80           2HB      ALA  80  -2.564  -4.957  -6.454
  537    HB3  ALA  80           3HB      ALA  80  -3.346  -4.454  -7.953
  538    H    LEU  81           H        LEU  81  -0.791  -2.872  -5.389
  539    HA   LEU  81           HA       LEU  81  -2.698  -0.649  -5.584
  540    HB2  LEU  81           2HB      LEU  81  -1.415  -1.753  -3.089
  541    HB3  LEU  81           1HB      LEU  81  -2.768  -0.638  -3.186
  542    HG   LEU  81           HG       LEU  81  -2.858  -3.479  -4.192
  543   HD11  LEU  81          1HD1      LEU  81  -3.114  -2.374  -1.507
  544   HD12  LEU  81          2HD1      LEU  81  -4.503  -3.338  -2.014
  545   HD13  LEU  81          3HD1      LEU  81  -2.886  -4.042  -2.037
  546   HD21  LEU  81          3HD2      LEU  81  -4.832  -2.940  -5.047
  547   HD22  LEU  81          1HD2      LEU  81  -5.376  -2.314  -3.491
  548   HD23  LEU  81          2HD2      LEU  81  -4.532  -1.256  -4.622
  549    H    VAL  82           H        VAL  82   0.634  -1.389  -5.313
  550    HA   VAL  82           HA       VAL  82   1.234   1.437  -4.773
  551    HB   VAL  82           HB       VAL  82   3.540  -0.351  -4.718
  552   HG11  VAL  82          1HG1      VAL  82   2.332   1.681  -2.858
  553   HG12  VAL  82          2HG1      VAL  82   3.786   0.766  -2.457
  554   HG13  VAL  82          3HG1      VAL  82   3.777   1.835  -3.860
  555   HG21  VAL  82          3HG2      VAL  82   1.133  -1.166  -3.277
  556   HG22  VAL  82          1HG2      VAL  82   2.600  -2.074  -3.646
  557   HG23  VAL  82          2HG2      VAL  82   2.556  -0.995  -2.250
  558    H    ASP  83           H        ASP  83   2.371   2.598  -6.215
  559    HA   ASP  83           HA       ASP  83   3.176   1.212  -8.682
  560    HB2  ASP  83           2HB      ASP  83   1.370   3.080  -8.742
  561    HB3  ASP  83           1HB      ASP  83   2.733   4.181  -8.567
  562    H    HIS  84           H        HIS  84   5.094   2.100  -9.768
  563    HA   HIS  84           HA       HIS  84   6.993   3.021  -7.729
  564    HB2  HIS  84           2HB      HIS  84   7.177   0.612  -8.818
  565    HB3  HIS  84           1HB      HIS  84   7.990   1.516 -10.095
  566    HD1  HIS  84           1HD      HIS  84  10.011   3.138  -9.138
  567    HD2  HIS  84           2HD      HIS  84   8.842  -0.090  -6.790
  568    HE1  HIS  84           1HE      HIS  84  11.839   2.836  -7.441
  569    HE2  HIS  84           2HE      HIS  84  11.209   0.747  -6.167
  570    H    THR  85           H        THR  85   7.599   4.997  -8.038
  571    HA   THR  85           HA       THR  85   8.001   5.971 -10.787
  572    HB   THR  85           HB       THR  85   8.149   8.243  -9.509
  573    HG1  THR  85           1HG      THR  85   6.465   6.917  -7.674
  574   HG21  THR  85          3HG2      THR  85   5.369   7.442  -9.269
  575   HG22  THR  85          1HG2      THR  85   6.087   6.879 -10.779
  576   HG23  THR  85          2HG2      THR  85   6.115   8.596 -10.374
  577    H    GLU  86           H        GLU  86   9.850   7.917 -10.462
  578    HA   GLU  86           HA       GLU  86  12.220   6.405 -10.192
  579    HB2  GLU  86           2HB      GLU  86  11.558   9.238 -10.764
  580    HB3  GLU  86           1HB      GLU  86  13.190   8.895 -10.201
  581    HG2  GLU  86           2HG      GLU  86  11.824   7.812 -12.651
  582    HG3  GLU  86           1HG      GLU  86  13.242   8.858 -12.569
  583    H    GLU  87           H        GLU  87  10.442   8.392  -7.970
  584    HA   GLU  87           HA       GLU  87  12.512   8.750  -6.073
  585    HB2  GLU  87           2HB      GLU  87  10.349   9.000  -4.534
  586    HB3  GLU  87           1HB      GLU  87  10.917  10.272  -5.612
  587    HG2  GLU  87           2HG      GLU  87   9.169   8.326  -6.863
  588    HG3  GLU  87           1HG      GLU  87   8.408   9.262  -5.576
  589    H    GLY  88           H        GLY  88   9.992   6.330  -6.499
  590    HA2  GLY  88           1HA      GLY  88  11.141   4.121  -5.549
  591    HA3  GLY  88           2HA      GLY  88  10.772   4.965  -4.050
  592    HA   PRO  89           HA       PRO  89   6.997   2.487  -5.050
  593    HB2  PRO  89           2HB      PRO  89   7.046   1.910  -2.185
  594    HB3  PRO  89           1HB      PRO  89   7.047   0.783  -3.544
  595    HG2  PRO  89           2HG      PRO  89   9.203   1.131  -1.949
  596    HG3  PRO  89           1HG      PRO  89   9.348   0.733  -3.671
  597    HD2  PRO  89           2HD      PRO  89   9.635   3.386  -2.309
  598    HD3  PRO  89           1HD      PRO  89  10.618   2.679  -3.610
  599    H    VAL  90           H        VAL  90   5.205   3.667  -5.110
  600    HA   VAL  90           HA       VAL  90   4.518   5.414  -2.847
  601    HB   VAL  90           HB       VAL  90   3.787   7.113  -4.675
  602   HG11  VAL  90          1HG1      VAL  90   5.856   7.029  -2.975
  603   HG12  VAL  90          2HG1      VAL  90   6.737   7.077  -4.503
  604   HG13  VAL  90          3HG1      VAL  90   5.589   8.355  -4.106
  605   HG21  VAL  90          3HG2      VAL  90   4.298   5.510  -6.537
  606   HG22  VAL  90          1HG2      VAL  90   5.039   7.102  -6.712
  607   HG23  VAL  90          2HG2      VAL  90   6.012   5.730  -6.175
  608    H    CYS  91           H        CYS  91   2.234   6.334  -3.190
  609    HA   CYS  91           HA       CYS  91   0.471   4.161  -3.565
  610    HB2  CYS  91           2HB      CYS  91   0.264   6.953  -2.734
  611    HB3  CYS  91           1HB      CYS  91  -1.140   6.408  -3.645
  612    H    LYS  92           H        LYS  92  -0.586   3.461  -5.284
  613    HA   LYS  92           HA       LYS  92   0.261   4.284  -7.850
  614    HB2  LYS  92           2HB      LYS  92  -0.608   1.983  -6.925
  615    HB3  LYS  92           1HB      LYS  92  -2.176   2.608  -7.414
  616    HG2  LYS  92           2HG      LYS  92  -1.758   2.318  -9.594
  617    HG3  LYS  92           1HG      LYS  92  -0.068   2.819  -9.447
  618    HD2  LYS  92           2HD      LYS  92   0.402   0.623  -8.354
  619    HD3  LYS  92           1HD      LYS  92  -1.253   0.141  -8.738
  620    HE2  LYS  92           2HE      LYS  92  -0.638  -0.444 -10.794
  621    HE3  LYS  92           1HE      LYS  92  -0.013   1.176 -11.096
  622    HZ1  LYS  92           3HZ      LYS  92   1.517  -0.956 -11.156
  623    HZ2  LYS  92           1HZ      LYS  92   1.642  -0.621  -9.498
  624    HZ3  LYS  92           2HZ      LYS  92   2.102   0.553 -10.632
  625    H    ASN  93           H        ASN  93  -2.978   4.190  -6.448
  626    HA   ASN  93           HA       ASN  93  -3.758   6.329  -8.304
  627    HB2  ASN  93           2HB      ASN  93  -4.740   3.638  -8.070
  628    HB3  ASN  93           1HB      ASN  93  -6.032   4.778  -7.728
  629   HD21  ASN  93          1HD2      ASN  93  -3.533   3.964 -10.058
  630   HD22  ASN  93          2HD2      ASN  93  -4.355   4.578 -11.446
  631    H    ILE  94           H        ILE  94  -5.018   4.595  -5.450
  632    HA   ILE  94           HA       ILE  94  -6.111   7.157  -4.525
  633    HB   ILE  94           HB       ILE  94  -6.987   4.420  -3.618
  634   HG12  ILE  94          2HG1      ILE  94  -8.700   5.957  -5.484
  635   HG13  ILE  94          1HG1      ILE  94  -7.260   5.226  -6.185
  636   HG21  ILE  94          1HG2      ILE  94  -8.965   5.582  -2.850
  637   HG22  ILE  94          2HG2      ILE  94  -7.519   6.316  -2.157
  638   HG23  ILE  94          3HG2      ILE  94  -8.349   7.101  -3.500
  639   HD11  ILE  94          3HD1      ILE  94  -8.947   3.643  -6.479
  640   HD12  ILE  94          1HD1      ILE  94  -8.030   3.063  -5.089
  641   HD13  ILE  94          2HD1      ILE  94  -9.575   3.878  -4.847
  642    H    VAL  95           H        VAL  95  -5.048   8.069  -2.909
  643    HA   VAL  95           HA       VAL  95  -3.281   6.561  -1.215
  644    HB   VAL  95           HB       VAL  95  -2.512   8.743  -1.735
  645   HG11  VAL  95          1HG1      VAL  95  -4.982   9.977  -0.546
  646   HG12  VAL  95          2HG1      VAL  95  -3.706  10.763  -1.477
  647   HG13  VAL  95          3HG1      VAL  95  -4.809   9.637  -2.269
  648   HG21  VAL  95          3HG2      VAL  95  -2.642   9.899   0.605
  649   HG22  VAL  95          1HG2      VAL  95  -3.430   8.395   1.085
  650   HG23  VAL  95          2HG2      VAL  95  -1.797   8.361   0.421
  651    H    ALA  96           H        ALA  96  -4.018   5.383   0.395
  652    HA   ALA  96           HA       ALA  96  -6.050   6.416   2.190
  653    HB1  ALA  96           1HB      ALA  96  -6.546   3.694   1.050
  654    HB2  ALA  96           2HB      ALA  96  -7.674   4.804   1.827
  655    HB3  ALA  96           3HB      ALA  96  -7.113   5.123   0.185
  656    H    CYS  97           H        CYS  97  -5.817   5.580   4.245
  657    HA   CYS  97           HA       CYS  97  -3.531   3.770   4.565
  658    HB2  CYS  97           2HB      CYS  97  -4.461   6.139   6.050
  659    HB3  CYS  97           1HB      CYS  97  -3.894   4.804   7.052
  660    H    CYS  98           H        CYS  98  -3.604   2.169   6.261
  661    HA   CYS  98           HA       CYS  98  -6.275   1.172   6.861
  662    HB2  CYS  98           2HB      CYS  98  -5.543   0.536   4.468
  663    HB3  CYS  98           1HB      CYS  98  -4.376  -0.519   5.256
  664    HA   PRO  99           HA       PRO  99  -3.811  -0.489  10.192
  665    HB2  PRO  99           2HB      PRO  99  -5.763  -1.642  11.599
  666    HB3  PRO  99           1HB      PRO  99  -5.687   0.118  11.436
  667    HG2  PRO  99           2HG      PRO  99  -7.392  -1.847   9.958
  668    HG3  PRO  99           1HG      PRO  99  -7.846  -0.285  10.664
  669    HD2  PRO  99           2HD      PRO  99  -7.261  -0.654   8.006
  670    HD3  PRO  99           1HD      PRO  99  -7.080   0.894   8.855
  671    H    GLU 100           H        GLU 100  -2.917  -2.493  10.805
  672    HA   GLU 100           HA       GLU 100  -3.540  -4.730   9.055
  673    HB2  GLU 100           2HB      GLU 100  -1.220  -3.836  10.468
  674    HB3  GLU 100           1HB      GLU 100  -1.611  -5.462  11.009
  675    HG2  GLU 100           2HG      GLU 100  -1.573  -4.883   8.088
  676    HG3  GLU 100           1HG      GLU 100  -0.045  -5.071   8.948
  677    H    GLY 101           H        GLY 101  -3.908  -6.882   9.930
  678    HA2  GLY 101           1HA      GLY 101  -4.664  -8.341  11.637
  679    HA3  GLY 101           2HA      GLY 101  -5.057  -6.941  12.627
  680    H    THR 102           H        THR 102  -6.668  -5.432  11.222
  681    HA   THR 102           HA       THR 102  -8.669  -6.657   9.692
  682    HB   THR 102           HB       THR 102  -9.016  -7.911  11.850
  683    HG1  THR 102           1HG      THR 102 -10.915  -8.037  10.931
  684   HG21  THR 102          3HG2      THR 102  -9.525  -6.912  13.819
  685   HG22  THR 102          1HG2      THR 102 -10.394  -5.585  13.046
  686   HG23  THR 102          2HG2      THR 102  -8.630  -5.571  13.105
  687    H    THR 103           H        THR 103 -10.874  -5.303  10.303
  688    HA   THR 103           HA       THR 103 -11.937  -3.308  10.205
  689    HB   THR 103           HB       THR 103  -9.458  -1.793  10.986
  690    HG1  THR 103           1HG      THR 103  -9.533  -3.428  12.506
  691   HG21  THR 103          3HG2      THR 103 -12.418  -1.424  11.265
  692   HG22  THR 103          1HG2      THR 103 -11.214  -0.318  10.608
  693   HG23  THR 103          2HG2      THR 103 -11.306  -0.587  12.349
  694    H    ASN 104           H        ASN 104 -12.225  -1.600   8.802
  695    HA   ASN 104           HA       ASN 104 -11.033  -2.090   6.260
  696    HB2  ASN 104           2HB      ASN 104 -12.784   0.276   6.832
  697    HB3  ASN 104           1HB      ASN 104 -12.659  -0.681   5.361
  698   HD21  ASN 104          1HD2      ASN 104 -14.748   0.092   7.573
  699   HD22  ASN 104          2HD2      ASN 104 -15.641  -1.388   7.743
  700    H    CYS 105           H        CYS 105 -10.492  -0.148   4.883
  701    HA   CYS 105           HA       CYS 105  -8.592   1.577   6.332
  702    HB2  CYS 105           2HB      CYS 105  -8.457   1.415   3.380
  703    HB3  CYS 105           1HB      CYS 105  -7.159   1.381   4.570
  704    H    VAL 106           H        VAL 106  -8.542   3.800   5.853
  705    HA   VAL 106           HA       VAL 106 -11.084   4.785   4.778
  706    HB   VAL 106           HB       VAL 106 -11.076   6.506   6.266
  707   HG11  VAL 106          1HG1      VAL 106 -10.890   4.398   7.552
  708   HG12  VAL 106          2HG1      VAL 106  -9.159   4.689   7.715
  709   HG13  VAL 106          3HG1      VAL 106 -10.313   5.812   8.436
  710   HG21  VAL 106          3HG2      VAL 106  -9.318   7.881   5.792
  711   HG22  VAL 106          1HG2      VAL 106  -8.754   7.243   7.337
  712   HG23  VAL 106          2HG2      VAL 106  -8.137   6.571   5.827
  713    H    ALA 107           H        ALA 107 -11.166   6.228   3.129
  714    HA   ALA 107           HA       ALA 107  -8.611   6.826   1.799
  715    HB1  ALA 107           1HB      ALA 107 -10.208   7.166  -0.228
  716    HB2  ALA 107           2HB      ALA 107  -9.772   5.531   0.270
  717    HB3  ALA 107           3HB      ALA 107 -11.336   6.207   0.729
  718    H    VAL 108           H        VAL 108  -8.005   8.841   2.212
  719    HA   VAL 108           HA       VAL 108  -9.864  10.769   3.193
  720    HB   VAL 108           HB       VAL 108  -7.450  10.468   3.936
  721   HG11  VAL 108          1HG1      VAL 108  -5.907  12.070   2.628
  722   HG12  VAL 108          2HG1      VAL 108  -6.185  10.441   2.003
  723   HG13  VAL 108          3HG1      VAL 108  -7.044  11.814   1.303
  724   HG21  VAL 108          3HG2      VAL 108  -7.170  12.863   4.424
  725   HG22  VAL 108          1HG2      VAL 108  -8.450  13.233   3.269
  726   HG23  VAL 108          2HG2      VAL 108  -8.816  12.305   4.723
  727    H    ASP 109           H        ASP 109  -9.165   9.822   0.198
  728    HA   ASP 109           HA       ASP 109  -9.850  12.426  -0.989
  729    HB2  ASP 109           2HB      ASP 109  -7.833  12.134  -1.996
  730    HB3  ASP 109           1HB      ASP 109  -7.833  10.395  -1.733
  731    H    ASN 110           H        ASN 110 -10.562   9.094  -0.683
  732    HA   ASN 110           HA       ASN 110 -12.327   7.811  -1.281
  733    HB2  ASN 110           2HB      ASN 110 -13.308  10.441  -2.210
  734    HB3  ASN 110           1HB      ASN 110 -14.031   9.031  -2.977
  735   HD21  ASN 110          1HD2      ASN 110 -13.400  10.576   0.113
  736   HD22  ASN 110          2HD2      ASN 110 -14.722   9.844   0.963
  737    H    ALA 111           H        ALA 111 -11.561   9.907  -3.995
  738    HA   ALA 111           HA       ALA 111 -10.107   8.029  -5.468
  739    HB1  ALA 111           1HB      ALA 111 -12.996   7.766  -5.743
  740    HB2  ALA 111           2HB      ALA 111 -12.182   8.041  -7.284
  741    HB3  ALA 111           3HB      ALA 111 -11.706   6.683  -6.265
  742    H    GLY 112           H        GLY 112  -8.789   9.575  -6.242
  743    HA2  GLY 112           1HA      GLY 112  -9.189  10.874  -8.564
  744    HA3  GLY 112           2HA      GLY 112  -9.860  12.006  -7.398
  745    H    ALA 113           H        ALA 113  -7.735  10.915  -5.443
  746    HA   ALA 113           HA       ALA 113  -5.534  12.554  -6.526
  747    HB1  ALA 113           1HB      ALA 113  -6.401  13.920  -4.875
  748    HB2  ALA 113           2HB      ALA 113  -6.797  12.566  -3.816
  749    HB3  ALA 113           3HB      ALA 113  -5.117  13.063  -4.023
  750    H    GLY 114           H        GLY 114  -3.609  11.661  -6.575
  751    HA2  GLY 114           1HA      GLY 114  -2.559   9.921  -4.634
  752    HA3  GLY 114           2HA      GLY 114  -3.120   8.981  -6.014
  753    H    THR 115           H        THR 115  -0.815   8.423  -6.200
  754    HA   THR 115           HA       THR 115   1.218   8.573  -7.173
  755    HB   THR 115           HB       THR 115   0.329  10.775  -8.983
  756    HG1  THR 115           1HG      THR 115  -0.759   8.130  -8.980
  757   HG21  THR 115          3HG2      THR 115   2.463   9.768  -9.429
  758   HG22  THR 115          1HG2      THR 115   1.338   9.216 -10.670
  759   HG23  THR 115          2HG2      THR 115   1.774   8.147  -9.336
  760    H    LYS 116           H        LYS 116   1.027  10.019  -4.851
  761    HA   LYS 116           HA       LYS 116   2.461  11.263  -3.603
  762    HB2  LYS 116           2HB      LYS 116   3.877  12.165  -6.106
  763    HB3  LYS 116           1HB      LYS 116   4.509  12.081  -4.468
  764    HG2  LYS 116           2HG      LYS 116   4.740   9.771  -4.540
  765    HG3  LYS 116           1HG      LYS 116   3.620   9.605  -5.893
  766    HD2  LYS 116           2HD      LYS 116   6.412  10.755  -5.974
  767    HD3  LYS 116           1HD      LYS 116   5.868   9.231  -6.676
  768    HE2  LYS 116           2HE      LYS 116   4.884  10.246  -8.460
  769    HE3  LYS 116           1HE      LYS 116   4.424  11.672  -7.532
  770    HZ1  LYS 116           3HZ      LYS 116   6.711  11.255  -9.177
  771    HZ2  LYS 116           1HZ      LYS 116   7.173  11.725  -7.613
  772    HZ3  LYS 116           2HZ      LYS 116   6.113  12.697  -8.519
  773    H    ALA 117           H        ALA 117   0.089  12.368  -5.260
  774    HA   ALA 117           HA       ALA 117   0.653  15.135  -5.630
  775    HB1  ALA 117           1HB      ALA 117  -1.695  15.388  -6.086
  776    HB2  ALA 117           2HB      ALA 117  -1.114  13.916  -6.864
  777    HB3  ALA 117           3HB      ALA 117  -2.045  13.815  -5.368
  778    H    GLU 118           H        GLU 118   1.254  16.282  -3.925
  779    HA   GLU 118           HA       GLU 118  -0.760  16.938  -1.979
  780    HB2  GLU 118           2HB      GLU 118   0.327  15.059  -0.830
  781    HB3  GLU 118           1HB      GLU 118   1.902  15.802  -1.065
  782    HG2  GLU 118           2HG      GLU 118   0.094  17.607   0.276
  783    HG3  GLU 118           1HG      GLU 118   0.217  16.072   1.132
  Start of MODEL   12
    1    H1   SER   1           1H       SER   1  17.330 -19.181  -1.573
    2    H2   SER   1           2H       SER   1  16.460 -18.080  -2.520
    3    H3   SER   1           3H       SER   1  18.126 -18.289  -2.772
    4    HA   SER   1           HA       SER   1  17.897 -20.240  -3.863
    5    HB2  SER   1           2HB      SER   1  15.121 -20.726  -2.821
    6    HB3  SER   1           1HB      SER   1  16.326 -21.894  -3.363
    7    HG   SER   1           HG       SER   1  16.672 -22.092  -1.295
    8    H    LEU   2           H        LEU   2  17.409 -17.733  -4.800
    9    HA   LEU   2           HA       LEU   2  15.583 -18.188  -6.974
   10    HB2  LEU   2           2HB      LEU   2  14.658 -16.838  -4.643
   11    HB3  LEU   2           1HB      LEU   2  14.847 -15.636  -5.905
   12    HG   LEU   2           HG       LEU   2  13.471 -18.018  -6.858
   13   HD11  LEU   2          1HD1      LEU   2  11.403 -16.847  -5.457
   14   HD12  LEU   2          2HD1      LEU   2  12.159 -18.398  -5.094
   15   HD13  LEU   2          3HD1      LEU   2  12.706 -16.938  -4.270
   16   HD21  LEU   2          3HD2      LEU   2  13.061 -15.048  -6.856
   17   HD22  LEU   2          1HD2      LEU   2  13.358 -16.130  -8.216
   18   HD23  LEU   2          2HD2      LEU   2  11.789 -16.137  -7.410
   19    HA   PRO   3           HA       PRO   3  18.584 -15.538  -8.993
   20    HB2  PRO   3           2HB      PRO   3  16.208 -14.557 -10.494
   21    HB3  PRO   3           1HB      PRO   3  17.746 -15.173 -11.106
   22    HG2  PRO   3           2HG      PRO   3  15.545 -16.663 -11.219
   23    HG3  PRO   3           1HG      PRO   3  17.117 -17.392 -10.835
   24    HD2  PRO   3           2HD      PRO   3  14.832 -16.741  -9.028
   25    HD3  PRO   3           1HD      PRO   3  15.957 -18.112  -8.976
   26    H    ALA   4           H        ALA   4  15.374 -14.091  -8.532
   27    HA   ALA   4           HA       ALA   4  14.642 -12.176  -7.574
   28    HB1  ALA   4           1HB      ALA   4  16.567 -11.543  -5.661
   29    HB2  ALA   4           2HB      ALA   4  15.108 -12.509  -5.434
   30    HB3  ALA   4           3HB      ALA   4  16.635 -13.295  -5.828
   31    H    SER   5           H        SER   5  16.535 -11.927  -9.856
   32    HA   SER   5           HA       SER   5  17.981  -9.496  -9.441
   33    HB2  SER   5           2HB      SER   5  17.381  -9.857 -12.194
   34    HB3  SER   5           1HB      SER   5  18.898 -10.220 -11.366
   35    HG   SER   5           HG       SER   5  18.317 -12.163 -12.117
   36    H    ALA   6           H        ALA   6  14.932 -10.391 -10.980
   37    HA   ALA   6           HA       ALA   6  13.942  -7.662 -10.518
   38    HB1  ALA   6           1HB      ALA   6  13.465  -9.320 -13.001
   39    HB2  ALA   6           2HB      ALA   6  12.717  -7.763 -12.647
   40    HB3  ALA   6           3HB      ALA   6  14.460  -7.866 -12.899
   41    H    ALA   7           H        ALA   7  13.506  -9.422  -8.638
   42    HA   ALA   7           HA       ALA   7  10.722 -10.255  -9.000
   43    HB1  ALA   7           1HB      ALA   7  12.034 -12.155  -7.319
   44    HB2  ALA   7           2HB      ALA   7  11.182 -12.422  -8.839
   45    HB3  ALA   7           3HB      ALA   7  12.904 -12.045  -8.850
   46    H    LYS   8           H        LYS   8   9.462  -9.668  -7.356
   47    HA   LYS   8           HA       LYS   8   8.751  -8.842  -5.368
   48    HB2  LYS   8           2HB      LYS   8  10.582 -10.824  -4.691
   49    HB3  LYS   8           1HB      LYS   8  11.094  -9.434  -3.741
   50    HG2  LYS   8           2HG      LYS   8   9.562 -10.039  -2.260
   51    HG3  LYS   8           1HG      LYS   8   8.350  -9.483  -3.415
   52    HD2  LYS   8           2HD      LYS   8   7.721 -11.579  -3.954
   53    HD3  LYS   8           1HD      LYS   8   9.376 -12.195  -3.903
   54    HE2  LYS   8           2HE      LYS   8   9.179 -12.880  -1.775
   55    HE3  LYS   8           1HE      LYS   8   8.311 -11.425  -1.289
   56    HZ1  LYS   8           3HZ      LYS   8   6.815 -13.189  -1.020
   57    HZ2  LYS   8           1HZ      LYS   8   7.211 -13.886  -2.513
   58    HZ3  LYS   8           2HZ      LYS   8   6.335 -12.436  -2.462
   59    H    ASN   9           H        ASN   9   9.772  -7.030  -7.020
   60    HA   ASN   9           HA       ASN   9  11.823  -5.418  -5.817
   61    HB2  ASN   9           2HB      ASN   9  10.943  -3.764  -7.650
   62    HB3  ASN   9           1HB      ASN   9  11.830  -5.207  -8.128
   63   HD21  ASN   9          1HD2      ASN   9   8.679  -3.727  -7.921
   64   HD22  ASN   9          2HD2      ASN   9   7.902  -4.773  -9.057
   65    H    ALA  10           H        ALA  10  10.287  -5.601  -3.797
   66    HA   ALA  10           HA       ALA  10   8.617  -3.177  -3.733
   67    HB1  ALA  10           1HB      ALA  10   7.034  -4.716  -3.233
   68    HB2  ALA  10           2HB      ALA  10   8.202  -5.883  -2.617
   69    HB3  ALA  10           3HB      ALA  10   7.702  -4.522  -1.613
   70    H    LYS  11           H        LYS  11  10.023  -1.693  -2.990
   71    HA   LYS  11           HA       LYS  11  11.634  -2.328  -0.631
   72    HB2  LYS  11           2HB      LYS  11  11.739  -0.108  -2.660
   73    HB3  LYS  11           1HB      LYS  11  12.619  -0.005  -1.144
   74    HG2  LYS  11           2HG      LYS  11  13.675  -2.229  -1.778
   75    HG3  LYS  11           1HG      LYS  11  13.002  -1.965  -3.387
   76    HD2  LYS  11           2HD      LYS  11  14.173   0.384  -3.117
   77    HD3  LYS  11           1HD      LYS  11  15.175  -0.502  -1.966
   78    HE2  LYS  11           2HE      LYS  11  14.919  -2.116  -4.272
   79    HE3  LYS  11           1HE      LYS  11  15.296  -0.487  -4.823
   80    HZ1  LYS  11           3HZ      LYS  11  17.054  -0.692  -2.874
   81    HZ2  LYS  11           1HZ      LYS  11  17.388  -1.224  -4.451
   82    HZ3  LYS  11           2HZ      LYS  11  16.918  -2.338  -3.261
   83    H    LEU  12           H        LEU  12   9.700   0.446  -1.771
   84    HA   LEU  12           HA       LEU  12   8.035   1.646  -0.818
   85    HB2  LEU  12           2HB      LEU  12   7.880  -0.817   0.538
   86    HB3  LEU  12           1HB      LEU  12   7.761   0.429   1.763
   87    HG   LEU  12           HG       LEU  12   5.641  -0.553   0.424
   88   HD11  LEU  12          1HD1      LEU  12   4.955   2.110   0.875
   89   HD12  LEU  12          2HD1      LEU  12   4.777   0.755   1.990
   90   HD13  LEU  12          3HD1      LEU  12   6.233   1.749   2.035
   91   HD21  LEU  12          3HD2      LEU  12   4.923   0.826  -1.327
   92   HD22  LEU  12          1HD2      LEU  12   6.179   2.023  -1.012
   93   HD23  LEU  12          2HD2      LEU  12   6.606   0.458  -1.705
   94    H    ALA  13           H        ALA  13  10.463   0.688   1.608
   95    HA   ALA  13           HA       ALA  13  10.205   3.005   3.198
   96    HB1  ALA  13           1HB      ALA  13  12.714   1.361   2.947
   97    HB2  ALA  13           2HB      ALA  13  12.143   2.278   4.341
   98    HB3  ALA  13           3HB      ALA  13  11.296   0.814   3.844
   99    H    THR  14           H        THR  14  12.053   2.323   0.315
  100    HA   THR  14           HA       THR  14  13.725   4.644   0.510
  101    HB   THR  14           HB       THR  14  13.456   3.569  -2.171
  102    HG1  THR  14           1HG      THR  14  14.469   1.623  -0.440
  103   HG21  THR  14          3HG2      THR  14  15.405   4.791  -0.923
  104   HG22  THR  14          1HG2      THR  14  15.773   3.524  -2.097
  105   HG23  THR  14          2HG2      THR  14  15.813   3.165  -0.370
  106    H    SER  15           H        SER  15  10.535   4.048  -0.541
  107    HA   SER  15           HA       SER  15  10.376   6.220  -2.430
  108    HB2  SER  15           2HB      SER  15   7.940   5.042  -1.183
  109    HB3  SER  15           1HB      SER  15   8.255   5.454  -2.868
  110    HG   SER  15           HG       SER  15   8.213   3.216  -2.622
  111    H    ALA  16           H        ALA  16  11.307   7.770  -0.895
  112    HA   ALA  16           HA       ALA  16  10.214   8.587   1.496
  113    HB1  ALA  16           1HB      ALA  16  11.355  10.665   1.194
  114    HB2  ALA  16           2HB      ALA  16  12.353   9.391   0.492
  115    HB3  ALA  16           3HB      ALA  16  11.400  10.443  -0.555
  116    H    ALA  17           H        ALA  17   9.239   9.491  -1.782
  117    HA   ALA  17           HA       ALA  17   7.511  11.589  -1.097
  118    HB1  ALA  17           1HB      ALA  17   6.383  10.688  -3.358
  119    HB2  ALA  17           2HB      ALA  17   7.862  11.649  -3.323
  120    HB3  ALA  17           3HB      ALA  17   7.954   9.892  -3.464
  121    H    PHE  18           H        PHE  18   7.043   8.131  -1.068
  122    HA   PHE  18           HA       PHE  18   4.198   8.169  -0.996
  123    HB2  PHE  18           2HB      PHE  18   5.437   6.178  -1.701
  124    HB3  PHE  18           1HB      PHE  18   6.163   6.047  -0.104
  125    HD1  PHE  18           1HD      PHE  18   2.887   5.992  -1.851
  126    HD2  PHE  18           2HD      PHE  18   5.145   4.785   1.542
  127    HE1  PHE  18           1HE      PHE  18   1.019   4.561  -1.126
  128    HE2  PHE  18           2HE      PHE  18   3.284   3.351   2.276
  129    HZ   PHE  18           HZ       PHE  18   1.217   3.237   0.940
  130    H    ALA  19           H        ALA  19   6.734   7.976   1.452
  131    HA   ALA  19           HA       ALA  19   4.868   7.842   3.631
  132    HB1  ALA  19           1HB      ALA  19   7.704   8.616   4.017
  133    HB2  ALA  19           2HB      ALA  19   6.676   7.569   4.993
  134    HB3  ALA  19           3HB      ALA  19   7.326   6.987   3.461
  135    H    LYS  20           H        LYS  20   6.668  10.348   1.984
  136    HA   LYS  20           HA       LYS  20   6.267  12.431   3.833
  137    HB2  LYS  20           2HB      LYS  20   7.848  12.765   2.076
  138    HB3  LYS  20           1HB      LYS  20   6.659  12.386   0.841
  139    HG2  LYS  20           2HG      LYS  20   5.506  14.534   2.012
  140    HG3  LYS  20           1HG      LYS  20   7.218  14.909   2.219
  141    HD2  LYS  20           2HD      LYS  20   6.820  13.920  -0.424
  142    HD3  LYS  20           1HD      LYS  20   5.627  15.183  -0.108
  143    HE2  LYS  20           2HE      LYS  20   7.597  16.544   0.802
  144    HE3  LYS  20           1HE      LYS  20   8.621  15.358  -0.006
  145    HZ1  LYS  20           3HZ      LYS  20   8.071  17.417  -1.298
  146    HZ2  LYS  20           1HZ      LYS  20   6.477  16.843  -1.416
  147    HZ3  LYS  20           2HZ      LYS  20   7.761  15.954  -2.090
  148    H    GLN  21           H        GLN  21   4.322  11.085   1.264
  149    HA   GLN  21           HA       GLN  21   2.201  12.959   1.420
  150    HB2  GLN  21           2HB      GLN  21   2.894  10.735  -0.155
  151    HB3  GLN  21           1HB      GLN  21   1.338  10.353   0.570
  152    HG2  GLN  21           2HG      GLN  21   0.807  12.835  -0.205
  153    HG3  GLN  21           1HG      GLN  21   2.082  12.473  -1.364
  154   HE21  GLN  21          1HE2      GLN  21   1.742  10.089  -2.244
  155   HE22  GLN  21          2HE2      GLN  21   0.164   9.824  -2.896
  156    H    ALA  22           H        ALA  22   3.038  10.053   3.137
  157    HA   ALA  22           HA       ALA  22   0.503   9.676   4.406
  158    HB1  ALA  22           1HB      ALA  22   1.614   7.992   5.726
  159    HB2  ALA  22           2HB      ALA  22   2.151   7.854   4.051
  160    HB3  ALA  22           3HB      ALA  22   3.197   8.611   5.251
  161    H    GLU  23           H        GLU  23   2.940  11.935   4.790
  162    HA   GLU  23           HA       GLU  23   2.627  12.345   7.633
  163    HB2  GLU  23           2HB      GLU  23   4.551  13.056   5.741
  164    HB3  GLU  23           1HB      GLU  23   3.775  14.576   6.156
  165    HG2  GLU  23           2HG      GLU  23   4.839  14.675   8.094
  166    HG3  GLU  23           1HG      GLU  23   4.326  13.047   8.525
  167    H    GLY  24           H        GLY  24   0.758  12.975   4.974
  168    HA2  GLY  24           1HA      GLY  24  -0.275  15.532   5.971
  169    HA3  GLY  24           2HA      GLY  24  -0.655  14.802   4.417
  170    H    THR  25           H        THR  25  -0.902  12.247   6.280
  171    HA   THR  25           HA       THR  25  -3.558  12.858   7.376
  172    HB   THR  25           HB       THR  25  -3.046  10.239   5.978
  173    HG1  THR  25           1HG      THR  25  -3.199  12.648   4.817
  174   HG21  THR  25          3HG2      THR  25  -5.291  11.573   7.289
  175   HG22  THR  25          1HG2      THR  25  -5.057   9.866   6.911
  176   HG23  THR  25          2HG2      THR  25  -5.691  10.964   5.682
  177    H    THR  26           H        THR  26  -4.179  11.425   9.155
  178    HA   THR  26           HA       THR  26  -1.860  10.643  10.681
  179    HB   THR  26           HB       THR  26  -4.190   9.883  12.068
  180    HG1  THR  26           1HG      THR  26  -5.670  11.340  11.583
  181   HG21  THR  26          3HG2      THR  26  -2.635  12.466  12.273
  182   HG22  THR  26          1HG2      THR  26  -2.117  10.929  12.967
  183   HG23  THR  26          2HG2      THR  26  -3.595  11.704  13.544
  184    H    CYS  27           H        CYS  27  -1.032   8.810   9.696
  185    HA   CYS  27           HA       CYS  27  -2.473   6.386  10.458
  186    HB2  CYS  27           2HB      CYS  27  -0.939   5.936   8.029
  187    HB3  CYS  27           1HB      CYS  27  -2.602   5.497   8.393
  188    H    ASN  28           H        ASN  28  -0.964   4.541  10.738
  189    HA   ASN  28           HA       ASN  28   1.654   5.557  11.633
  190    HB2  ASN  28           2HB      ASN  28  -0.216   4.650  13.289
  191    HB3  ASN  28           1HB      ASN  28   0.430   3.087  12.806
  192   HD21  ASN  28          1HD2      ASN  28   0.508   4.025  15.411
  193   HD22  ASN  28          2HD2      ASN  28   2.159   4.288  15.866
  194    H    VAL  29           H        VAL  29   3.170   3.491  12.015
  195    HA   VAL  29           HA       VAL  29   3.760   2.413   9.496
  196    HB   VAL  29           HB       VAL  29   5.486   1.202  10.480
  197   HG11  VAL  29          1HG1      VAL  29   6.452   3.099  11.090
  198   HG12  VAL  29          2HG1      VAL  29   4.910   3.795  11.573
  199   HG13  VAL  29          3HG1      VAL  29   5.837   2.831  12.720
  200   HG21  VAL  29          3HG2      VAL  29   5.471   0.069  12.452
  201   HG22  VAL  29          1HG2      VAL  29   4.495   1.286  13.277
  202   HG23  VAL  29          2HG2      VAL  29   3.730   0.143  12.168
  203    H    GLY  30           H        GLY  30   3.285   0.489   8.519
  204    HA2  GLY  30           1HA      GLY  30   2.168  -1.520   8.175
  205    HA3  GLY  30           2HA      GLY  30   1.707  -1.518   9.870
  206    H    SER  31           H        SER  31   0.721   1.394   9.218
  207    HA   SER  31           HA       SER  31  -1.913   0.490   8.300
  208    HB2  SER  31           2HB      SER  31  -1.801   3.199   9.378
  209    HB3  SER  31           1HB      SER  31  -2.839   1.849   9.830
  210    HG   SER  31           HG       SER  31  -1.019   1.017  11.034
  211    H    ILE  32           H        ILE  32   0.779   1.979   7.089
  212    HA   ILE  32           HA       ILE  32  -0.570   3.927   5.426
  213    HB   ILE  32           HB       ILE  32   2.142   2.917   4.702
  214   HG12  ILE  32          2HG1      ILE  32   1.842   3.227   7.273
  215   HG13  ILE  32          1HG1      ILE  32   3.265   3.890   6.480
  216   HG21  ILE  32          1HG2      ILE  32   1.034   4.672   3.389
  217   HG22  ILE  32          2HG2      ILE  32   0.964   5.696   4.824
  218   HG23  ILE  32          3HG2      ILE  32   2.524   5.246   4.136
  219   HD11  ILE  32          3HD1      ILE  32   2.407   5.490   8.049
  220   HD12  ILE  32          1HD1      ILE  32   2.143   6.093   6.412
  221   HD13  ILE  32          2HD1      ILE  32   0.801   5.396   7.322
  222    H    ALA  33           H        ALA  33  -1.895   3.189   3.894
  223    HA   ALA  33           HA       ALA  33  -1.073   0.754   2.469
  224    HB1  ALA  33           1HB      ALA  33  -3.052  -0.239   2.829
  225    HB2  ALA  33           2HB      ALA  33  -3.200   0.910   4.157
  226    HB3  ALA  33           3HB      ALA  33  -3.958   1.257   2.604
  227    H    CYS  34           H        CYS  34  -1.420   0.667   0.287
  228    HA   CYS  34           HA       CYS  34  -2.422   3.123  -0.973
  229    HB2  CYS  34           2HB      CYS  34  -0.033   2.224  -1.466
  230    HB3  CYS  34           1HB      CYS  34  -0.861   1.004  -2.428
  231    H    CYS  35           H        CYS  35  -4.148   3.051  -2.233
  232    HA   CYS  35           HA       CYS  35  -5.474   0.444  -2.569
  233    HB2  CYS  35           2HB      CYS  35  -6.783   3.170  -2.471
  234    HB3  CYS  35           1HB      CYS  35  -7.594   1.608  -2.489
  235    H    ASN  36           H        ASN  36  -6.469  -0.014  -4.517
  236    HA   ASN  36           HA       ASN  36  -6.207   1.963  -6.676
  237    HB2  ASN  36           2HB      ASN  36  -4.361   0.177  -6.734
  238    HB3  ASN  36           1HB      ASN  36  -5.634  -0.972  -7.123
  239   HD21  ASN  36          1HD2      ASN  36  -3.898  -1.015  -8.964
  240   HD22  ASN  36          2HD2      ASN  36  -4.316  -0.068 -10.358
  241    H    SER  37           H        SER  37  -7.802   1.741  -8.309
  242    HA   SER  37           HA       SER  37 -10.362   1.129  -7.617
  243    HB2  SER  37           2HB      SER  37  -9.422   0.616 -10.422
  244    HB3  SER  37           1HB      SER  37 -10.907   1.399  -9.870
  245    HG   SER  37           HG       SER  37  -8.809   2.635 -10.662
  246    HA   PRO  38           HA       PRO  38 -10.691  -3.097  -6.703
  247    HB2  PRO  38           2HB      PRO  38 -13.213  -3.513  -7.903
  248    HB3  PRO  38           1HB      PRO  38 -12.896  -3.051  -6.229
  249    HG2  PRO  38           2HG      PRO  38 -13.610  -1.344  -8.568
  250    HG3  PRO  38           1HG      PRO  38 -14.055  -1.160  -6.861
  251    HD2  PRO  38           2HD      PRO  38 -12.195   0.404  -7.968
  252    HD3  PRO  38           1HD      PRO  38 -11.998  -0.206  -6.307
  253    H    ALA  39           H        ALA  39 -11.704  -2.337 -10.050
  254    HA   ALA  39           HA       ALA  39 -11.390  -5.032 -10.925
  255    HB1  ALA  39           1HB      ALA  39 -12.452  -4.324 -12.755
  256    HB2  ALA  39           2HB      ALA  39 -12.615  -2.774 -11.928
  257    HB3  ALA  39           3HB      ALA  39 -11.275  -3.043 -13.042
  258    H    GLU  40           H        GLU  40  -9.164  -2.623 -10.272
  259    HA   GLU  40           HA       GLU  40  -7.169  -3.732 -12.122
  260    HB2  GLU  40           2HB      GLU  40  -7.712  -1.072 -11.166
  261    HB3  GLU  40           1HB      GLU  40  -6.084  -1.534 -10.694
  262    HG2  GLU  40           2HG      GLU  40  -6.465  -2.315 -13.388
  263    HG3  GLU  40           1HG      GLU  40  -7.020  -0.651 -13.214
  264    H    THR  41           H        THR  41  -7.839  -2.935  -8.779
  265    HA   THR  41           HA       THR  41  -5.574  -4.005  -7.541
  266    HB   THR  41           HB       THR  41  -8.417  -3.509  -6.717
  267    HG1  THR  41           1HG      THR  41  -7.505  -1.799  -5.895
  268   HG21  THR  41          3HG2      THR  41  -6.486  -5.255  -5.274
  269   HG22  THR  41          1HG2      THR  41  -8.246  -5.345  -5.362
  270   HG23  THR  41          2HG2      THR  41  -7.475  -4.136  -4.334
  271    H    ASN  42           H        ASN  42  -8.601  -5.498  -8.566
  272    HA   ASN  42           HA       ASN  42  -7.780  -8.101  -7.549
  273    HB2  ASN  42           2HB      ASN  42 -10.284  -6.821  -8.413
  274    HB3  ASN  42           1HB      ASN  42 -10.131  -8.512  -8.853
  275   HD21  ASN  42          1HD2      ASN  42  -8.531  -7.251  -6.074
  276   HD22  ASN  42          2HD2      ASN  42  -9.543  -7.998  -4.887
  277    H    ASN  43           H        ASN  43  -6.993  -6.429 -10.178
  278    HA   ASN  43           HA       ASN  43  -7.261  -8.518 -12.156
  279    HB2  ASN  43           2HB      ASN  43  -6.843  -5.796 -12.320
  280    HB3  ASN  43           1HB      ASN  43  -5.248  -6.452 -12.689
  281   HD21  ASN  43          1HD2      ASN  43  -8.586  -6.325 -13.653
  282   HD22  ASN  43          2HD2      ASN  43  -8.356  -6.918 -15.267
  283    H    ASP  44           H        ASP  44  -5.355  -7.984  -9.524
  284    HA   ASP  44           HA       ASP  44  -3.016  -9.379 -10.569
  285    HB2  ASP  44           2HB      ASP  44  -2.544  -7.434  -9.193
  286    HB3  ASP  44           1HB      ASP  44  -3.553  -8.066  -7.892
  287    H    SER  45           H        SER  45  -2.334 -11.363  -9.787
  288    HA   SER  45           HA       SER  45  -4.468 -13.039  -8.775
  289    HB2  SER  45           2HB      SER  45  -1.729 -14.139  -9.103
  290    HB3  SER  45           1HB      SER  45  -3.282 -14.806  -9.608
  291    HG   SER  45           HG       SER  45  -3.064 -12.732 -11.081
  292    H    LEU  46           H        LEU  46  -1.744 -11.338  -7.564
  293    HA   LEU  46           HA       LEU  46  -1.424 -12.976  -5.201
  294    HB2  LEU  46           2HB      LEU  46  -0.034 -10.757  -6.473
  295    HB3  LEU  46           1HB      LEU  46  -0.163 -10.542  -4.738
  296    HG   LEU  46           HG       LEU  46   0.925 -12.723  -4.389
  297   HD11  LEU  46          1HD1      LEU  46   0.553 -14.124  -6.138
  298   HD12  LEU  46          2HD1      LEU  46   0.695 -12.843  -7.343
  299   HD13  LEU  46          3HD1      LEU  46   2.144 -13.520  -6.600
  300   HD21  LEU  46          3HD2      LEU  46   2.905 -11.564  -6.165
  301   HD22  LEU  46          1HD2      LEU  46   2.095 -10.347  -5.178
  302   HD23  LEU  46          2HD2      LEU  46   2.908 -11.710  -4.407
  303    H    LEU  47           H        LEU  47  -2.503  -9.644  -5.863
  304    HA   LEU  47           HA       LEU  47  -3.309  -8.913  -3.320
  305    HB2  LEU  47           2HB      LEU  47  -3.431  -7.785  -5.827
  306    HB3  LEU  47           1HB      LEU  47  -5.127  -7.974  -5.411
  307    HG   LEU  47           HG       LEU  47  -3.177  -6.617  -3.558
  308   HD11  LEU  47          1HD1      LEU  47  -3.269  -4.684  -4.679
  309   HD12  LEU  47          2HD1      LEU  47  -3.650  -5.703  -6.068
  310   HD13  LEU  47          3HD1      LEU  47  -4.946  -4.925  -5.159
  311   HD21  LEU  47          3HD2      LEU  47  -5.718  -7.473  -3.123
  312   HD22  LEU  47          1HD2      LEU  47  -4.959  -6.120  -2.284
  313   HD23  LEU  47          2HD2      LEU  47  -6.000  -5.824  -3.677
  314    H    SER  48           H        SER  48  -5.060 -10.816  -5.696
  315    HA   SER  48           HA       SER  48  -7.598 -10.708  -4.545
  316    HB2  SER  48           2HB      SER  48  -6.769 -11.668  -6.821
  317    HB3  SER  48           1HB      SER  48  -6.601 -13.182  -5.924
  318    HG   SER  48           HG       SER  48  -9.002 -11.813  -5.595
  319    H    GLY  49           H        GLY  49  -4.774 -12.541  -3.593
  320    HA2  GLY  49           1HA      GLY  49  -6.361 -13.879  -1.492
  321    HA3  GLY  49           2HA      GLY  49  -4.747 -14.356  -1.999
  322    H    LEU  50           H        LEU  50  -3.978 -11.478  -2.092
  323    HA   LEU  50           HA       LEU  50  -2.874 -11.259   0.504
  324    HB2  LEU  50           2HB      LEU  50  -1.672 -10.345  -1.338
  325    HB3  LEU  50           1HB      LEU  50  -3.039  -9.370  -1.841
  326    HG   LEU  50           HG       LEU  50  -2.423  -8.539   0.772
  327   HD11  LEU  50          1HD1      LEU  50  -0.095  -9.563  -0.573
  328   HD12  LEU  50          2HD1      LEU  50   0.049  -7.826  -0.299
  329   HD13  LEU  50          3HD1      LEU  50  -0.256  -8.909   1.058
  330   HD21  LEU  50          3HD2      LEU  50  -1.702  -6.474  -0.474
  331   HD22  LEU  50          1HD2      LEU  50  -1.987  -7.374  -1.965
  332   HD23  LEU  50          2HD2      LEU  50  -3.319  -7.069  -0.847
  333    H    LEU  51           H        LEU  51  -5.847 -10.256  -0.884
  334    HA   LEU  51           HA       LEU  51  -6.702  -8.065   0.501
  335    HB2  LEU  51           2HB      LEU  51  -7.952 -10.370  -0.742
  336    HB3  LEU  51           1HB      LEU  51  -8.870  -9.817   0.643
  337    HG   LEU  51           HG       LEU  51  -8.283  -7.493  -0.792
  338   HD11  LEU  51          1HD1      LEU  51  -8.750  -7.858  -3.019
  339   HD12  LEU  51          2HD1      LEU  51  -7.749  -9.257  -2.629
  340   HD13  LEU  51          3HD1      LEU  51  -9.501  -9.424  -2.715
  341   HD21  LEU  51          3HD2      LEU  51 -10.796  -9.159  -0.749
  342   HD22  LEU  51          1HD2      LEU  51 -10.308  -8.008   0.494
  343   HD23  LEU  51          2HD2      LEU  51 -10.686  -7.440  -1.135
  344    H    GLY  52           H        GLY  52  -6.362 -11.332   1.748
  345    HA2  GLY  52           1HA      GLY  52  -6.819 -10.244   4.438
  346    HA3  GLY  52           2HA      GLY  52  -7.628 -11.724   3.944
  347    H    ALA  53           H        ALA  53  -4.408 -10.266   4.386
  348    HA   ALA  53           HA       ALA  53  -3.038 -12.749   4.424
  349    HB1  ALA  53           1HB      ALA  53  -2.135 -10.263   4.310
  350    HB2  ALA  53           2HB      ALA  53  -2.020 -10.470   6.057
  351    HB3  ALA  53           3HB      ALA  53  -1.150 -11.562   4.980
  352    H    GLY  54           H        GLY  54  -4.818 -10.904   6.759
  353    HA2  GLY  54           1HA      GLY  54  -4.746 -13.232   8.560
  354    HA3  GLY  54           2HA      GLY  54  -4.602 -11.598   9.206
  355    H    LEU  55           H        LEU  55  -6.425 -10.571   9.742
  356    HA   LEU  55           HA       LEU  55  -8.951 -11.498   8.540
  357    HB2  LEU  55           2HB      LEU  55  -8.548 -10.225  11.251
  358    HB3  LEU  55           1HB      LEU  55 -10.077 -10.758  10.582
  359    HG   LEU  55           HG       LEU  55  -8.158 -12.923  10.624
  360   HD11  LEU  55          1HD1      LEU  55  -8.939 -12.317  13.380
  361   HD12  LEU  55          2HD1      LEU  55  -7.430 -12.978  12.743
  362   HD13  LEU  55          3HD1      LEU  55  -7.718 -11.237  12.710
  363   HD21  LEU  55          3HD2      LEU  55  -9.986 -14.060  11.743
  364   HD22  LEU  55          1HD2      LEU  55 -10.809 -12.520  11.999
  365   HD23  LEU  55          2HD2      LEU  55 -10.591 -13.142  10.364
  366    H    LEU  56           H        LEU  56  -7.547  -9.763   7.096
  367    HA   LEU  56           HA       LEU  56  -7.957  -7.034   7.875
  368    HB2  LEU  56           2HB      LEU  56  -6.692  -8.433   5.577
  369    HB3  LEU  56           1HB      LEU  56  -7.146  -6.751   5.377
  370    HG   LEU  56           HG       LEU  56  -5.584  -7.424   7.806
  371   HD11  LEU  56          1HD1      LEU  56  -4.129  -7.073   5.221
  372   HD12  LEU  56          2HD1      LEU  56  -3.546  -7.717   6.756
  373   HD13  LEU  56          3HD1      LEU  56  -4.630  -8.679   5.754
  374   HD21  LEU  56          3HD2      LEU  56  -5.204  -5.201   5.824
  375   HD22  LEU  56          1HD2      LEU  56  -6.412  -5.128   7.108
  376   HD23  LEU  56          2HD2      LEU  56  -4.700  -5.263   7.513
  377    H    ASN  57           H        ASN  57  -8.725  -5.553   5.961
  378    HA   ASN  57           HA       ASN  57 -11.275  -6.533   4.911
  379    HB2  ASN  57           2HB      ASN  57 -10.871  -4.424   6.964
  380    HB3  ASN  57           1HB      ASN  57 -12.041  -4.079   5.694
  381   HD21  ASN  57          1HD2      ASN  57 -14.050  -4.804   5.974
  382   HD22  ASN  57          2HD2      ASN  57 -14.524  -5.966   7.164
  383    H    GLY  58           H        GLY  58 -12.272  -4.412   3.743
  384    HA2  GLY  58           1HA      GLY  58 -10.094  -3.456   1.997
  385    HA3  GLY  58           2HA      GLY  58 -11.732  -3.768   1.442
  386    H    LEU  59           H        LEU  59 -12.417  -1.814   0.780
  387    HA   LEU  59           HA       LEU  59 -11.741   0.651   1.976
  388    HB2  LEU  59           2HB      LEU  59 -13.178  -0.244  -0.282
  389    HB3  LEU  59           1HB      LEU  59 -14.296   0.741   0.637
  390    HG   LEU  59           HG       LEU  59 -13.109   2.004  -1.117
  391   HD11  LEU  59          1HD1      LEU  59 -13.894   2.974   1.122
  392   HD12  LEU  59          2HD1      LEU  59 -12.181   3.022   1.543
  393   HD13  LEU  59          3HD1      LEU  59 -12.773   3.926   0.147
  394   HD21  LEU  59          3HD2      LEU  59 -11.005   0.884  -1.182
  395   HD22  LEU  59          1HD2      LEU  59 -10.714   2.562  -0.721
  396   HD23  LEU  59          2HD2      LEU  59 -10.673   1.291   0.504
  397    H    SER  60           H        SER  60 -12.973   2.040   3.276
  398    HA   SER  60           HA       SER  60 -14.239   0.972   5.480
  399    HB2  SER  60           2HB      SER  60 -15.232   3.538   5.337
  400    HB3  SER  60           1HB      SER  60 -13.661   3.094   6.005
  401    HG   SER  60           HG       SER  60 -14.124   4.642   3.939
  402    H    GLY  61           H        GLY  61 -15.862  -0.521   4.876
  403    HA2  GLY  61           1HA      GLY  61 -18.204  -0.851   4.941
  404    HA3  GLY  61           2HA      GLY  61 -18.427   0.746   4.244
  405    H    ASN  62           H        ASN  62 -16.010  -0.728   2.544
  406    HA   ASN  62           HA       ASN  62 -17.909  -1.803   0.565
  407    HB2  ASN  62           2HB      ASN  62 -16.840   0.428  -0.012
  408    HB3  ASN  62           1HB      ASN  62 -15.302  -0.426  -0.085
  409   HD21  ASN  62          1HD2      ASN  62 -17.243   0.945  -2.043
  410   HD22  ASN  62          2HD2      ASN  62 -17.297  -0.173  -3.360
  411    H    THR  63           H        THR  63 -17.654  -3.953   0.997
  412    HA   THR  63           HA       THR  63 -15.039  -5.122   1.293
  413    HB   THR  63           HB       THR  63 -17.117  -7.057   0.800
  414    HG1  THR  63           1HG      THR  63 -18.095  -6.144   3.001
  415   HG21  THR  63          3HG2      THR  63 -16.559  -7.611   3.210
  416   HG22  THR  63          1HG2      THR  63 -15.419  -6.262   3.161
  417   HG23  THR  63          2HG2      THR  63 -15.205  -7.639   2.082
  418    H    GLY  64           H        GLY  64 -14.325  -4.247  -0.822
  419    HA2  GLY  64           1HA      GLY  64 -14.331  -6.312  -2.798
  420    HA3  GLY  64           2HA      GLY  64 -15.280  -4.919  -3.312
  421    H    SER  65           H        SER  65 -13.909  -2.804  -2.379
  422    HA   SER  65           HA       SER  65 -11.494  -2.813  -3.959
  423    HB2  SER  65           2HB      SER  65 -11.985  -0.496  -2.209
  424    HB3  SER  65           1HB      SER  65 -11.727  -0.552  -3.951
  425    HG   SER  65           HG       SER  65 -13.980  -1.492  -3.932
  426    H    ALA  66           H        ALA  66  -9.648  -3.600  -3.143
  427    HA   ALA  66           HA       ALA  66  -9.287  -3.603  -0.227
  428    HB1  ALA  66           1HB      ALA  66  -8.717  -5.543  -2.324
  429    HB2  ALA  66           2HB      ALA  66  -7.355  -5.278  -1.238
  430    HB3  ALA  66           3HB      ALA  66  -8.916  -5.780  -0.588
  431    H    CYS  67           H        CYS  67  -7.197  -3.178   0.631
  432    HA   CYS  67           HA       CYS  67  -5.359  -1.691  -1.110
  433    HB2  CYS  67           2HB      CYS  67  -6.037  -0.814   1.696
  434    HB3  CYS  67           1HB      CYS  67  -5.099   0.058   0.491
  435    H    ALA  68           H        ALA  68  -3.200  -2.009  -0.653
  436    HA   ALA  68           HA       ALA  68  -2.642  -3.886   1.536
  437    HB1  ALA  68           1HB      ALA  68  -0.999  -3.346  -0.931
  438    HB2  ALA  68           2HB      ALA  68  -0.574  -4.469   0.362
  439    HB3  ALA  68           3HB      ALA  68  -2.001  -4.768  -0.634
  440    H    LYS  69           H        LYS  69  -1.606  -3.158   3.220
  441    HA   LYS  69           HA       LYS  69  -0.423  -0.534   3.269
  442    HB2  LYS  69           2HB      LYS  69  -0.168  -2.578   5.461
  443    HB3  LYS  69           1HB      LYS  69  -0.227  -0.824   5.594
  444    HG2  LYS  69           2HG      LYS  69  -2.421  -0.864   5.885
  445    HG3  LYS  69           1HG      LYS  69  -2.650  -1.784   4.397
  446    HD2  LYS  69           2HD      LYS  69  -1.833  -3.038   7.008
  447    HD3  LYS  69           1HD      LYS  69  -3.515  -2.857   6.505
  448    HE2  LYS  69           2HE      LYS  69  -3.226  -4.888   5.587
  449    HE3  LYS  69           1HE      LYS  69  -2.427  -3.993   4.295
  450    HZ1  LYS  69           3HZ      LYS  69  -0.497  -4.386   6.206
  451    HZ2  LYS  69           1HZ      LYS  69  -0.649  -5.214   4.738
  452    HZ3  LYS  69           2HZ      LYS  69  -1.332  -5.857   6.150
  453    H    ALA  70           H        ALA  70   1.805  -0.265   4.195
  454    HA   ALA  70           HA       ALA  70   3.755  -1.281   2.552
  455    HB1  ALA  70           1HB      ALA  70   5.336  -0.648   4.487
  456    HB2  ALA  70           2HB      ALA  70   4.350   0.609   3.742
  457    HB3  ALA  70           3HB      ALA  70   3.867  -0.087   5.286
  458    H    SER  71           H        SER  71   2.656  -2.577   5.643
  459    HA   SER  71           HA       SER  71   4.633  -4.515   6.018
  460    HB2  SER  71           2HB      SER  71   2.491  -5.673   7.169
  461    HB3  SER  71           1HB      SER  71   3.348  -4.315   7.903
  462    HG   SER  71           HG       SER  71   0.917  -4.235   7.595
  463    H    LEU  72           H        LEU  72   1.684  -4.520   4.107
  464    HA   LEU  72           HA       LEU  72   1.915  -7.334   3.494
  465    HB2  LEU  72           2HB      LEU  72  -0.161  -5.418   3.409
  466    HB3  LEU  72           1HB      LEU  72   0.070  -5.993   1.765
  467    HG   LEU  72           HG       LEU  72  -0.461  -8.206   2.333
  468   HD11  LEU  72          1HD1      LEU  72  -0.168  -7.411   5.224
  469   HD12  LEU  72          2HD1      LEU  72  -0.670  -9.000   4.640
  470   HD13  LEU  72          3HD1      LEU  72   0.954  -8.405   4.285
  471   HD21  LEU  72          3HD2      LEU  72  -2.303  -6.910   4.268
  472   HD22  LEU  72          1HD2      LEU  72  -2.308  -6.337   2.599
  473   HD23  LEU  72          2HD2      LEU  72  -2.646  -8.034   2.951
  474    H    ILE  73           H        ILE  73   2.855  -4.315   2.128
  475    HA   ILE  73           HA       ILE  73   3.405  -5.173  -0.496
  476    HB   ILE  73           HB       ILE  73   4.369  -2.930   1.227
  477   HG12  ILE  73          2HG1      ILE  73   3.558  -2.455  -1.544
  478   HG13  ILE  73          1HG1      ILE  73   2.327  -3.265  -0.582
  479   HG21  ILE  73          1HG2      ILE  73   5.767  -3.944  -1.203
  480   HG22  ILE  73          2HG2      ILE  73   5.679  -2.209  -0.914
  481   HG23  ILE  73          3HG2      ILE  73   6.435  -3.263   0.279
  482   HD11  ILE  73          3HD1      ILE  73   2.094  -1.468   0.854
  483   HD12  ILE  73          1HD1      ILE  73   3.680  -0.809   0.446
  484   HD13  ILE  73          2HD1      ILE  73   2.350  -0.692  -0.706
  485    H    ASP  74           H        ASP  74   5.255  -5.241   2.510
  486    HA   ASP  74           HA       ASP  74   7.479  -6.612   1.287
  487    HB2  ASP  74           2HB      ASP  74   7.534  -4.980   3.317
  488    HB3  ASP  74           1HB      ASP  74   7.085  -6.404   4.251
  489    H    GLN  75           H        GLN  75   4.462  -7.580   2.190
  490    HA   GLN  75           HA       GLN  75   5.189 -10.092   3.405
  491    HB2  GLN  75           2HB      GLN  75   2.853  -8.546   3.288
  492    HB3  GLN  75           1HB      GLN  75   2.480 -10.012   2.391
  493    HG2  GLN  75           2HG      GLN  75   1.847 -10.422   4.617
  494    HG3  GLN  75           1HG      GLN  75   3.356 -11.300   4.372
  495   HE21  GLN  75          1HE2      GLN  75   5.350 -10.020   4.968
  496   HE22  GLN  75          2HE2      GLN  75   5.254  -9.077   6.412
  497    H    LEU  76           H        LEU  76   3.697  -9.084   0.343
  498    HA   LEU  76           HA       LEU  76   4.362 -11.750  -0.708
  499    HB2  LEU  76           2HB      LEU  76   2.039  -9.973  -1.021
  500    HB3  LEU  76           1HB      LEU  76   2.590 -10.730  -2.503
  501    HG   LEU  76           HG       LEU  76   2.302 -12.941  -1.515
  502   HD11  LEU  76          1HD1      LEU  76   1.951 -13.358   0.665
  503   HD12  LEU  76          2HD1      LEU  76   2.583 -11.727   0.905
  504   HD13  LEU  76          3HD1      LEU  76   0.840 -12.000   0.846
  505   HD21  LEU  76          3HD2      LEU  76   0.424 -11.968  -2.679
  506   HD22  LEU  76          1HD2      LEU  76  -0.145 -12.913  -1.301
  507   HD23  LEU  76          2HD2      LEU  76  -0.096 -11.151  -1.205
  508    H    GLY  77           H        GLY  77   4.937  -8.381  -1.030
  509    HA2  GLY  77           1HA      GLY  77   6.536  -7.326  -2.374
  510    HA3  GLY  77           2HA      GLY  77   6.803  -8.857  -3.203
  511    H    LEU  78           H        LEU  78   3.896  -6.917  -2.710
  512    HA   LEU  78           HA       LEU  78   2.968  -7.502  -5.338
  513    HB2  LEU  78           2HB      LEU  78   1.915  -6.541  -2.873
  514    HB3  LEU  78           1HB      LEU  78   1.439  -5.448  -4.160
  515    HG   LEU  78           HG       LEU  78   0.938  -7.894  -5.264
  516   HD11  LEU  78          1HD1      LEU  78   0.746  -8.086  -2.324
  517   HD12  LEU  78          2HD1      LEU  78  -0.572  -8.782  -3.265
  518   HD13  LEU  78          3HD1      LEU  78   1.083  -9.333  -3.524
  519   HD21  LEU  78          3HD2      LEU  78  -1.468  -7.246  -4.248
  520   HD22  LEU  78          1HD2      LEU  78  -0.612  -5.722  -4.026
  521   HD23  LEU  78          2HD2      LEU  78  -0.740  -6.434  -5.633
  522    H    LEU  79           H        LEU  79   2.652  -6.154  -7.048
  523    HA   LEU  79           HA       LEU  79   3.590  -3.391  -6.790
  524    HB2  LEU  79           2HB      LEU  79   4.449  -3.554  -9.133
  525    HB3  LEU  79           1HB      LEU  79   5.339  -4.508  -7.965
  526    HG   LEU  79           HG       LEU  79   3.291  -6.138  -9.130
  527   HD11  LEU  79          1HD1      LEU  79   5.144  -4.834 -11.117
  528   HD12  LEU  79          2HD1      LEU  79   4.022  -6.154 -11.443
  529   HD13  LEU  79          3HD1      LEU  79   3.407  -4.560 -11.006
  530   HD21  LEU  79          3HD2      LEU  79   5.157  -7.184  -8.183
  531   HD22  LEU  79          1HD2      LEU  79   5.397  -7.371  -9.918
  532   HD23  LEU  79          2HD2      LEU  79   6.290  -6.137  -9.035
  533    H    ALA  80           H        ALA  80   0.931  -4.982  -6.945
  534    HA   ALA  80           HA       ALA  80  -0.318  -3.999  -9.344
  535    HB1  ALA  80           1HB      ALA  80  -2.418  -4.866  -8.245
  536    HB2  ALA  80           2HB      ALA  80  -1.146  -6.060  -8.500
  537    HB3  ALA  80           3HB      ALA  80  -1.405  -5.377  -6.896
  538    H    LEU  81           H        LEU  81   0.115  -2.874  -6.104
  539    HA   LEU  81           HA       LEU  81  -1.788  -0.683  -6.582
  540    HB2  LEU  81           2HB      LEU  81  -0.605  -1.612  -3.964
  541    HB3  LEU  81           1HB      LEU  81  -1.799  -0.344  -4.163
  542    HG   LEU  81           HG       LEU  81  -2.452  -3.081  -5.146
  543   HD11  LEU  81          1HD1      LEU  81  -1.566  -3.516  -2.950
  544   HD12  LEU  81          2HD1      LEU  81  -2.528  -2.205  -2.266
  545   HD13  LEU  81          3HD1      LEU  81  -3.324  -3.643  -2.912
  546   HD21  LEU  81          3HD2      LEU  81  -4.022  -1.332  -5.612
  547   HD22  LEU  81          1HD2      LEU  81  -4.697  -2.371  -4.357
  548   HD23  LEU  81          2HD2      LEU  81  -4.006  -0.807  -3.928
  549    H    VAL  82           H        VAL  82   1.320  -1.257  -7.060
  550    HA   VAL  82           HA       VAL  82   2.161   1.350  -6.008
  551    HB   VAL  82           HB       VAL  82   3.322  -1.174  -5.505
  552   HG11  VAL  82          1HG1      VAL  82   4.765   0.276  -7.615
  553   HG12  VAL  82          2HG1      VAL  82   5.748  -0.206  -6.236
  554   HG13  VAL  82          3HG1      VAL  82   4.847  -1.422  -7.143
  555   HG21  VAL  82          3HG2      VAL  82   4.634   1.469  -4.966
  556   HG22  VAL  82          1HG2      VAL  82   3.166   0.961  -4.122
  557   HG23  VAL  82          2HG2      VAL  82   4.646   0.006  -3.977
  558    H    ASP  83           H        ASP  83   3.083   2.758  -7.330
  559    HA   ASP  83           HA       ASP  83   3.626   1.906 -10.095
  560    HB2  ASP  83           2HB      ASP  83   1.644   3.566  -9.588
  561    HB3  ASP  83           1HB      ASP  83   2.932   4.751  -9.413
  562    H    HIS  84           H        HIS  84   5.529   2.787 -11.041
  563    HA   HIS  84           HA       HIS  84   7.406   3.618  -8.945
  564    HB2  HIS  84           2HB      HIS  84   7.928   1.468 -10.071
  565    HB3  HIS  84           1HB      HIS  84   8.074   2.335 -11.599
  566    HD1  HIS  84           1HD      HIS  84   9.827   1.813  -8.330
  567    HD2  HIS  84           2HD      HIS  84  10.404   3.846 -11.903
  568    HE1  HIS  84           1HE      HIS  84  12.176   2.682  -8.234
  569    HE2  HIS  84           2HE      HIS  84  12.561   3.800 -10.466
  570    H    THR  85           H        THR  85   7.722   5.685  -8.908
  571    HA   THR  85           HA       THR  85   8.019   7.130 -11.458
  572    HB   THR  85           HB       THR  85   7.824   9.195 -10.056
  573    HG1  THR  85           1HG      THR  85   6.615   7.918  -7.964
  574   HG21  THR  85          3HG2      THR  85   5.415   7.470  -9.590
  575   HG22  THR  85          1HG2      THR  85   5.883   7.957 -11.219
  576   HG23  THR  85          2HG2      THR  85   5.491   9.183 -10.014
  577    H    GLU  86           H        GLU  86   9.526   9.245 -10.698
  578    HA   GLU  86           HA       GLU  86  12.146   8.279 -10.726
  579    HB2  GLU  86           2HB      GLU  86  12.778  10.653 -10.332
  580    HB3  GLU  86           1HB      GLU  86  11.613  10.440 -11.631
  581    HG2  GLU  86           2HG      GLU  86  10.646  11.060  -8.876
  582    HG3  GLU  86           1HG      GLU  86  11.317  12.344  -9.876
  583    H    GLU  87           H        GLU  87  10.032   8.942  -8.064
  584    HA   GLU  87           HA       GLU  87  12.148   9.152  -6.118
  585    HB2  GLU  87           2HB      GLU  87   9.360   9.696  -6.175
  586    HB3  GLU  87           1HB      GLU  87   9.641   8.523  -4.896
  587    HG2  GLU  87           2HG      GLU  87  10.074  10.314  -3.642
  588    HG3  GLU  87           1HG      GLU  87  11.648  10.294  -4.437
  589    H    GLY  88           H        GLY  88  10.021   6.653  -7.342
  590    HA2  GLY  88           1HA      GLY  88  11.289   4.406  -6.933
  591    HA3  GLY  88           2HA      GLY  88  10.943   4.811  -5.256
  592    HA   PRO  89           HA       PRO  89   7.276   2.367  -6.699
  593    HB2  PRO  89           2HB      PRO  89   7.567   1.044  -4.112
  594    HB3  PRO  89           1HB      PRO  89   7.545   0.335  -5.728
  595    HG2  PRO  89           2HG      PRO  89   9.777   0.415  -4.193
  596    HG3  PRO  89           1HG      PRO  89   9.826   0.476  -5.964
  597    HD2  PRO  89           2HD      PRO  89  10.070   2.711  -3.980
  598    HD3  PRO  89           1HD      PRO  89  10.982   2.440  -5.481
  599    H    VAL  90           H        VAL  90   5.882   4.082  -6.438
  600    HA   VAL  90           HA       VAL  90   5.166   4.850  -3.679
  601    HB   VAL  90           HB       VAL  90   4.167   6.887  -5.112
  602   HG11  VAL  90          1HG1      VAL  90   6.330   8.087  -4.605
  603   HG12  VAL  90          2HG1      VAL  90   5.583   7.245  -3.249
  604   HG13  VAL  90          3HG1      VAL  90   6.971   6.530  -4.069
  605   HG21  VAL  90          3HG2      VAL  90   5.851   7.513  -6.837
  606   HG22  VAL  90          1HG2      VAL  90   6.540   5.896  -6.691
  607   HG23  VAL  90          2HG2      VAL  90   4.882   6.102  -7.258
  608    H    CYS  91           H        CYS  91   2.820   6.108  -4.021
  609    HA   CYS  91           HA       CYS  91   1.024   3.935  -4.290
  610    HB2  CYS  91           2HB      CYS  91   0.948   6.515  -3.170
  611    HB3  CYS  91           1HB      CYS  91  -0.318   6.490  -4.391
  612    H    LYS  92           H        LYS  92  -0.045   3.212  -5.965
  613    HA   LYS  92           HA       LYS  92   0.446   4.268  -8.565
  614    HB2  LYS  92           2HB      LYS  92   0.235   1.883  -8.245
  615    HB3  LYS  92           1HB      LYS  92  -1.383   2.076  -7.584
  616    HG2  LYS  92           2HG      LYS  92  -2.073   1.593  -9.652
  617    HG3  LYS  92           1HG      LYS  92  -1.628   3.261 -10.032
  618    HD2  LYS  92           2HD      LYS  92   0.636   2.473 -10.643
  619    HD3  LYS  92           1HD      LYS  92   0.100   0.816 -10.355
  620    HE2  LYS  92           2HE      LYS  92  -0.200   0.975 -12.624
  621    HE3  LYS  92           1HE      LYS  92  -1.794   1.452 -12.043
  622    HZ1  LYS  92           3HZ      LYS  92  -0.560   2.862 -13.828
  623    HZ2  LYS  92           1HZ      LYS  92   0.245   3.525 -12.484
  624    HZ3  LYS  92           2HZ      LYS  92  -1.448   3.630 -12.605
  625    H    ASN  93           H        ASN  93  -2.248   4.467  -6.302
  626    HA   ASN  93           HA       ASN  93  -3.669   6.202  -8.178
  627    HB2  ASN  93           2HB      ASN  93  -4.407   3.452  -7.584
  628    HB3  ASN  93           1HB      ASN  93  -5.701   4.572  -7.180
  629   HD21  ASN  93          1HD2      ASN  93  -3.315   4.806  -9.783
  630   HD22  ASN  93          2HD2      ASN  93  -4.467   4.732 -11.070
  631    H    ILE  94           H        ILE  94  -4.703   4.480  -5.245
  632    HA   ILE  94           HA       ILE  94  -5.587   7.080  -4.177
  633    HB   ILE  94           HB       ILE  94  -6.713   4.333  -3.604
  634   HG12  ILE  94          2HG1      ILE  94  -8.339   6.264  -5.124
  635   HG13  ILE  94          1HG1      ILE  94  -6.932   5.647  -5.981
  636   HG21  ILE  94          1HG2      ILE  94  -7.021   6.742  -2.229
  637   HG22  ILE  94          2HG2      ILE  94  -8.508   6.520  -3.152
  638   HG23  ILE  94          3HG2      ILE  94  -7.964   5.264  -2.042
  639   HD11  ILE  94          3HD1      ILE  94  -9.315   4.450  -6.001
  640   HD12  ILE  94          1HD1      ILE  94  -7.788   3.578  -6.166
  641   HD13  ILE  94          2HD1      ILE  94  -8.597   3.653  -4.601
  642    H    VAL  95           H        VAL  95  -4.964   7.689  -2.145
  643    HA   VAL  95           HA       VAL  95  -3.246   5.831  -0.656
  644    HB   VAL  95           HB       VAL  95  -2.318   7.705   0.528
  645   HG11  VAL  95          1HG1      VAL  95  -2.232   7.475  -2.325
  646   HG12  VAL  95          2HG1      VAL  95  -2.024   9.164  -1.857
  647   HG13  VAL  95          3HG1      VAL  95  -0.949   7.929  -1.201
  648   HG21  VAL  95          3HG2      VAL  95  -3.078   9.893   0.490
  649   HG22  VAL  95          1HG2      VAL  95  -3.978   9.662  -1.009
  650   HG23  VAL  95          2HG2      VAL  95  -4.580   8.967   0.497
  651    H    ALA  96           H        ALA  96  -3.667   5.232   1.441
  652    HA   ALA  96           HA       ALA  96  -5.889   6.386   2.891
  653    HB1  ALA  96           1HB      ALA  96  -7.378   4.657   2.807
  654    HB2  ALA  96           2HB      ALA  96  -6.688   4.539   1.188
  655    HB3  ALA  96           3HB      ALA  96  -6.135   3.453   2.464
  656    H    CYS  97           H        CYS  97  -6.183   5.348   5.043
  657    HA   CYS  97           HA       CYS  97  -3.704   4.051   5.942
  658    HB2  CYS  97           2HB      CYS  97  -5.561   5.315   7.908
  659    HB3  CYS  97           1HB      CYS  97  -3.815   5.115   7.986
  660    H    CYS  98           H        CYS  98  -3.879   1.977   6.386
  661    HA   CYS  98           HA       CYS  98  -6.522   0.896   7.125
  662    HB2  CYS  98           2HB      CYS  98  -5.872   0.372   4.767
  663    HB3  CYS  98           1HB      CYS  98  -4.454  -0.466   5.390
  664    HA   PRO  99           HA       PRO  99  -4.042  -0.643  10.506
  665    HB2  PRO  99           2HB      PRO  99  -6.043  -1.478  12.062
  666    HB3  PRO  99           1HB      PRO  99  -5.785   0.245  11.756
  667    HG2  PRO  99           2HG      PRO  99  -7.785  -1.613  10.532
  668    HG3  PRO  99           1HG      PRO  99  -7.994   0.064  11.067
  669    HD2  PRO  99           2HD      PRO  99  -7.552  -0.724   8.443
  670    HD3  PRO  99           1HD      PRO  99  -7.241   0.903   9.081
  671    H    GLU 100           H        GLU 100  -2.945  -2.534  10.518
  672    HA   GLU 100           HA       GLU 100  -4.008  -4.933   9.399
  673    HB2  GLU 100           2HB      GLU 100  -1.522  -4.166   9.674
  674    HB3  GLU 100           1HB      GLU 100  -1.659  -4.924  11.256
  675    HG2  GLU 100           2HG      GLU 100  -1.125  -6.840  10.275
  676    HG3  GLU 100           1HG      GLU 100  -2.718  -6.802   9.512
  677    H    GLY 101           H        GLY 101  -5.715  -5.822  10.393
  678    HA2  GLY 101           1HA      GLY 101  -5.399  -7.422  12.611
  679    HA3  GLY 101           2HA      GLY 101  -6.063  -5.907  13.210
  680    H    THR 102           H        THR 102  -8.069  -5.164  12.330
  681    HA   THR 102           HA       THR 102  -9.639  -6.851  10.624
  682    HB   THR 102           HB       THR 102 -11.012  -6.417  13.225
  683    HG1  THR 102           1HG      THR 102  -8.852  -8.184  12.832
  684   HG21  THR 102          3HG2      THR 102 -11.384  -7.865  10.807
  685   HG22  THR 102          1HG2      THR 102 -12.498  -7.696  12.165
  686   HG23  THR 102          2HG2      THR 102 -11.323  -9.016  12.143
  687    H    THR 103           H        THR 103 -11.754  -5.873  10.173
  688    HA   THR 103           HA       THR 103 -13.216  -4.163   9.819
  689    HB   THR 103           HB       THR 103 -11.534  -2.446  11.665
  690    HG1  THR 103           1HG      THR 103 -13.705  -4.223  12.172
  691   HG21  THR 103          3HG2      THR 103 -14.419  -1.987  11.490
  692   HG22  THR 103          1HG2      THR 103 -13.565  -1.683   9.977
  693   HG23  THR 103          2HG2      THR 103 -13.085  -0.831  11.449
  694    H    ASN 104           H        ASN 104 -13.344  -2.259   8.504
  695    HA   ASN 104           HA       ASN 104 -11.444  -2.583   6.421
  696    HB2  ASN 104           2HB      ASN 104 -12.891  -0.655   5.398
  697    HB3  ASN 104           1HB      ASN 104 -13.552  -2.276   5.569
  698   HD21  ASN 104          1HD2      ASN 104 -13.197   0.615   7.635
  699   HD22  ASN 104          2HD2      ASN 104 -14.844   0.612   8.182
  700    H    CYS 105           H        CYS 105 -10.817  -0.567   5.139
  701    HA   CYS 105           HA       CYS 105  -9.333   1.206   6.962
  702    HB2  CYS 105           2HB      CYS 105  -8.415   1.019   4.180
  703    HB3  CYS 105           1HB      CYS 105  -7.502   0.883   5.675
  704    H    VAL 106           H        VAL 106  -9.318   3.405   6.505
  705    HA   VAL 106           HA       VAL 106 -11.485   4.246   4.735
  706    HB   VAL 106           HB       VAL 106 -12.113   5.504   6.464
  707   HG11  VAL 106          1HG1      VAL 106  -9.580   5.491   7.998
  708   HG12  VAL 106          2HG1      VAL 106 -11.242   5.257   8.541
  709   HG13  VAL 106          3HG1      VAL 106 -10.384   3.941   7.740
  710   HG21  VAL 106          3HG2      VAL 106 -11.419   7.535   5.892
  711   HG22  VAL 106          1HG2      VAL 106 -10.131   7.326   7.081
  712   HG23  VAL 106          2HG2      VAL 106  -9.838   6.935   5.387
  713    H    ALA 107           H        ALA 107 -11.090   5.273   2.914
  714    HA   ALA 107           HA       ALA 107  -8.352   6.075   2.286
  715    HB1  ALA 107           1HB      ALA 107 -10.315   6.460   0.178
  716    HB2  ALA 107           2HB      ALA 107  -8.826   5.516   0.171
  717    HB3  ALA 107           3HB      ALA 107 -10.314   4.809   0.800
  718    H    VAL 108           H        VAL 108  -7.750   8.154   1.979
  719    HA   VAL 108           HA       VAL 108  -9.767  10.177   2.615
  720    HB   VAL 108           HB       VAL 108  -7.564  11.628   2.817
  721   HG11  VAL 108          1HG1      VAL 108  -8.405  11.691   4.865
  722   HG12  VAL 108          2HG1      VAL 108  -9.212  10.142   4.623
  723   HG13  VAL 108          3HG1      VAL 108  -7.561  10.187   5.230
  724   HG21  VAL 108          3HG2      VAL 108  -5.828  10.239   2.271
  725   HG22  VAL 108          1HG2      VAL 108  -5.896   9.962   4.011
  726   HG23  VAL 108          2HG2      VAL 108  -6.631   8.802   2.902
  727    H    ASP 109           H        ASP 109  -8.449   8.867   0.008
  728    HA   ASP 109           HA       ASP 109  -7.983  11.320  -1.476
  729    HB2  ASP 109           2HB      ASP 109  -6.485   9.473  -1.993
  730    HB3  ASP 109           1HB      ASP 109  -7.855   8.438  -2.399
  731    H    ASN 110           H        ASN 110 -10.161  12.033  -1.063
  732    HA   ASN 110           HA       ASN 110 -11.782  11.315  -3.390
  733    HB2  ASN 110           2HB      ASN 110 -13.809  11.178  -2.223
  734    HB3  ASN 110           1HB      ASN 110 -12.688  10.326  -1.170
  735   HD21  ASN 110          1HD2      ASN 110 -12.086  11.247   0.779
  736   HD22  ASN 110          2HD2      ASN 110 -12.954  12.569   1.476
  737    H    ALA 111           H        ALA 111 -10.373  13.577  -1.327
  738    HA   ALA 111           HA       ALA 111 -11.802  15.818  -2.549
  739    HB1  ALA 111           1HB      ALA 111  -9.944  15.622  -0.192
  740    HB2  ALA 111           2HB      ALA 111 -10.434  17.166  -0.892
  741    HB3  ALA 111           3HB      ALA 111 -11.645  16.083  -0.208
  742    H    GLY 112           H        GLY 112  -9.239  13.886  -3.184
  743    HA2  GLY 112           1HA      GLY 112  -7.961  14.264  -5.173
  744    HA3  GLY 112           2HA      GLY 112  -7.959  15.982  -4.797
  745    H    ALA 113           H        ALA 113  -6.493  12.888  -4.147
  746    HA   ALA 113           HA       ALA 113  -4.431  14.126  -2.481
  747    HB1  ALA 113           1HB      ALA 113  -5.537  11.669  -2.346
  748    HB2  ALA 113           2HB      ALA 113  -4.126  11.316  -3.347
  749    HB3  ALA 113           3HB      ALA 113  -3.917  12.045  -1.753
  750    H    GLY 114           H        GLY 114  -2.282  12.435  -3.399
  751    HA2  GLY 114           1HA      GLY 114  -1.893  13.371  -6.160
  752    HA3  GLY 114           2HA      GLY 114  -0.692  13.763  -4.936
  753    H    THR 115           H        THR 115  -0.059  12.345  -7.233
  754    HA   THR 115           HA       THR 115   0.027   9.544  -6.811
  755    HB   THR 115           HB       THR 115   2.201  10.079  -8.394
  756    HG1  THR 115           1HG      THR 115   1.979  11.998  -9.341
  757   HG21  THR 115          3HG2      THR 115  -0.619  10.142  -9.457
  758   HG22  THR 115          1HG2      THR 115   0.122   8.671  -8.827
  759   HG23  THR 115          2HG2      THR 115   0.825   9.482 -10.225
  760    H    LYS 116           H        LYS 116   2.661  11.915  -6.693
  761    HA   LYS 116           HA       LYS 116   3.599  10.934  -4.151
  762    HB2  LYS 116           2HB      LYS 116   5.853  10.368  -4.933
  763    HB3  LYS 116           1HB      LYS 116   4.648   9.329  -5.673
  764    HG2  LYS 116           2HG      LYS 116   5.427   9.852  -7.668
  765    HG3  LYS 116           1HG      LYS 116   5.017  11.544  -7.386
  766    HD2  LYS 116           2HD      LYS 116   7.468  10.681  -6.035
  767    HD3  LYS 116           1HD      LYS 116   7.546  10.562  -7.794
  768    HE2  LYS 116           2HE      LYS 116   6.500  12.970  -7.687
  769    HE3  LYS 116           1HE      LYS 116   7.183  12.971  -6.066
  770    HZ1  LYS 116           3HZ      LYS 116   8.621  12.700  -8.643
  771    HZ2  LYS 116           1HZ      LYS 116   9.348  12.338  -7.148
  772    HZ3  LYS 116           2HZ      LYS 116   8.798  13.906  -7.466
  773    H    ALA 117           H        ALA 117   2.849  13.397  -5.994
  774    HA   ALA 117           HA       ALA 117   5.162  15.057  -5.258
  775    HB1  ALA 117           1HB      ALA 117   3.257  15.606  -7.520
  776    HB2  ALA 117           2HB      ALA 117   4.808  16.377  -7.195
  777    HB3  ALA 117           3HB      ALA 117   4.753  14.694  -7.716
  778    H    GLU 118           H        GLU 118   4.363  15.673  -3.256
  779    HA   GLU 118           HA       GLU 118   2.415  17.831  -3.410
  780    HB2  GLU 118           2HB      GLU 118   2.028  15.304  -1.946
  781    HB3  GLU 118           1HB      GLU 118   1.792  16.746  -0.968
  782    HG2  GLU 118           2HG      GLU 118   0.423  16.264  -3.603
  783    HG3  GLU 118           1HG      GLU 118  -0.269  15.837  -2.040
  Start of MODEL   13
    1    H1   SER   1           1H       SER   1  14.017 -11.506  20.527
    2    H2   SER   1           2H       SER   1  15.162 -10.278  20.337
    3    H3   SER   1           3H       SER   1  14.510 -11.055  18.970
    4    HA   SER   1           HA       SER   1  12.673  -9.835  18.956
    5    HB2  SER   1           2HB      SER   1  12.418  -9.209  21.811
    6    HB3  SER   1           1HB      SER   1  11.241  -9.919  20.704
    7    HG   SER   1           HG       SER   1  12.039 -11.317  22.461
    8    H    LEU   2           H        LEU   2  15.457  -8.844  19.035
    9    HA   LEU   2           HA       LEU   2  14.877  -6.076  19.834
   10    HB2  LEU   2           2HB      LEU   2  16.985  -7.837  20.752
   11    HB3  LEU   2           1HB      LEU   2  17.645  -6.394  20.007
   12    HG   LEU   2           HG       LEU   2  15.478  -5.994  21.996
   13   HD11  LEU   2          1HD1      LEU   2  17.564  -7.698  22.643
   14   HD12  LEU   2          2HD1      LEU   2  18.065  -6.134  23.286
   15   HD13  LEU   2          3HD1      LEU   2  16.519  -6.834  23.769
   16   HD21  LEU   2          3HD2      LEU   2  16.209  -3.948  21.434
   17   HD22  LEU   2          1HD2      LEU   2  17.514  -4.295  22.569
   18   HD23  LEU   2          2HD2      LEU   2  17.758  -4.549  20.841
   19    HA   PRO   3           HA       PRO   3  16.107  -5.517  15.545
   20    HB2  PRO   3           2HB      PRO   3  15.222  -2.778  15.865
   21    HB3  PRO   3           1HB      PRO   3  14.479  -4.066  14.914
   22    HG2  PRO   3           2HG      PRO   3  13.350  -2.993  17.159
   23    HG3  PRO   3           1HG      PRO   3  13.036  -4.640  16.591
   24    HD2  PRO   3           2HD      PRO   3  14.858  -3.703  18.770
   25    HD3  PRO   3           1HD      PRO   3  13.799  -5.131  18.716
   26    H    ALA   4           H        ALA   4  17.943  -4.659  14.668
   27    HA   ALA   4           HA       ALA   4  19.366  -2.547  16.063
   28    HB1  ALA   4           1HB      ALA   4  21.288  -3.737  16.619
   29    HB2  ALA   4           2HB      ALA   4  19.994  -4.851  17.054
   30    HB3  ALA   4           3HB      ALA   4  20.885  -5.080  15.548
   31    H    SER   5           H        SER   5  21.293  -4.633  14.183
   32    HA   SER   5           HA       SER   5  21.646  -2.704  12.116
   33    HB2  SER   5           2HB      SER   5  22.671  -5.292  11.406
   34    HB3  SER   5           1HB      SER   5  23.566  -3.855  11.909
   35    HG   SER   5           HG       SER   5  23.852  -5.706  13.305
   36    H    ALA   6           H        ALA   6  19.570  -5.366  12.626
   37    HA   ALA   6           HA       ALA   6  18.500  -5.086   9.905
   38    HB1  ALA   6           1HB      ALA   6  18.343  -7.358   9.563
   39    HB2  ALA   6           2HB      ALA   6  19.846  -7.269  10.480
   40    HB3  ALA   6           3HB      ALA   6  18.346  -7.729  11.286
   41    H    ALA   7           H        ALA   7  16.229  -6.155   9.849
   42    HA   ALA   7           HA       ALA   7  14.052  -6.052  10.468
   43    HB1  ALA   7           1HB      ALA   7  13.719  -6.167  13.099
   44    HB2  ALA   7           2HB      ALA   7  14.189  -7.576  12.147
   45    HB3  ALA   7           3HB      ALA   7  15.413  -6.660  13.030
   46    H    LYS   8           H        LYS   8  14.988  -3.696   9.756
   47    HA   LYS   8           HA       LYS   8  13.585  -1.844  11.528
   48    HB2  LYS   8           2HB      LYS   8  15.403  -0.128  11.041
   49    HB3  LYS   8           1HB      LYS   8  15.809  -1.395  12.189
   50    HG2  LYS   8           2HG      LYS   8  17.133  -2.540  10.574
   51    HG3  LYS   8           1HG      LYS   8  16.565  -1.483   9.279
   52    HD2  LYS   8           2HD      LYS   8  17.857  -0.178  11.604
   53    HD3  LYS   8           1HD      LYS   8  18.902  -1.124  10.541
   54    HE2  LYS   8           2HE      LYS   8  18.831   0.428   8.939
   55    HE3  LYS   8           1HE      LYS   8  17.077   0.568   9.052
   56    HZ1  LYS   8           3HZ      LYS   8  19.123   2.007  10.645
   57    HZ2  LYS   8           1HZ      LYS   8  17.489   1.958  11.101
   58    HZ3  LYS   8           2HZ      LYS   8  17.942   2.666   9.629
   59    H    ASN   9           H        ASN   9  12.717  -3.074   9.187
   60    HA   ASN   9           HA       ASN   9  13.079  -1.348   6.922
   61    HB2  ASN   9           2HB      ASN   9  11.086  -2.844   6.082
   62    HB3  ASN   9           1HB      ASN   9  12.696  -3.533   6.255
   63   HD21  ASN   9          1HD2      ASN   9   9.453  -3.589   7.323
   64   HD22  ASN   9          2HD2      ASN   9   9.610  -4.901   8.437
   65    H    ALA  10           H        ALA  10  12.423   0.590   8.180
   66    HA   ALA  10           HA       ALA  10   9.583   0.895   8.674
   67    HB1  ALA  10           1HB      ALA  10  10.217   2.462  10.111
   68    HB2  ALA  10           2HB      ALA  10  11.891   2.070   9.717
   69    HB3  ALA  10           3HB      ALA  10  11.059   3.355   8.843
   70    H    LYS  11           H        LYS  11  11.920   1.791   6.226
   71    HA   LYS  11           HA       LYS  11   9.952   3.538   4.930
   72    HB2  LYS  11           2HB      LYS  11  12.893   3.403   4.955
   73    HB3  LYS  11           1HB      LYS  11  12.192   3.716   3.377
   74    HG2  LYS  11           2HG      LYS  11  10.967   5.631   4.328
   75    HG3  LYS  11           1HG      LYS  11  11.747   5.331   5.882
   76    HD2  LYS  11           2HD      LYS  11  13.719   5.452   3.798
   77    HD3  LYS  11           1HD      LYS  11  12.703   6.894   3.753
   78    HE2  LYS  11           2HE      LYS  11  13.094   6.959   6.308
   79    HE3  LYS  11           1HE      LYS  11  14.441   5.873   5.969
   80    HZ1  LYS  11           3HZ      LYS  11  14.406   8.137   4.221
   81    HZ2  LYS  11           1HZ      LYS  11  15.659   7.543   5.201
   82    HZ3  LYS  11           2HZ      LYS  11  14.501   8.595   5.855
   83    H    LEU  12           H        LEU  12   9.352   3.235   2.780
   84    HA   LEU  12           HA       LEU  12   9.231   0.486   1.944
   85    HB2  LEU  12           2HB      LEU  12   8.113   3.077   0.985
   86    HB3  LEU  12           1HB      LEU  12   8.165   1.735  -0.138
   87    HG   LEU  12           HG       LEU  12   6.887   0.407   1.640
   88   HD11  LEU  12          1HD1      LEU  12   5.836   1.496   3.384
   89   HD12  LEU  12          2HD1      LEU  12   7.417   2.278   3.358
   90   HD13  LEU  12          3HD1      LEU  12   6.021   3.085   2.641
   91   HD21  LEU  12          3HD2      LEU  12   5.887   1.208  -0.439
   92   HD22  LEU  12          1HD2      LEU  12   4.743   1.325   0.900
   93   HD23  LEU  12          2HD2      LEU  12   5.565   2.773   0.312
   94    H    ALA  13           H        ALA  13  11.718   0.597   1.941
   95    HA   ALA  13           HA       ALA  13  13.639   0.293   0.771
   96    HB1  ALA  13           1HB      ALA  13  12.027  -0.618  -0.988
   97    HB2  ALA  13           2HB      ALA  13  12.223   0.938  -1.796
   98    HB3  ALA  13           3HB      ALA  13  13.623  -0.103  -1.537
   99    H    THR  14           H        THR  14  11.753   3.113   0.314
  100    HA   THR  14           HA       THR  14  13.926   4.876   0.649
  101    HB   THR  14           HB       THR  14  14.619   4.850  -1.549
  102    HG1  THR  14           1HG      THR  14  12.722   6.474  -2.544
  103   HG21  THR  14          3HG2      THR  14  12.595   4.755  -3.367
  104   HG22  THR  14          1HG2      THR  14  11.946   3.750  -2.073
  105   HG23  THR  14          2HG2      THR  14  13.500   3.350  -2.805
  106    H    SER  15           H        SER  15  10.663   4.377  -0.584
  107    HA   SER  15           HA       SER  15   8.685   5.441  -0.281
  108    HB2  SER  15           2HB      SER  15  10.179   6.425   2.148
  109    HB3  SER  15           1HB      SER  15   8.517   6.923   1.818
  110    HG   SER  15           HG       SER  15   7.820   4.923   2.175
  111    H    ALA  16           H        ALA  16  10.903   8.022   0.789
  112    HA   ALA  16           HA       ALA  16  11.060  10.208   0.197
  113    HB1  ALA  16           1HB      ALA  16  11.750  10.572  -1.963
  114    HB2  ALA  16           2HB      ALA  16  11.949   8.824  -1.841
  115    HB3  ALA  16           3HB      ALA  16  10.533   9.496  -2.651
  116    H    ALA  17           H        ALA  17   8.985   9.680  -2.562
  117    HA   ALA  17           HA       ALA  17   7.195  11.742  -1.874
  118    HB1  ALA  17           1HB      ALA  17   5.757  10.376  -3.660
  119    HB2  ALA  17           2HB      ALA  17   7.120  11.398  -4.116
  120    HB3  ALA  17           3HB      ALA  17   7.336   9.652  -3.969
  121    H    PHE  18           H        PHE  18   7.189   8.286  -1.282
  122    HA   PHE  18           HA       PHE  18   4.521   8.095  -0.313
  123    HB2  PHE  18           2HB      PHE  18   6.044   6.173  -1.026
  124    HB3  PHE  18           1HB      PHE  18   6.831   6.339   0.539
  125    HD1  PHE  18           1HD      PHE  18   5.562   5.860   2.617
  126    HD2  PHE  18           2HD      PHE  18   3.933   5.126  -1.243
  127    HE1  PHE  18           1HE      PHE  18   3.855   4.407   3.622
  128    HE2  PHE  18           2HE      PHE  18   2.224   3.668  -0.245
  129    HZ   PHE  18           HZ       PHE  18   2.182   3.309   2.192
  130    H    ALA  19           H        ALA  19   7.591   8.952   1.117
  131    HA   ALA  19           HA       ALA  19   6.739   8.907   3.823
  132    HB1  ALA  19           1HB      ALA  19   8.875  10.761   2.888
  133    HB2  ALA  19           2HB      ALA  19   8.794   9.783   4.352
  134    HB3  ALA  19           3HB      ALA  19   9.134   9.020   2.799
  135    H    LYS  20           H        LYS  20   6.774  11.395   1.311
  136    HA   LYS  20           HA       LYS  20   5.790  13.510   2.912
  137    HB2  LYS  20           2HB      LYS  20   5.299  13.052  -0.041
  138    HB3  LYS  20           1HB      LYS  20   5.139  14.576   0.820
  139    HG2  LYS  20           2HG      LYS  20   7.411  14.880   0.990
  140    HG3  LYS  20           1HG      LYS  20   7.759  13.156   0.836
  141    HD2  LYS  20           2HD      LYS  20   7.500  13.177  -1.467
  142    HD3  LYS  20           1HD      LYS  20   6.530  14.650  -1.445
  143    HE2  LYS  20           2HE      LYS  20   8.784  15.661  -0.463
  144    HE3  LYS  20           1HE      LYS  20   9.480  14.303  -1.351
  145    HZ1  LYS  20           3HZ      LYS  20   9.472  15.965  -2.915
  146    HZ2  LYS  20           1HZ      LYS  20   7.998  16.630  -2.383
  147    HZ3  LYS  20           2HZ      LYS  20   8.017  15.181  -3.262
  148    H    GLN  21           H        GLN  21   4.260  10.945   1.091
  149    HA   GLN  21           HA       GLN  21   1.579  11.630   1.449
  150    HB2  GLN  21           2HB      GLN  21   3.067   9.450   0.444
  151    HB3  GLN  21           1HB      GLN  21   1.963   8.784   1.638
  152    HG2  GLN  21           2HG      GLN  21   0.095   9.891   0.470
  153    HG3  GLN  21           1HG      GLN  21   1.230  10.449  -0.759
  154   HE21  GLN  21          1HE2      GLN  21  -0.725   7.907   0.312
  155   HE22  GLN  21          2HE2      GLN  21  -0.268   6.728  -0.858
  156    H    ALA  22           H        ALA  22   3.829   9.855   3.514
  157    HA   ALA  22           HA       ALA  22   1.899   9.190   5.513
  158    HB1  ALA  22           1HB      ALA  22   4.909   9.240   5.676
  159    HB2  ALA  22           2HB      ALA  22   3.822   8.502   6.853
  160    HB3  ALA  22           3HB      ALA  22   3.912   7.860   5.213
  161    H    GLU  23           H        GLU  23   3.615  12.010   4.767
  162    HA   GLU  23           HA       GLU  23   3.481  13.072   7.468
  163    HB2  GLU  23           2HB      GLU  23   5.487  13.685   6.441
  164    HB3  GLU  23           1HB      GLU  23   4.716  13.987   4.891
  165    HG2  GLU  23           2HG      GLU  23   4.454  16.133   5.356
  166    HG3  GLU  23           1HG      GLU  23   3.699  15.773   6.910
  167    H    GLY  24           H        GLY  24   2.016  13.580   4.290
  168    HA2  GLY  24           1HA      GLY  24   0.501  15.873   5.115
  169    HA3  GLY  24           2HA      GLY  24   0.316  14.987   3.608
  170    H    THR  25           H        THR  25  -0.056  12.439   5.096
  171    HA   THR  25           HA       THR  25  -2.828  12.892   5.982
  172    HB   THR  25           HB       THR  25  -2.290  10.139   5.279
  173    HG1  THR  25           1HG      THR  25  -0.777  10.982   3.800
  174   HG21  THR  25          3HG2      THR  25  -4.251  12.277   4.629
  175   HG22  THR  25          1HG2      THR  25  -4.518  10.632   5.199
  176   HG23  THR  25          2HG2      THR  25  -4.129  10.923   3.505
  177    H    THR  26           H        THR  26  -3.569  11.767   7.820
  178    HA   THR  26           HA       THR  26  -1.405  11.054   9.636
  179    HB   THR  26           HB       THR  26  -4.281  11.023  10.447
  180    HG1  THR  26           1HG      THR  26  -2.730  13.326   9.820
  181   HG21  THR  26          3HG2      THR  26  -2.781  10.476  12.189
  182   HG22  THR  26          1HG2      THR  26  -3.218  12.163  12.468
  183   HG23  THR  26          2HG2      THR  26  -1.664  11.762  11.735
  184    H    CYS  27           H        CYS  27  -0.800   9.061   8.839
  185    HA   CYS  27           HA       CYS  27  -2.160   6.943  10.199
  186    HB2  CYS  27           2HB      CYS  27  -1.647   5.713   7.709
  187    HB3  CYS  27           1HB      CYS  27  -3.210   5.972   8.466
  188    H    ASN  28           H        ASN  28  -0.670   5.541  10.968
  189    HA   ASN  28           HA       ASN  28   2.110   6.046  10.122
  190    HB2  ASN  28           2HB      ASN  28   2.523   5.052  12.535
  191    HB3  ASN  28           1HB      ASN  28   2.107   6.749  12.321
  192   HD21  ASN  28          1HD2      ASN  28   1.299   3.853  13.835
  193   HD22  ASN  28          2HD2      ASN  28  -0.240   4.331  14.473
  194    H    VAL  29           H        VAL  29   3.510   4.034  11.118
  195    HA   VAL  29           HA       VAL  29   2.934   1.816   9.515
  196    HB   VAL  29           HB       VAL  29   4.642   2.043  11.986
  197   HG11  VAL  29          1HG1      VAL  29   3.601  -0.332  11.049
  198   HG12  VAL  29          2HG1      VAL  29   5.181  -0.248  10.268
  199   HG13  VAL  29          3HG1      VAL  29   5.060  -0.154  12.025
  200   HG21  VAL  29          3HG2      VAL  29   5.290   1.872   9.046
  201   HG22  VAL  29          1HG2      VAL  29   5.479   3.280  10.091
  202   HG23  VAL  29          2HG2      VAL  29   6.485   1.852  10.341
  203    H    GLY  30           H        GLY  30   1.369   0.391   9.663
  204    HA2  GLY  30           1HA      GLY  30   0.224  -1.310  10.988
  205    HA3  GLY  30           2HA      GLY  30   0.197  -0.148  12.313
  206    H    SER  31           H        SER  31  -0.400   2.047  10.345
  207    HA   SER  31           HA       SER  31  -3.184   1.328   9.705
  208    HB2  SER  31           2HB      SER  31  -3.217   4.067  10.224
  209    HB3  SER  31           1HB      SER  31  -3.830   2.797  11.282
  210    HG   SER  31           HG       SER  31  -2.375   3.489  12.618
  211    H    ILE  32           H        ILE  32  -0.342   2.032   8.354
  212    HA   ILE  32           HA       ILE  32  -1.345   3.980   6.422
  213    HB   ILE  32           HB       ILE  32   0.996   4.040   7.627
  214   HG12  ILE  32          2HG1      ILE  32   0.823   4.649   4.682
  215   HG13  ILE  32          1HG1      ILE  32   0.033   5.620   5.922
  216   HG21  ILE  32          1HG2      ILE  32   1.434   2.092   5.410
  217   HG22  ILE  32          2HG2      ILE  32   2.720   3.204   5.879
  218   HG23  ILE  32          3HG2      ILE  32   2.054   2.075   7.060
  219   HD11  ILE  32          3HD1      ILE  32   2.509   5.606   6.909
  220   HD12  ILE  32          1HD1      ILE  32   2.883   5.420   5.196
  221   HD13  ILE  32          2HD1      ILE  32   1.940   6.805   5.747
  222    H    ALA  33           H        ALA  33  -1.870   3.487   4.378
  223    HA   ALA  33           HA       ALA  33  -1.039   0.962   3.222
  224    HB1  ALA  33           1HB      ALA  33  -2.969   0.273   4.496
  225    HB2  ALA  33           2HB      ALA  33  -3.937   1.570   3.791
  226    HB3  ALA  33           3HB      ALA  33  -3.358   0.251   2.776
  227    H    CYS  34           H        CYS  34  -1.982   0.688   1.004
  228    HA   CYS  34           HA       CYS  34  -2.728   3.252  -0.258
  229    HB2  CYS  34           2HB      CYS  34  -1.215   0.987  -1.588
  230    HB3  CYS  34           1HB      CYS  34  -1.622   2.542  -2.305
  231    H    CYS  35           H        CYS  35  -4.468   3.163  -1.653
  232    HA   CYS  35           HA       CYS  35  -5.806   0.549  -1.846
  233    HB2  CYS  35           2HB      CYS  35  -6.814   3.233  -1.125
  234    HB3  CYS  35           1HB      CYS  35  -7.820   2.339  -2.260
  235    H    ASN  36           H        ASN  36  -6.689  -0.017  -3.846
  236    HA   ASN  36           HA       ASN  36  -6.123   1.848  -6.048
  237    HB2  ASN  36           2HB      ASN  36  -4.480  -0.205  -5.695
  238    HB3  ASN  36           1HB      ASN  36  -5.762  -1.073  -6.536
  239   HD21  ASN  36          1HD2      ASN  36  -3.804  -1.290  -8.002
  240   HD22  ASN  36          2HD2      ASN  36  -3.675  -0.101  -9.258
  241    H    SER  37           H        SER  37  -7.326   1.466  -7.972
  242    HA   SER  37           HA       SER  37 -10.038   1.049  -7.687
  243    HB2  SER  37           2HB      SER  37  -8.883   0.361 -10.312
  244    HB3  SER  37           1HB      SER  37 -10.099   1.568  -9.899
  245    HG   SER  37           HG       SER  37  -7.422   1.872 -10.266
  246    HA   PRO  38           HA       PRO  38 -10.650  -3.245  -7.115
  247    HB2  PRO  38           2HB      PRO  38 -12.942  -3.580  -8.661
  248    HB3  PRO  38           1HB      PRO  38 -12.906  -3.048  -6.978
  249    HG2  PRO  38           2HG      PRO  38 -13.156  -1.435  -9.475
  250    HG3  PRO  38           1HG      PRO  38 -13.918  -1.192  -7.892
  251    HD2  PRO  38           2HD      PRO  38 -11.833   0.298  -8.703
  252    HD3  PRO  38           1HD      PRO  38 -12.040  -0.169  -7.003
  253    H    ALA  39           H        ALA  39 -10.944  -2.100 -10.467
  254    HA   ALA  39           HA       ALA  39 -10.649  -4.637 -11.679
  255    HB1  ALA  39           1HB      ALA  39 -11.617  -2.832 -12.918
  256    HB2  ALA  39           2HB      ALA  39 -10.150  -1.867 -12.750
  257    HB3  ALA  39           3HB      ALA  39 -10.134  -3.330 -13.732
  258    H    GLU  40           H        GLU  40  -8.376  -2.611 -10.154
  259    HA   GLU  40           HA       GLU  40  -6.128  -3.894 -11.536
  260    HB2  GLU  40           2HB      GLU  40  -6.031  -1.584  -9.595
  261    HB3  GLU  40           1HB      GLU  40  -4.726  -2.157 -10.622
  262    HG2  GLU  40           2HG      GLU  40  -6.007  -1.486 -12.602
  263    HG3  GLU  40           1HG      GLU  40  -7.286  -0.879 -11.549
  264    H    THR  41           H        THR  41  -7.447  -3.254  -8.307
  265    HA   THR  41           HA       THR  41  -5.483  -4.757  -6.920
  266    HB   THR  41           HB       THR  41  -7.413  -3.020  -6.136
  267    HG1  THR  41           1HG      THR  41  -5.869  -4.921  -4.743
  268   HG21  THR  41          3HG2      THR  41  -8.389  -5.715  -5.193
  269   HG22  THR  41          1HG2      THR  41  -9.210  -4.690  -6.370
  270   HG23  THR  41          2HG2      THR  41  -9.016  -4.140  -4.704
  271    H    ASN  42           H        ASN  42  -8.366  -5.619  -8.633
  272    HA   ASN  42           HA       ASN  42  -8.240  -8.370  -7.603
  273    HB2  ASN  42           2HB      ASN  42 -10.410  -6.631  -8.514
  274    HB3  ASN  42           1HB      ASN  42 -10.453  -8.224  -9.259
  275   HD21  ASN  42          1HD2      ASN  42  -9.875  -6.783  -6.083
  276   HD22  ASN  42          2HD2      ASN  42 -10.832  -7.915  -5.197
  277    H    ASN  43           H        ASN  43  -6.600  -6.882  -9.726
  278    HA   ASN  43           HA       ASN  43  -7.262  -7.865 -12.274
  279    HB2  ASN  43           2HB      ASN  43  -5.582  -5.998 -11.513
  280    HB3  ASN  43           1HB      ASN  43  -4.415  -7.317 -11.538
  281   HD21  ASN  43          1HD2      ASN  43  -6.681  -5.465 -13.474
  282   HD22  ASN  43          2HD2      ASN  43  -5.932  -5.804 -15.000
  283    H    ASP  44           H        ASP  44  -5.591  -9.374  -9.628
  284    HA   ASP  44           HA       ASP  44  -5.094 -11.710 -11.350
  285    HB2  ASP  44           2HB      ASP  44  -2.996 -10.561 -10.546
  286    HB3  ASP  44           1HB      ASP  44  -3.472 -10.986  -8.903
  287    H    SER  45           H        SER  45  -5.421 -13.752 -10.416
  288    HA   SER  45           HA       SER  45  -7.682 -13.934  -8.747
  289    HB2  SER  45           2HB      SER  45  -6.328 -16.429  -8.802
  290    HB3  SER  45           1HB      SER  45  -7.710 -15.928  -9.779
  291    HG   SER  45           HG       SER  45  -4.984 -15.982 -10.414
  292    H    LEU  46           H        LEU  46  -4.223 -14.210  -8.146
  293    HA   LEU  46           HA       LEU  46  -4.724 -14.992  -5.379
  294    HB2  LEU  46           2HB      LEU  46  -2.828 -15.854  -7.008
  295    HB3  LEU  46           1HB      LEU  46  -1.991 -14.428  -6.422
  296    HG   LEU  46           HG       LEU  46  -2.817 -15.523  -4.076
  297   HD11  LEU  46          1HD1      LEU  46  -3.374 -17.659  -4.281
  298   HD12  LEU  46          2HD1      LEU  46  -3.118 -17.586  -6.024
  299   HD13  LEU  46          3HD1      LEU  46  -1.779 -17.999  -4.950
  300   HD21  LEU  46          3HD2      LEU  46  -0.322 -15.680  -5.679
  301   HD22  LEU  46          1HD2      LEU  46  -0.631 -14.874  -4.144
  302   HD23  LEU  46          2HD2      LEU  46  -0.430 -16.626  -4.193
  303    H    LEU  47           H        LEU  47  -4.260 -12.214  -7.239
  304    HA   LEU  47           HA       LEU  47  -2.821 -10.552  -5.499
  305    HB2  LEU  47           2HB      LEU  47  -3.923 -10.281  -7.978
  306    HB3  LEU  47           1HB      LEU  47  -4.969  -9.250  -7.021
  307    HG   LEU  47           HG       LEU  47  -3.070  -7.918  -6.307
  308   HD11  LEU  47          1HD1      LEU  47  -1.584 -10.204  -7.013
  309   HD12  LEU  47          2HD1      LEU  47  -1.056  -8.906  -8.084
  310   HD13  LEU  47          3HD1      LEU  47  -0.984  -8.688  -6.335
  311   HD21  LEU  47          3HD2      LEU  47  -3.540  -6.765  -8.151
  312   HD22  LEU  47          1HD2      LEU  47  -2.260  -7.663  -8.969
  313   HD23  LEU  47          2HD2      LEU  47  -3.926  -8.240  -9.035
  314    H    SER  48           H        SER  48  -6.261 -11.273  -5.720
  315    HA   SER  48           HA       SER  48  -7.124  -9.293  -3.910
  316    HB2  SER  48           2HB      SER  48  -8.958 -11.444  -3.865
  317    HB3  SER  48           1HB      SER  48  -9.053  -9.962  -4.824
  318    HG   SER  48           HG       SER  48  -8.717 -11.163  -6.500
  319    H    GLY  49           H        GLY  49  -5.921 -12.546  -3.503
  320    HA2  GLY  49           1HA      GLY  49  -6.633 -12.657  -0.693
  321    HA3  GLY  49           2HA      GLY  49  -5.710 -13.857  -1.587
  322    H    LEU  50           H        LEU  50  -3.877 -11.853  -2.657
  323    HA   LEU  50           HA       LEU  50  -1.894 -11.898  -0.633
  324    HB2  LEU  50           2HB      LEU  50  -2.079 -11.317  -3.410
  325    HB3  LEU  50           1HB      LEU  50  -1.283  -9.960  -2.636
  326    HG   LEU  50           HG       LEU  50   0.553 -11.219  -1.996
  327   HD11  LEU  50          1HD1      LEU  50  -1.304 -13.193  -1.385
  328   HD12  LEU  50          2HD1      LEU  50  -0.264 -13.924  -2.608
  329   HD13  LEU  50          3HD1      LEU  50   0.441 -13.266  -1.133
  330   HD21  LEU  50          3HD2      LEU  50   1.159 -11.286  -4.139
  331   HD22  LEU  50          1HD2      LEU  50   0.640 -12.970  -4.127
  332   HD23  LEU  50          2HD2      LEU  50  -0.469 -11.711  -4.669
  333    H    LEU  51           H        LEU  51  -4.382  -9.707  -1.432
  334    HA   LEU  51           HA       LEU  51  -3.396  -7.256  -0.578
  335    HB2  LEU  51           2HB      LEU  51  -6.014  -8.453  -1.044
  336    HB3  LEU  51           1HB      LEU  51  -6.042  -7.262   0.239
  337    HG   LEU  51           HG       LEU  51  -6.354  -5.747  -1.363
  338   HD11  LEU  51          1HD1      LEU  51  -3.619  -6.028  -1.042
  339   HD12  LEU  51          2HD1      LEU  51  -3.853  -5.933  -2.787
  340   HD13  LEU  51          3HD1      LEU  51  -4.468  -4.650  -1.742
  341   HD21  LEU  51          3HD2      LEU  51  -5.642  -6.414  -3.829
  342   HD22  LEU  51          1HD2      LEU  51  -5.712  -8.034  -3.130
  343   HD23  LEU  51          2HD2      LEU  51  -7.137  -6.992  -3.090
  344    H    GLY  52           H        GLY  52  -4.505 -10.001   1.263
  345    HA2  GLY  52           1HA      GLY  52  -3.735  -8.580   3.716
  346    HA3  GLY  52           2HA      GLY  52  -5.284  -9.411   3.645
  347    H    ALA  53           H        ALA  53  -1.891  -9.732   4.052
  348    HA   ALA  53           HA       ALA  53  -1.780 -12.583   3.878
  349    HB1  ALA  53           1HB      ALA  53   0.162 -10.849   5.387
  350    HB2  ALA  53           2HB      ALA  53   0.459 -12.400   4.602
  351    HB3  ALA  53           3HB      ALA  53   0.167 -10.956   3.629
  352    H    GLY  54           H        GLY  54  -3.921 -12.313   5.319
  353    HA2  GLY  54           1HA      GLY  54  -3.658 -13.760   7.610
  354    HA3  GLY  54           2HA      GLY  54  -3.485 -12.095   8.152
  355    H    LEU  55           H        LEU  55  -5.311 -11.159   8.793
  356    HA   LEU  55           HA       LEU  55  -7.839 -12.157   7.651
  357    HB2  LEU  55           2HB      LEU  55  -6.963 -11.792  10.436
  358    HB3  LEU  55           1HB      LEU  55  -8.535 -11.099  10.089
  359    HG   LEU  55           HG       LEU  55  -9.193 -13.364   9.155
  360   HD11  LEU  55          1HD1      LEU  55  -6.483 -13.899   9.477
  361   HD12  LEU  55          2HD1      LEU  55  -7.271 -14.790  10.778
  362   HD13  LEU  55          3HD1      LEU  55  -7.755 -15.063   9.105
  363   HD21  LEU  55          3HD2      LEU  55 -10.215 -13.010  11.149
  364   HD22  LEU  55          1HD2      LEU  55  -9.152 -14.332  11.635
  365   HD23  LEU  55          2HD2      LEU  55  -8.705 -12.664  11.991
  366    H    LEU  56           H        LEU  56  -6.811 -10.192   6.248
  367    HA   LEU  56           HA       LEU  56  -7.500  -7.599   7.363
  368    HB2  LEU  56           2HB      LEU  56  -5.953  -8.578   5.036
  369    HB3  LEU  56           1HB      LEU  56  -6.714  -7.008   4.872
  370    HG   LEU  56           HG       LEU  56  -4.709  -6.326   5.697
  371   HD11  LEU  56          1HD1      LEU  56  -4.966  -6.647   8.420
  372   HD12  LEU  56          2HD1      LEU  56  -5.617  -5.318   7.461
  373   HD13  LEU  56          3HD1      LEU  56  -6.632  -6.708   7.845
  374   HD21  LEU  56          3HD2      LEU  56  -3.137  -7.619   6.791
  375   HD22  LEU  56          1HD2      LEU  56  -4.356  -8.637   7.559
  376   HD23  LEU  56          2HD2      LEU  56  -4.013  -8.817   5.838
  377    H    ASN  57           H        ASN  57  -8.644  -6.026   5.934
  378    HA   ASN  57           HA       ASN  57 -10.821  -7.260   4.417
  379    HB2  ASN  57           2HB      ASN  57 -11.422  -6.644   6.818
  380    HB3  ASN  57           1HB      ASN  57 -11.192  -4.967   6.347
  381   HD21  ASN  57          1HD2      ASN  57 -13.410  -4.892   7.132
  382   HD22  ASN  57          2HD2      ASN  57 -14.684  -5.217   6.016
  383    H    GLY  58           H        GLY  58 -12.132  -5.147   3.482
  384    HA2  GLY  58           1HA      GLY  58 -10.032  -3.803   1.908
  385    HA3  GLY  58           2HA      GLY  58 -11.681  -4.076   1.374
  386    H    LEU  59           H        LEU  59 -11.885  -1.876   0.814
  387    HA   LEU  59           HA       LEU  59 -11.435   0.251   2.633
  388    HB2  LEU  59           2HB      LEU  59 -11.690   0.232   0.042
  389    HB3  LEU  59           1HB      LEU  59 -13.405   0.376   0.375
  390    HG   LEU  59           HG       LEU  59 -13.121   2.511   1.395
  391   HD11  LEU  59          1HD1      LEU  59 -10.254   1.725   1.470
  392   HD12  LEU  59          2HD1      LEU  59 -10.667   3.436   1.356
  393   HD13  LEU  59          3HD1      LEU  59 -11.256   2.475   2.712
  394   HD21  LEU  59          3HD2      LEU  59 -13.226   2.862  -0.891
  395   HD22  LEU  59          1HD2      LEU  59 -11.738   3.704  -0.458
  396   HD23  LEU  59          2HD2      LEU  59 -11.662   2.099  -1.185
  397    H    SER  60           H        SER  60 -12.828   1.393   3.927
  398    HA   SER  60           HA       SER  60 -14.860   0.008   5.247
  399    HB2  SER  60           2HB      SER  60 -14.128   2.934   5.146
  400    HB3  SER  60           1HB      SER  60 -15.426   2.326   6.170
  401    HG   SER  60           HG       SER  60 -13.755   2.159   7.498
  402    H    GLY  61           H        GLY  61 -16.431  -0.769   3.901
  403    HA2  GLY  61           1HA      GLY  61 -18.717  -0.456   3.330
  404    HA3  GLY  61           2HA      GLY  61 -18.379   1.242   3.029
  405    H    ASN  62           H        ASN  62 -15.858   0.020   1.546
  406    HA   ASN  62           HA       ASN  62 -17.303  -0.098  -1.004
  407    HB2  ASN  62           2HB      ASN  62 -15.360   1.555  -0.506
  408    HB3  ASN  62           1HB      ASN  62 -14.326   0.155  -0.782
  409   HD21  ASN  62          1HD2      ASN  62 -16.264   2.570  -2.188
  410   HD22  ASN  62          2HD2      ASN  62 -16.023   2.125  -3.848
  411    H    THR  63           H        THR  63 -17.931  -2.237  -1.012
  412    HA   THR  63           HA       THR  63 -16.094  -4.395  -0.683
  413    HB   THR  63           HB       THR  63 -18.678  -4.703  -2.153
  414    HG1  THR  63           1HG      THR  63 -19.725  -3.805  -0.542
  415   HG21  THR  63          3HG2      THR  63 -18.787  -6.762  -0.837
  416   HG22  THR  63          1HG2      THR  63 -17.313  -6.300   0.015
  417   HG23  THR  63          2HG2      THR  63 -17.260  -6.654  -1.709
  418    H    GLY  64           H        GLY  64 -14.518  -3.397  -2.234
  419    HA2  GLY  64           1HA      GLY  64 -14.428  -4.891  -4.619
  420    HA3  GLY  64           2HA      GLY  64 -14.947  -3.253  -4.997
  421    H    SER  65           H        SER  65 -13.528  -1.721  -3.316
  422    HA   SER  65           HA       SER  65 -10.804  -2.079  -4.262
  423    HB2  SER  65           2HB      SER  65 -12.434   0.186  -3.275
  424    HB3  SER  65           1HB      SER  65 -10.720   0.246  -2.878
  425    HG   SER  65           HG       SER  65 -10.236   0.087  -5.073
  426    H    ALA  66           H        ALA  66  -9.142  -2.710  -3.005
  427    HA   ALA  66           HA       ALA  66  -9.637  -2.983  -0.115
  428    HB1  ALA  66           1HB      ALA  66  -9.119  -5.142  -0.280
  429    HB2  ALA  66           2HB      ALA  66  -8.927  -4.960  -2.023
  430    HB3  ALA  66           3HB      ALA  66  -7.542  -4.728  -0.953
  431    H    CYS  67           H        CYS  67  -7.572  -2.970   1.192
  432    HA   CYS  67           HA       CYS  67  -5.599  -1.143   0.013
  433    HB2  CYS  67           2HB      CYS  67  -7.418  -0.667   2.207
  434    HB3  CYS  67           1HB      CYS  67  -5.752  -0.570   2.761
  435    H    ALA  68           H        ALA  68  -3.571  -1.824   0.253
  436    HA   ALA  68           HA       ALA  68  -3.051  -3.922   2.254
  437    HB1  ALA  68           1HB      ALA  68  -1.635  -4.975   0.846
  438    HB2  ALA  68           2HB      ALA  68  -2.612  -4.165  -0.377
  439    HB3  ALA  68           3HB      ALA  68  -1.064  -3.473   0.116
  440    H    LYS  69           H        LYS  69  -1.129  -3.811   3.469
  441    HA   LYS  69           HA       LYS  69  -0.425  -1.047   4.072
  442    HB2  LYS  69           2HB      LYS  69  -0.379  -3.626   5.570
  443    HB3  LYS  69           1HB      LYS  69   0.763  -2.377   6.043
  444    HG2  LYS  69           2HG      LYS  69  -1.235  -2.259   7.399
  445    HG3  LYS  69           1HG      LYS  69  -1.093  -0.818   6.392
  446    HD2  LYS  69           2HD      LYS  69  -3.358  -1.436   6.259
  447    HD3  LYS  69           1HD      LYS  69  -2.649  -2.014   4.747
  448    HE2  LYS  69           2HE      LYS  69  -2.752  -4.226   5.404
  449    HE3  LYS  69           1HE      LYS  69  -2.777  -3.821   7.125
  450    HZ1  LYS  69           3HZ      LYS  69  -5.001  -3.488   7.109
  451    HZ2  LYS  69           1HZ      LYS  69  -4.935  -4.560   5.801
  452    HZ3  LYS  69           2HZ      LYS  69  -5.033  -2.894   5.522
  453    H    ALA  70           H        ALA  70   1.902  -0.692   4.804
  454    HA   ALA  70           HA       ALA  70   3.605  -1.144   2.624
  455    HB1  ALA  70           1HB      ALA  70   3.718   0.683   4.421
  456    HB2  ALA  70           2HB      ALA  70   4.651  -0.494   5.348
  457    HB3  ALA  70           3HB      ALA  70   5.231   0.044   3.773
  458    H    SER  71           H        SER  71   3.185  -2.884   5.643
  459    HA   SER  71           HA       SER  71   5.421  -4.576   5.461
  460    HB2  SER  71           2HB      SER  71   3.174  -5.946   6.609
  461    HB3  SER  71           1HB      SER  71   4.568  -5.243   7.431
  462    HG   SER  71           HG       SER  71   2.121  -4.427   7.629
  463    H    LEU  72           H        LEU  72   2.064  -4.983   4.371
  464    HA   LEU  72           HA       LEU  72   2.316  -7.460   3.131
  465    HB2  LEU  72           2HB      LEU  72   0.394  -5.343   3.247
  466    HB3  LEU  72           1HB      LEU  72   0.547  -5.878   1.586
  467    HG   LEU  72           HG       LEU  72  -1.134  -7.244   2.321
  468   HD11  LEU  72          1HD1      LEU  72   1.340  -8.784   3.089
  469   HD12  LEU  72          2HD1      LEU  72  -0.236  -9.478   2.713
  470   HD13  LEU  72          3HD1      LEU  72   0.678  -8.634   1.461
  471   HD21  LEU  72          3HD2      LEU  72   0.015  -6.696   4.930
  472   HD22  LEU  72          1HD2      LEU  72  -1.652  -7.054   4.482
  473   HD23  LEU  72          2HD2      LEU  72  -0.512  -8.368   4.768
  474    H    ILE  73           H        ILE  73   2.947  -4.211   1.920
  475    HA   ILE  73           HA       ILE  73   3.419  -4.863  -0.758
  476    HB   ILE  73           HB       ILE  73   4.407  -2.602   0.963
  477   HG12  ILE  73          2HG1      ILE  73   2.685  -2.270  -1.438
  478   HG13  ILE  73          1HG1      ILE  73   1.960  -3.043  -0.033
  479   HG21  ILE  73          1HG2      ILE  73   5.135  -1.511  -1.155
  480   HG22  ILE  73          2HG2      ILE  73   6.120  -2.900  -0.696
  481   HG23  ILE  73          3HG2      ILE  73   4.917  -3.057  -1.977
  482   HD11  ILE  73          3HD1      ILE  73   3.270  -0.788   0.962
  483   HD12  ILE  73          1HD1      ILE  73   2.480  -0.266  -0.529
  484   HD13  ILE  73          2HD1      ILE  73   1.535  -1.025   0.754
  485    H    ASP  74           H        ASP  74   5.652  -4.581   1.979
  486    HA   ASP  74           HA       ASP  74   7.988  -5.285   0.543
  487    HB2  ASP  74           2HB      ASP  74   8.497  -4.209   2.524
  488    HB3  ASP  74           1HB      ASP  74   7.247  -5.053   3.430
  489    H    GLN  75           H        GLN  75   5.462  -7.140   2.005
  490    HA   GLN  75           HA       GLN  75   6.876  -9.470   2.646
  491    HB2  GLN  75           2HB      GLN  75   4.198  -8.546   2.757
  492    HB3  GLN  75           1HB      GLN  75   4.183 -10.126   1.988
  493    HG2  GLN  75           2HG      GLN  75   3.967 -10.687   4.200
  494    HG3  GLN  75           1HG      GLN  75   5.716 -10.800   3.985
  495   HE21  GLN  75          1HE2      GLN  75   6.938  -8.794   4.497
  496   HE22  GLN  75          2HE2      GLN  75   6.408  -7.844   5.833
  497    H    LEU  76           H        LEU  76   4.873  -8.769  -0.244
  498    HA   LEU  76           HA       LEU  76   6.221 -11.015  -1.566
  499    HB2  LEU  76           2HB      LEU  76   3.243 -10.736  -1.782
  500    HB3  LEU  76           1HB      LEU  76   4.245 -12.121  -2.168
  501    HG   LEU  76           HG       LEU  76   4.593 -11.630   0.589
  502   HD11  LEU  76          1HD1      LEU  76   2.686 -10.850   1.386
  503   HD12  LEU  76          2HD1      LEU  76   2.077 -10.660  -0.257
  504   HD13  LEU  76          3HD1      LEU  76   1.806 -12.169   0.612
  505   HD21  LEU  76          3HD2      LEU  76   2.939 -13.735  -0.805
  506   HD22  LEU  76          1HD2      LEU  76   4.686 -13.801  -0.569
  507   HD23  LEU  76          2HD2      LEU  76   3.608 -13.831   0.827
  508    H    GLY  77           H        GLY  77   6.248  -8.031  -1.908
  509    HA2  GLY  77           1HA      GLY  77   6.406  -6.604  -3.718
  510    HA3  GLY  77           2HA      GLY  77   6.225  -8.019  -4.748
  511    H    LEU  78           H        LEU  78   4.141  -6.369  -2.408
  512    HA   LEU  78           HA       LEU  78   1.791  -7.013  -3.891
  513    HB2  LEU  78           2HB      LEU  78   2.444  -5.712  -1.327
  514    HB3  LEU  78           1HB      LEU  78   0.962  -5.163  -2.079
  515    HG   LEU  78           HG       LEU  78   1.212  -7.313  -0.397
  516   HD11  LEU  78          1HD1      LEU  78  -0.807  -6.111  -0.788
  517   HD12  LEU  78          2HD1      LEU  78  -0.880  -6.677  -2.458
  518   HD13  LEU  78          3HD1      LEU  78  -1.097  -7.817  -1.129
  519   HD21  LEU  78          3HD2      LEU  78   2.134  -8.312  -2.776
  520   HD22  LEU  78          1HD2      LEU  78   1.427  -9.264  -1.471
  521   HD23  LEU  78          2HD2      LEU  78   0.422  -8.734  -2.819
  522    H    LEU  79           H        LEU  79   2.609  -5.900  -5.912
  523    HA   LEU  79           HA       LEU  79   2.315  -3.007  -5.915
  524    HB2  LEU  79           2HB      LEU  79   2.478  -3.788  -8.560
  525    HB3  LEU  79           1HB      LEU  79   3.807  -3.252  -7.553
  526    HG   LEU  79           HG       LEU  79   3.553  -5.974  -6.991
  527   HD11  LEU  79          1HD1      LEU  79   3.787  -5.876  -9.930
  528   HD12  LEU  79          2HD1      LEU  79   3.147  -7.140  -8.881
  529   HD13  LEU  79          3HD1      LEU  79   2.161  -5.726  -9.262
  530   HD21  LEU  79          3HD2      LEU  79   5.646  -6.019  -8.538
  531   HD22  LEU  79          1HD2      LEU  79   5.430  -4.268  -8.564
  532   HD23  LEU  79          2HD2      LEU  79   5.683  -5.104  -7.031
  533    H    ALA  80           H        ALA  80   0.043  -4.947  -5.388
  534    HA   ALA  80           HA       ALA  80  -1.778  -4.838  -7.543
  535    HB1  ALA  80           1HB      ALA  80  -1.777  -6.190  -5.248
  536    HB2  ALA  80           2HB      ALA  80  -2.836  -4.863  -4.772
  537    HB3  ALA  80           3HB      ALA  80  -3.256  -5.873  -6.153
  538    H    LEU  81           H        LEU  81  -0.880  -2.601  -5.073
  539    HA   LEU  81           HA       LEU  81  -2.736  -0.620  -6.199
  540    HB2  LEU  81           2HB      LEU  81  -2.295   0.097  -3.528
  541    HB3  LEU  81           1HB      LEU  81  -3.796  -0.447  -4.259
  542    HG   LEU  81           HG       LEU  81  -2.333  -2.777  -3.732
  543   HD11  LEU  81          1HD1      LEU  81  -1.883  -0.665  -1.706
  544   HD12  LEU  81          2HD1      LEU  81  -2.298  -2.276  -1.115
  545   HD13  LEU  81          3HD1      LEU  81  -0.885  -2.052  -2.146
  546   HD21  LEU  81          3HD2      LEU  81  -4.836  -2.028  -3.604
  547   HD22  LEU  81          1HD2      LEU  81  -4.238  -3.380  -2.639
  548   HD23  LEU  81          2HD2      LEU  81  -4.451  -1.792  -1.898
  549    H    VAL  82           H        VAL  82   0.244  -1.384  -6.306
  550    HA   VAL  82           HA       VAL  82   1.342   1.175  -5.358
  551    HB   VAL  82           HB       VAL  82   2.627  -1.554  -5.454
  552   HG11  VAL  82          1HG1      VAL  82   3.904   0.972  -5.797
  553   HG12  VAL  82          2HG1      VAL  82   4.362   0.314  -4.225
  554   HG13  VAL  82          3HG1      VAL  82   4.635  -0.631  -5.690
  555   HG21  VAL  82          3HG2      VAL  82   2.741  -1.429  -3.116
  556   HG22  VAL  82          1HG2      VAL  82   2.418   0.306  -3.109
  557   HG23  VAL  82          2HG2      VAL  82   1.133  -0.829  -3.519
  558    H    ASP  83           H        ASP  83   2.472   2.368  -6.713
  559    HA   ASP  83           HA       ASP  83   3.085   1.297  -9.391
  560    HB2  ASP  83           2HB      ASP  83   1.264   3.101  -9.241
  561    HB3  ASP  83           1HB      ASP  83   2.535   4.215  -8.761
  562    H    HIS  84           H        HIS  84   5.147   2.025 -10.273
  563    HA   HIS  84           HA       HIS  84   6.945   2.813  -8.087
  564    HB2  HIS  84           2HB      HIS  84   7.194   0.494  -9.246
  565    HB3  HIS  84           1HB      HIS  84   7.958   1.420 -10.537
  566    HD1  HIS  84           1HD      HIS  84  10.037   2.981  -9.697
  567    HD2  HIS  84           2HD      HIS  84   8.872  -0.146  -7.204
  568    HE1  HIS  84           1HE      HIS  84  11.900   2.708  -8.037
  569    HE2  HIS  84           2HE      HIS  84  11.243   0.737  -6.607
  570    H    THR  85           H        THR  85   7.569   4.800  -8.187
  571    HA   THR  85           HA       THR  85   8.153   6.014 -10.801
  572    HB   THR  85           HB       THR  85   8.217   8.155  -9.349
  573    HG1  THR  85           1HG      THR  85   7.379   8.036  -7.354
  574   HG21  THR  85          3HG2      THR  85   6.099   8.593 -10.022
  575   HG22  THR  85          1HG2      THR  85   5.448   7.130  -9.284
  576   HG23  THR  85          2HG2      THR  85   6.265   7.041 -10.847
  577    H    GLU  86           H        GLU  86   9.954   7.924 -10.160
  578    HA   GLU  86           HA       GLU  86  12.343   6.422  -9.805
  579    HB2  GLU  86           2HB      GLU  86  11.815   8.733 -11.062
  580    HB3  GLU  86           1HB      GLU  86  12.413   9.382  -9.541
  581    HG2  GLU  86           2HG      GLU  86  14.389   9.259 -10.606
  582    HG3  GLU  86           1HG      GLU  86  14.338   7.595 -10.026
  583    H    GLU  87           H        GLU  87  10.289   8.302  -7.737
  584    HA   GLU  87           HA       GLU  87  12.060   8.575  -5.541
  585    HB2  GLU  87           2HB      GLU  87   9.076   8.348  -5.259
  586    HB3  GLU  87           1HB      GLU  87  10.200   9.286  -4.286
  587    HG2  GLU  87           2HG      GLU  87   9.271  10.955  -5.504
  588    HG3  GLU  87           1HG      GLU  87  10.606  10.529  -6.577
  589    H    GLY  88           H        GLY  88  10.152   5.942  -6.722
  590    HA2  GLY  88           1HA      GLY  88  11.125   3.768  -5.872
  591    HA3  GLY  88           2HA      GLY  88  10.757   4.411  -4.279
  592    HA   PRO  89           HA       PRO  89   7.029   1.968  -5.487
  593    HB2  PRO  89           2HB      PRO  89   7.124   0.981  -2.755
  594    HB3  PRO  89           1HB      PRO  89   7.220   0.069  -4.263
  595    HG2  PRO  89           2HG      PRO  89   9.319   0.357  -2.552
  596    HG3  PRO  89           1HG      PRO  89   9.505   0.121  -4.300
  597    HD2  PRO  89           2HD      PRO  89   9.685   2.644  -2.698
  598    HD3  PRO  89           1HD      PRO  89  10.674   2.107  -4.074
  599    H    VAL  90           H        VAL  90   5.245   3.145  -5.381
  600    HA   VAL  90           HA       VAL  90   4.523   4.479  -2.868
  601    HB   VAL  90           HB       VAL  90   3.717   6.400  -4.474
  602   HG11  VAL  90          1HG1      VAL  90   5.216   7.000  -2.809
  603   HG12  VAL  90          2HG1      VAL  90   6.463   5.898  -3.398
  604   HG13  VAL  90          3HG1      VAL  90   6.113   7.383  -4.281
  605   HG21  VAL  90          3HG2      VAL  90   5.135   6.762  -6.393
  606   HG22  VAL  90          1HG2      VAL  90   6.073   5.313  -6.023
  607   HG23  VAL  90          2HG2      VAL  90   4.389   5.169  -6.531
  608    H    CYS  91           H        CYS  91   2.147   5.256  -2.965
  609    HA   CYS  91           HA       CYS  91   0.521   3.121  -3.892
  610    HB2  CYS  91           2HB      CYS  91  -0.508   5.866  -3.196
  611    HB3  CYS  91           1HB      CYS  91  -1.344   4.324  -3.050
  612    H    LYS  92           H        LYS  92  -0.781   2.921  -5.630
  613    HA   LYS  92           HA       LYS  92   0.049   4.320  -7.979
  614    HB2  LYS  92           2HB      LYS  92  -0.637   1.849  -7.721
  615    HB3  LYS  92           1HB      LYS  92  -2.291   2.439  -7.806
  616    HG2  LYS  92           2HG      LYS  92  -2.198   2.718 -10.012
  617    HG3  LYS  92           1HG      LYS  92  -0.597   3.456  -9.947
  618    HD2  LYS  92           2HD      LYS  92   0.493   1.432 -10.121
  619    HD3  LYS  92           1HD      LYS  92  -0.869   0.523  -9.465
  620    HE2  LYS  92           2HE      LYS  92  -1.073  -0.072 -11.648
  621    HE3  LYS  92           1HE      LYS  92  -2.031   1.411 -11.686
  622    HZ1  LYS  92           3HZ      LYS  92  -0.668   2.107 -13.269
  623    HZ2  LYS  92           1HZ      LYS  92   0.388   0.801 -13.045
  624    HZ3  LYS  92           2HZ      LYS  92   0.571   2.207 -12.112
  625    H    ASN  93           H        ASN  93  -2.994   4.128  -6.152
  626    HA   ASN  93           HA       ASN  93  -3.989   6.388  -7.750
  627    HB2  ASN  93           2HB      ASN  93  -5.058   3.681  -7.584
  628    HB3  ASN  93           1HB      ASN  93  -6.257   4.900  -7.180
  629   HD21  ASN  93          1HD2      ASN  93  -5.083   3.113  -9.601
  630   HD22  ASN  93          2HD2      ASN  93  -5.464   4.119 -10.951
  631    H    ILE  94           H        ILE  94  -5.618   4.469  -5.263
  632    HA   ILE  94           HA       ILE  94  -6.600   6.958  -4.155
  633    HB   ILE  94           HB       ILE  94  -7.338   4.111  -3.456
  634   HG12  ILE  94          2HG1      ILE  94  -9.235   5.807  -4.943
  635   HG13  ILE  94          1HG1      ILE  94  -7.790   5.359  -5.844
  636   HG21  ILE  94          1HG2      ILE  94  -7.943   6.526  -2.137
  637   HG22  ILE  94          2HG2      ILE  94  -9.410   6.015  -2.973
  638   HG23  ILE  94          3HG2      ILE  94  -8.616   4.923  -1.836
  639   HD11  ILE  94          3HD1      ILE  94  -8.863   3.073  -4.488
  640   HD12  ILE  94          1HD1      ILE  94 -10.106   3.855  -5.465
  641   HD13  ILE  94          2HD1      ILE  94  -8.595   3.337  -6.211
  642    H    VAL  95           H        VAL  95  -6.053   7.837  -2.271
  643    HA   VAL  95           HA       VAL  95  -4.062   6.498  -0.602
  644    HB   VAL  95           HB       VAL  95  -5.124   9.321  -0.350
  645   HG11  VAL  95          1HG1      VAL  95  -3.841   7.987   1.552
  646   HG12  VAL  95          2HG1      VAL  95  -2.439   8.510   0.618
  647   HG13  VAL  95          3HG1      VAL  95  -3.568   9.704   1.260
  648   HG21  VAL  95          3HG2      VAL  95  -3.153   8.152  -2.182
  649   HG22  VAL  95          1HG2      VAL  95  -4.058   9.661  -2.293
  650   HG23  VAL  95          2HG2      VAL  95  -2.595   9.582  -1.312
  651    H    ALA  96           H        ALA  96  -4.607   5.503   1.235
  652    HA   ALA  96           HA       ALA  96  -6.856   6.409   2.816
  653    HB1  ALA  96           1HB      ALA  96  -8.012   4.268   2.799
  654    HB2  ALA  96           2HB      ALA  96  -7.908   4.919   1.164
  655    HB3  ALA  96           3HB      ALA  96  -6.829   3.619   1.665
  656    H    CYS  97           H        CYS  97  -6.830   5.543   4.949
  657    HA   CYS  97           HA       CYS  97  -4.271   4.277   5.638
  658    HB2  CYS  97           2HB      CYS  97  -6.073   5.590   7.656
  659    HB3  CYS  97           1HB      CYS  97  -4.341   5.294   7.753
  660    H    CYS  98           H        CYS  98  -4.256   2.268   6.366
  661    HA   CYS  98           HA       CYS  98  -6.809   1.015   7.115
  662    HB2  CYS  98           2HB      CYS  98  -6.188   0.614   4.717
  663    HB3  CYS  98           1HB      CYS  98  -4.742  -0.208   5.284
  664    HA   PRO  99           HA       PRO  99  -4.244  -0.456  10.453
  665    HB2  PRO  99           2HB      PRO  99  -6.486  -2.191  11.140
  666    HB3  PRO  99           1HB      PRO  99  -5.814  -0.829  12.037
  667    HG2  PRO  99           2HG      PRO  99  -8.242  -0.750  10.842
  668    HG3  PRO  99           1HG      PRO  99  -7.225   0.687  11.047
  669    HD2  PRO  99           2HD      PRO  99  -7.660  -1.002   8.618
  670    HD3  PRO  99           1HD      PRO  99  -7.502   0.761   8.751
  671    H    GLU 100           H        GLU 100  -2.852  -2.138  10.641
  672    HA   GLU 100           HA       GLU 100  -3.302  -4.519   9.031
  673    HB2  GLU 100           2HB      GLU 100  -1.032  -3.429   9.282
  674    HB3  GLU 100           1HB      GLU 100  -1.022  -4.000  10.944
  675    HG2  GLU 100           2HG      GLU 100  -0.620  -6.140  10.353
  676    HG3  GLU 100           1HG      GLU 100  -1.587  -6.027   8.885
  677    H    GLY 101           H        GLY 101  -4.792  -5.838   9.854
  678    HA2  GLY 101           1HA      GLY 101  -4.372  -7.526  11.958
  679    HA3  GLY 101           2HA      GLY 101  -5.215  -6.147  12.665
  680    H    THR 102           H        THR 102  -7.266  -5.545  11.758
  681    HA   THR 102           HA       THR 102  -8.606  -7.350   9.944
  682    HB   THR 102           HB       THR 102 -10.240  -6.976  12.358
  683    HG1  THR 102           1HG      THR 102  -7.776  -8.314  12.459
  684   HG21  THR 102          3HG2      THR 102 -11.230  -8.376  10.834
  685   HG22  THR 102          1HG2      THR 102 -10.398  -9.565  11.838
  686   HG23  THR 102          2HG2      THR 102  -9.691  -9.057  10.303
  687    H    THR 103           H        THR 103 -11.108  -6.610  10.095
  688    HA   THR 103           HA       THR 103 -12.626  -5.059   9.574
  689    HB   THR 103           HB       THR 103 -12.772  -3.020  10.810
  690    HG1  THR 103           1HG      THR 103 -10.008  -3.261  10.961
  691   HG21  THR 103          3HG2      THR 103 -11.964  -3.978  13.167
  692   HG22  THR 103          1HG2      THR 103 -11.860  -5.459  12.217
  693   HG23  THR 103          2HG2      THR 103 -13.391  -4.589  12.331
  694    H    ASN 104           H        ASN 104 -12.742  -2.531   8.861
  695    HA   ASN 104           HA       ASN 104 -11.361  -2.788   6.310
  696    HB2  ASN 104           2HB      ASN 104 -13.152  -0.770   5.927
  697    HB3  ASN 104           1HB      ASN 104 -13.486  -2.472   5.636
  698   HD21  ASN 104          1HD2      ASN 104 -14.205   0.286   7.490
  699   HD22  ASN 104          2HD2      ASN 104 -15.396  -0.430   8.525
  700    H    CYS 105           H        CYS 105 -11.054  -0.579   5.169
  701    HA   CYS 105           HA       CYS 105  -9.397   1.044   6.983
  702    HB2  CYS 105           2HB      CYS 105  -8.915   1.169   4.071
  703    HB3  CYS 105           1HB      CYS 105  -7.767   1.074   5.403
  704    H    VAL 106           H        VAL 106  -9.497   3.272   6.886
  705    HA   VAL 106           HA       VAL 106 -11.868   4.368   5.618
  706    HB   VAL 106           HB       VAL 106 -11.772   6.121   7.087
  707   HG11  VAL 106          1HG1      VAL 106 -10.357   5.171   9.195
  708   HG12  VAL 106          2HG1      VAL 106 -11.987   4.651   8.767
  709   HG13  VAL 106          3HG1      VAL 106 -10.591   3.704   8.248
  710   HG21  VAL 106          3HG2      VAL 106  -9.645   6.942   8.161
  711   HG22  VAL 106          1HG2      VAL 106  -8.771   5.873   7.065
  712   HG23  VAL 106          2HG2      VAL 106  -9.756   7.185   6.418
  713    H    ALA 107           H        ALA 107 -11.888   5.930   4.031
  714    HA   ALA 107           HA       ALA 107  -9.354   6.212   2.579
  715    HB1  ALA 107           1HB      ALA 107 -11.911   5.462   1.719
  716    HB2  ALA 107           2HB      ALA 107 -11.622   7.068   1.054
  717    HB3  ALA 107           3HB      ALA 107 -10.485   5.762   0.728
  718    H    VAL 108           H        VAL 108  -8.388   8.113   2.538
  719    HA   VAL 108           HA       VAL 108  -9.902  10.486   3.371
  720    HB   VAL 108           HB       VAL 108  -7.002  10.809   3.019
  721   HG11  VAL 108          1HG1      VAL 108  -8.887  11.381   5.298
  722   HG12  VAL 108          2HG1      VAL 108  -7.214  11.932   5.180
  723   HG13  VAL 108          3HG1      VAL 108  -8.417  12.509   4.027
  724   HG21  VAL 108          3HG2      VAL 108  -6.181   9.352   4.557
  725   HG22  VAL 108          1HG2      VAL 108  -7.671   9.340   5.502
  726   HG23  VAL 108          2HG2      VAL 108  -7.558   8.387   4.022
  727    H    ASP 109           H        ASP 109  -9.724   9.089   0.698
  728    HA   ASP 109           HA       ASP 109  -8.485  10.954  -1.094
  729    HB2  ASP 109           2HB      ASP 109  -8.807   8.503  -1.569
  730    HB3  ASP 109           1HB      ASP 109 -10.531   8.816  -1.739
  731    H    ASN 110           H        ASN 110  -9.630  12.779  -0.005
  732    HA   ASN 110           HA       ASN 110 -12.123  13.382  -1.442
  733    HB2  ASN 110           2HB      ASN 110 -11.581  13.787   1.506
  734    HB3  ASN 110           1HB      ASN 110 -12.862  14.635   0.653
  735   HD21  ASN 110          1HD2      ASN 110 -12.103  11.977   2.453
  736   HD22  ASN 110          2HD2      ASN 110 -13.491  11.005   2.108
  737    H    ALA 111           H        ALA 111  -9.207  14.075  -1.700
  738    HA   ALA 111           HA       ALA 111  -9.351  16.970  -1.189
  739    HB1  ALA 111           1HB      ALA 111  -6.696  16.491  -1.508
  740    HB2  ALA 111           2HB      ALA 111  -7.530  16.551   0.044
  741    HB3  ALA 111           3HB      ALA 111  -7.232  14.998  -0.737
  742    H    GLY 112           H        GLY 112  -7.966  18.288  -2.687
  743    HA2  GLY 112           1HA      GLY 112  -8.070  17.161  -5.428
  744    HA3  GLY 112           2HA      GLY 112  -8.530  18.820  -5.064
  745    H    ALA 113           H        ALA 113  -5.814  16.928  -3.862
  746    HA   ALA 113           HA       ALA 113  -4.008  19.062  -4.754
  747    HB1  ALA 113           1HB      ALA 113  -3.011  17.011  -2.881
  748    HB2  ALA 113           2HB      ALA 113  -2.803  18.763  -2.865
  749    HB3  ALA 113           3HB      ALA 113  -4.300  18.048  -2.269
  750    H    GLY 114           H        GLY 114  -1.614  17.780  -4.697
  751    HA2  GLY 114           1HA      GLY 114  -1.720  16.108  -7.062
  752    HA3  GLY 114           2HA      GLY 114  -0.267  16.642  -6.218
  753    H    THR 115           H        THR 115  -0.615  14.017  -7.147
  754    HA   THR 115           HA       THR 115  -1.609  12.177  -5.311
  755    HB   THR 115           HB       THR 115   0.572  10.881  -6.382
  756    HG1  THR 115           1HG      THR 115  -0.345  12.567  -8.471
  757   HG21  THR 115          3HG2      THR 115  -1.291  10.579  -8.350
  758   HG22  THR 115          1HG2      THR 115  -2.285  11.167  -7.018
  759   HG23  THR 115          2HG2      THR 115  -1.310   9.711  -6.815
  760    H    LYS 116           H        LYS 116   1.770  13.185  -5.731
  761    HA   LYS 116           HA       LYS 116   2.209  13.546  -2.942
  762    HB2  LYS 116           2HB      LYS 116   4.028  11.781  -2.793
  763    HB3  LYS 116           1HB      LYS 116   2.376  11.181  -2.771
  764    HG2  LYS 116           2HG      LYS 116   2.696  10.862  -5.312
  765    HG3  LYS 116           1HG      LYS 116   4.418  10.999  -4.951
  766    HD2  LYS 116           2HD      LYS 116   4.446   8.859  -4.334
  767    HD3  LYS 116           1HD      LYS 116   3.289   9.223  -3.052
  768    HE2  LYS 116           2HE      LYS 116   2.302   7.517  -4.345
  769    HE3  LYS 116           1HE      LYS 116   1.476   9.006  -4.803
  770    HZ1  LYS 116           3HZ      LYS 116   2.937   7.211  -6.427
  771    HZ2  LYS 116           1HZ      LYS 116   3.637   8.753  -6.519
  772    HZ3  LYS 116           2HZ      LYS 116   2.001   8.539  -6.894
  773    H    ALA 117           H        ALA 117   2.530  14.851  -5.565
  774    HA   ALA 117           HA       ALA 117   5.447  15.011  -5.832
  775    HB1  ALA 117           1HB      ALA 117   4.411  16.389  -7.964
  776    HB2  ALA 117           2HB      ALA 117   4.914  14.696  -7.980
  777    HB3  ALA 117           3HB      ALA 117   3.221  15.109  -7.713
  778    H    GLU 118           H        GLU 118   5.496  16.381  -3.909
  779    HA   GLU 118           HA       GLU 118   5.472  19.153  -4.735
  780    HB2  GLU 118           2HB      GLU 118   3.314  18.259  -3.269
  781    HB3  GLU 118           1HB      GLU 118   4.392  18.879  -2.025
  782    HG2  GLU 118           2HG      GLU 118   4.356  21.041  -2.908
  783    HG3  GLU 118           1HG      GLU 118   3.716  20.492  -4.455
  Start of MODEL   14
    1    H1   SER   1           1H       SER   1  30.731  -2.220   2.992
    2    H2   SER   1           2H       SER   1  29.526  -2.268   1.801
    3    H3   SER   1           3H       SER   1  29.213  -2.876   3.350
    4    HA   SER   1           HA       SER   1  30.072  -0.145   3.343
    5    HB2  SER   1           2HB      SER   1  27.347   0.041   2.649
    6    HB3  SER   1           1HB      SER   1  28.726   0.580   1.692
    7    HG   SER   1           HG       SER   1  27.188  -1.011   0.713
    8    H    LEU   2           H        LEU   2  28.705   1.049   4.875
    9    HA   LEU   2           HA       LEU   2  27.080  -0.678   6.623
   10    HB2  LEU   2           2HB      LEU   2  28.747   1.585   7.697
   11    HB3  LEU   2           1HB      LEU   2  27.974   0.289   8.585
   12    HG   LEU   2           HG       LEU   2  30.077  -0.526   6.676
   13   HD11  LEU   2          1HD1      LEU   2  31.662   0.829   7.433
   14   HD12  LEU   2          2HD1      LEU   2  30.556   1.551   8.602
   15   HD13  LEU   2          3HD1      LEU   2  31.464   0.100   9.027
   16   HD21  LEU   2          3HD2      LEU   2  30.520  -1.613   9.185
   17   HD22  LEU   2          1HD2      LEU   2  28.767  -1.483   9.075
   18   HD23  LEU   2          2HD2      LEU   2  29.664  -2.374   7.848
   19    HA   PRO   3           HA       PRO   3  24.076   2.576   6.051
   20    HB2  PRO   3           2HB      PRO   3  22.568   2.167   8.290
   21    HB3  PRO   3           1HB      PRO   3  22.463   1.155   6.845
   22    HG2  PRO   3           2HG      PRO   3  23.929   0.658   9.403
   23    HG3  PRO   3           1HG      PRO   3  22.979  -0.467   8.415
   24    HD2  PRO   3           2HD      PRO   3  25.683  -0.408   8.346
   25    HD3  PRO   3           1HD      PRO   3  24.702  -0.819   6.928
   26    H    ALA   4           H        ALA   4  25.640   4.247   6.344
   27    HA   ALA   4           HA       ALA   4  26.603   5.279   8.715
   28    HB1  ALA   4           1HB      ALA   4  27.412   6.049   6.584
   29    HB2  ALA   4           2HB      ALA   4  25.843   6.744   6.190
   30    HB3  ALA   4           3HB      ALA   4  26.806   7.431   7.495
   31    H    SER   5           H        SER   5  23.632   6.162   7.012
   32    HA   SER   5           HA       SER   5  22.361   6.771   9.551
   33    HB2  SER   5           2HB      SER   5  21.611   8.844   7.697
   34    HB3  SER   5           1HB      SER   5  22.287   9.003   9.316
   35    HG   SER   5           HG       SER   5  24.107   9.542   8.439
   36    H    ALA   6           H        ALA   6  22.082   6.638   6.023
   37    HA   ALA   6           HA       ALA   6  19.800   4.899   6.224
   38    HB1  ALA   6           1HB      ALA   6  18.825   7.206   6.398
   39    HB2  ALA   6           2HB      ALA   6  19.432   7.511   4.767
   40    HB3  ALA   6           3HB      ALA   6  18.233   6.246   5.042
   41    H    ALA   7           H        ALA   7  19.029   4.318   3.965
   42    HA   ALA   7           HA       ALA   7  20.729   4.840   1.731
   43    HB1  ALA   7           1HB      ALA   7  21.323   2.535   3.404
   44    HB2  ALA   7           2HB      ALA   7  20.978   2.078   1.733
   45    HB3  ALA   7           3HB      ALA   7  22.258   3.243   2.086
   46    H    LYS   8           H        LYS   8  18.838   2.034   2.805
   47    HA   LYS   8           HA       LYS   8  16.501   2.803   1.357
   48    HB2  LYS   8           2HB      LYS   8  16.503   0.728  -0.103
   49    HB3  LYS   8           1HB      LYS   8  17.615   1.996  -0.597
   50    HG2  LYS   8           2HG      LYS   8  19.480   0.783   0.041
   51    HG3  LYS   8           1HG      LYS   8  18.560  -0.252   1.133
   52    HD2  LYS   8           2HD      LYS   8  17.632  -0.443  -1.611
   53    HD3  LYS   8           1HD      LYS   8  19.335  -0.869  -1.450
   54    HE2  LYS   8           2HE      LYS   8  18.408  -2.231   0.624
   55    HE3  LYS   8           1HE      LYS   8  16.923  -2.190  -0.324
   56    HZ1  LYS   8           3HZ      LYS   8  19.530  -3.123  -1.395
   57    HZ2  LYS   8           1HZ      LYS   8  18.005  -3.267  -2.126
   58    HZ3  LYS   8           2HZ      LYS   8  18.368  -4.159  -0.727
   59    H    ASN   9           H        ASN   9  16.822   2.398   3.942
   60    HA   ASN   9           HA       ASN   9  16.556  -0.411   4.618
   61    HB2  ASN   9           2HB      ASN   9  17.513   1.986   5.949
   62    HB3  ASN   9           1HB      ASN   9  16.433   1.048   6.977
   63   HD21  ASN   9          1HD2      ASN   9  17.468  -0.258   8.231
   64   HD22  ASN   9          2HD2      ASN   9  18.918  -1.122   7.863
   65    H    ALA  10           H        ALA  10  14.620  -1.261   4.602
   66    HA   ALA  10           HA       ALA  10  12.497  -1.742   5.187
   67    HB1  ALA  10           1HB      ALA  10  13.216  -1.297   7.453
   68    HB2  ALA  10           2HB      ALA  10  12.908   0.429   7.239
   69    HB3  ALA  10           3HB      ALA  10  11.565  -0.717   7.221
   70    H    LYS  11           H        LYS  11  10.319  -0.324   5.934
   71    HA   LYS  11           HA       LYS  11   8.542   0.727   5.023
   72    HB2  LYS  11           2HB      LYS  11  10.462   2.878   4.160
   73    HB3  LYS  11           1HB      LYS  11   8.785   3.041   4.648
   74    HG2  LYS  11           2HG      LYS  11   9.478   2.321   6.946
   75    HG3  LYS  11           1HG      LYS  11  11.150   2.445   6.399
   76    HD2  LYS  11           2HD      LYS  11  11.134   4.694   6.478
   77    HD3  LYS  11           1HD      LYS  11   9.497   4.798   5.821
   78    HE2  LYS  11           2HE      LYS  11   8.653   5.123   7.860
   79    HE3  LYS  11           1HE      LYS  11   9.412   3.644   8.442
   80    HZ1  LYS  11           3HZ      LYS  11  11.442   5.517   8.276
   81    HZ2  LYS  11           1HZ      LYS  11  10.709   4.921   9.686
   82    HZ3  LYS  11           2HZ      LYS  11  10.126   6.343   8.964
   83    H    LEU  12           H        LEU  12   8.916   2.664   2.705
   84    HA   LEU  12           HA       LEU  12   8.832   0.627   0.609
   85    HB2  LEU  12           2HB      LEU  12   8.092   3.554   0.494
   86    HB3  LEU  12           1HB      LEU  12   7.831   2.382  -0.780
   87    HG   LEU  12           HG       LEU  12   6.385   1.150   1.032
   88   HD11  LEU  12          1HD1      LEU  12   5.343   2.563   2.637
   89   HD12  LEU  12          2HD1      LEU  12   7.085   2.745   2.837
   90   HD13  LEU  12          3HD1      LEU  12   6.158   3.993   2.002
   91   HD21  LEU  12          3HD2      LEU  12   5.344   3.691  -0.198
   92   HD22  LEU  12          1HD2      LEU  12   5.614   2.199  -1.105
   93   HD23  LEU  12          2HD2      LEU  12   4.434   2.236   0.209
   94    H    ALA  13           H        ALA  13  11.293   0.833   1.460
   95    HA   ALA  13           HA       ALA  13  13.451   1.335   1.028
   96    HB1  ALA  13           1HB      ALA  13  12.277   0.695  -1.380
   97    HB2  ALA  13           2HB      ALA  13  13.124   2.200  -1.730
   98    HB3  ALA  13           3HB      ALA  13  14.005   0.826  -1.068
   99    H    THR  14           H        THR  14  12.887   3.177   2.456
  100    HA   THR  14           HA       THR  14  13.462   5.281   3.098
  101    HB   THR  14           HB       THR  14  14.099   5.870   0.199
  102    HG1  THR  14           1HG      THR  14  15.594   4.778   2.340
  103   HG21  THR  14          3HG2      THR  14  13.776   7.921   1.430
  104   HG22  THR  14          1HG2      THR  14  15.508   7.677   1.199
  105   HG23  THR  14          2HG2      THR  14  14.767   7.324   2.760
  106    H    SER  15           H        SER  15  11.498   5.004   0.155
  107    HA   SER  15           HA       SER  15   9.481   5.913  -0.435
  108    HB2  SER  15           2HB      SER  15   8.752   6.598   2.353
  109    HB3  SER  15           1HB      SER  15   7.884   5.630   1.161
  110    HG   SER  15           HG       SER  15  10.178   4.417   1.902
  111    H    ALA  16           H        ALA  16  11.333   7.703  -0.906
  112    HA   ALA  16           HA       ALA  16  11.343  10.117   0.491
  113    HB1  ALA  16           1HB      ALA  16  12.758   9.159  -1.567
  114    HB2  ALA  16           2HB      ALA  16  11.683  10.250  -2.446
  115    HB3  ALA  16           3HB      ALA  16  12.710  10.870  -1.152
  116    H    ALA  17           H        ALA  17   9.605   9.381  -2.527
  117    HA   ALA  17           HA       ALA  17   8.050  11.767  -2.401
  118    HB1  ALA  17           1HB      ALA  17   7.461   9.333  -4.067
  119    HB2  ALA  17           2HB      ALA  17   6.995  11.007  -4.377
  120    HB3  ALA  17           3HB      ALA  17   8.688  10.528  -4.489
  121    H    PHE  18           H        PHE  18   7.775   8.708  -0.924
  122    HA   PHE  18           HA       PHE  18   4.899   8.699  -0.704
  123    HB2  PHE  18           2HB      PHE  18   6.201   6.593  -0.750
  124    HB3  PHE  18           1HB      PHE  18   6.950   7.038   0.778
  125    HD1  PHE  18           2HD      PHE  18   3.689   6.269  -0.810
  126    HD2  PHE  18           1HD      PHE  18   5.930   6.521   2.796
  127    HE1  PHE  18           2HE      PHE  18   1.849   5.175   0.409
  128    HE2  PHE  18           1HE      PHE  18   4.102   5.431   4.020
  129    HZ   PHE  18           HZ       PHE  18   2.054   4.756   2.825
  130    H    ALA  19           H        ALA  19   7.639   9.604   1.314
  131    HA   ALA  19           HA       ALA  19   6.169  10.158   3.658
  132    HB1  ALA  19           1HB      ALA  19   8.199  10.514   4.459
  133    HB2  ALA  19           2HB      ALA  19   8.853  10.346   2.828
  134    HB3  ALA  19           3HB      ALA  19   8.383  11.934   3.432
  135    H    LYS  20           H        LYS  20   6.774  11.980   0.740
  136    HA   LYS  20           HA       LYS  20   5.821  14.489   1.676
  137    HB2  LYS  20           2HB      LYS  20   5.903  13.385  -1.139
  138    HB3  LYS  20           1HB      LYS  20   5.686  15.079  -0.711
  139    HG2  LYS  20           2HG      LYS  20   7.898  15.239   0.129
  140    HG3  LYS  20           1HG      LYS  20   8.116  13.492   0.077
  141    HD2  LYS  20           2HD      LYS  20   8.296  13.459  -2.252
  142    HD3  LYS  20           1HD      LYS  20   7.561  15.057  -2.422
  143    HE2  LYS  20           2HE      LYS  20   9.504  16.154  -1.856
  144    HE3  LYS  20           1HE      LYS  20  10.113  14.806  -0.900
  145    HZ1  LYS  20           3HZ      LYS  20  11.437  14.890  -2.813
  146    HZ2  LYS  20           1HZ      LYS  20  10.115  15.100  -3.848
  147    HZ3  LYS  20           2HZ      LYS  20  10.376  13.602  -3.094
  148    H    GLN  21           H        GLN  21   4.361  11.566   0.735
  149    HA   GLN  21           HA       GLN  21   1.722  12.652   0.235
  150    HB2  GLN  21           2HB      GLN  21   3.083  10.323  -0.454
  151    HB3  GLN  21           1HB      GLN  21   1.926   9.785   0.751
  152    HG2  GLN  21           2HG      GLN  21   0.154  10.949  -0.624
  153    HG3  GLN  21           1HG      GLN  21   1.385  11.120  -1.876
  154   HE21  GLN  21          1HE2      GLN  21   0.415   8.508   0.329
  155   HE22  GLN  21          2HE2      GLN  21   0.225   7.312  -0.893
  156    H    ALA  22           H        ALA  22   3.420  10.809   2.723
  157    HA   ALA  22           HA       ALA  22   1.142  10.139   4.253
  158    HB1  ALA  22           1HB      ALA  22   2.791   8.672   4.721
  159    HB2  ALA  22           2HB      ALA  22   4.067   9.871   4.518
  160    HB3  ALA  22           3HB      ALA  22   3.136   9.821   6.015
  161    H    GLU  23           H        GLU  23   2.996  13.033   4.123
  162    HA   GLU  23           HA       GLU  23   2.617  13.818   6.836
  163    HB2  GLU  23           2HB      GLU  23   3.952  14.843   4.527
  164    HB3  GLU  23           1HB      GLU  23   2.975  16.122   5.240
  165    HG2  GLU  23           2HG      GLU  23   4.156  15.005   7.436
  166    HG3  GLU  23           1HG      GLU  23   5.417  14.854   6.212
  167    H    GLY  24           H        GLY  24   0.609  13.901   4.058
  168    HA2  GLY  24           1HA      GLY  24  -1.109  15.956   5.263
  169    HA3  GLY  24           2HA      GLY  24  -1.193  15.398   3.600
  170    H    THR  25           H        THR  25  -0.836  12.747   5.612
  171    HA   THR  25           HA       THR  25  -3.752  12.317   5.572
  172    HB   THR  25           HB       THR  25  -2.465   9.808   5.451
  173    HG1  THR  25           1HG      THR  25  -1.304  11.788   3.816
  174   HG21  THR  25          3HG2      THR  25  -3.750   9.524   3.475
  175   HG22  THR  25          1HG2      THR  25  -3.817  11.265   3.191
  176   HG23  THR  25          2HG2      THR  25  -4.699  10.555   4.548
  177    H    THR  26           H        THR  26  -4.668  11.629   7.414
  178    HA   THR  26           HA       THR  26  -3.084  11.201   9.763
  179    HB   THR  26           HB       THR  26  -5.870  10.332   9.943
  180    HG1  THR  26           1HG      THR  26  -6.363  12.808   9.720
  181   HG21  THR  26          3HG2      THR  26  -4.701  10.869  11.939
  182   HG22  THR  26          1HG2      THR  26  -5.851  12.185  11.684
  183   HG23  THR  26          2HG2      THR  26  -4.147  12.410  11.285
  184    H    CYS  27           H        CYS  27  -1.851   9.397   9.568
  185    HA   CYS  27           HA       CYS  27  -3.210   6.841   9.718
  186    HB2  CYS  27           2HB      CYS  27  -2.348   7.616   7.237
  187    HB3  CYS  27           1HB      CYS  27  -0.934   6.762   7.842
  188    H    ASN  28           H        ASN  28  -1.367   5.074   9.987
  189    HA   ASN  28           HA       ASN  28   0.565   6.218  11.897
  190    HB2  ASN  28           2HB      ASN  28  -1.358   5.216  13.070
  191    HB3  ASN  28           1HB      ASN  28  -1.075   3.694  12.234
  192   HD21  ASN  28          1HD2      ASN  28  -0.675   2.467  13.993
  193   HD22  ASN  28          2HD2      ASN  28   0.695   2.677  15.032
  194    H    VAL  29           H        VAL  29   2.448   4.838  12.317
  195    HA   VAL  29           HA       VAL  29   3.554   3.781   9.938
  196    HB   VAL  29           HB       VAL  29   5.033   4.741  11.572
  197   HG11  VAL  29          1HG1      VAL  29   3.487   3.807  13.503
  198   HG12  VAL  29          2HG1      VAL  29   4.712   2.539  13.530
  199   HG13  VAL  29          3HG1      VAL  29   5.179   4.219  13.778
  200   HG21  VAL  29          3HG2      VAL  29   6.697   3.358  11.037
  201   HG22  VAL  29          1HG2      VAL  29   6.017   2.046  12.000
  202   HG23  VAL  29          2HG2      VAL  29   5.467   2.302  10.342
  203    H    GLY  30           H        GLY  30   3.264   1.864   9.047
  204    HA2  GLY  30           1HA      GLY  30   3.107  -0.516   9.081
  205    HA3  GLY  30           2HA      GLY  30   2.505  -0.418  10.731
  206    H    SER  31           H        SER  31   0.592   1.583  10.351
  207    HA   SER  31           HA       SER  31  -1.493   0.055   9.023
  208    HB2  SER  31           2HB      SER  31  -2.175   2.630  10.294
  209    HB3  SER  31           1HB      SER  31  -2.921   1.045  10.486
  210    HG   SER  31           HG       SER  31  -1.440   0.496  11.987
  211    H    ILE  32           H        ILE  32   0.676   2.337   8.075
  212    HA   ILE  32           HA       ILE  32  -1.091   3.931   6.454
  213    HB   ILE  32           HB       ILE  32   1.150   4.712   7.425
  214   HG12  ILE  32          2HG1      ILE  32   1.210   5.353   4.545
  215   HG13  ILE  32          1HG1      ILE  32  -0.347   5.579   5.339
  216   HG21  ILE  32          1HG2      ILE  32   2.287   2.614   6.340
  217   HG22  ILE  32          2HG2      ILE  32   2.422   3.686   4.944
  218   HG23  ILE  32          3HG2      ILE  32   3.151   4.147   6.483
  219   HD11  ILE  32          3HD1      ILE  32   2.182   6.726   6.468
  220   HD12  ILE  32          1HD1      ILE  32   1.228   7.576   5.253
  221   HD13  ILE  32          2HD1      ILE  32   0.512   7.177   6.813
  222    H    ALA  33           H        ALA  33  -1.491   3.700   4.278
  223    HA   ALA  33           HA       ALA  33  -0.494   1.255   3.034
  224    HB1  ALA  33           1HB      ALA  33  -3.030   1.526   4.355
  225    HB2  ALA  33           2HB      ALA  33  -3.240   1.125   2.648
  226    HB3  ALA  33           3HB      ALA  33  -2.253   0.091   3.681
  227    H    CYS  34           H        CYS  34  -1.537   0.887   0.898
  228    HA   CYS  34           HA       CYS  34  -2.158   3.416  -0.473
  229    HB2  CYS  34           2HB      CYS  34   0.093   2.428  -1.053
  230    HB3  CYS  34           1HB      CYS  34  -0.753   1.021  -1.688
  231    H    CYS  35           H        CYS  35  -3.997   3.416  -1.640
  232    HA   CYS  35           HA       CYS  35  -5.397   0.849  -1.967
  233    HB2  CYS  35           2HB      CYS  35  -6.327   2.805  -0.397
  234    HB3  CYS  35           1HB      CYS  35  -6.948   3.393  -1.934
  235    H    ASN  36           H        ASN  36  -6.828   0.756  -3.860
  236    HA   ASN  36           HA       ASN  36  -6.156   2.575  -6.022
  237    HB2  ASN  36           2HB      ASN  36  -4.486   0.508  -5.761
  238    HB3  ASN  36           1HB      ASN  36  -5.768  -0.308  -6.649
  239   HD21  ASN  36          1HD2      ASN  36  -3.507  -0.266  -7.895
  240   HD22  ASN  36          2HD2      ASN  36  -3.491   0.889  -9.187
  241    H    SER  37           H        SER  37  -7.444   2.259  -7.900
  242    HA   SER  37           HA       SER  37 -10.122   1.693  -7.538
  243    HB2  SER  37           2HB      SER  37  -9.206   1.135 -10.255
  244    HB3  SER  37           1HB      SER  37 -10.258   2.422  -9.664
  245    HG   SER  37           HG       SER  37  -7.490   2.400 -10.053
  246    HA   PRO  38           HA       PRO  38 -10.547  -2.580  -6.858
  247    HB2  PRO  38           2HB      PRO  38 -12.815  -2.392  -8.790
  248    HB3  PRO  38           1HB      PRO  38 -12.776  -3.089  -7.165
  249    HG2  PRO  38           2HG      PRO  38 -13.868  -0.700  -7.600
  250    HG3  PRO  38           1HG      PRO  38 -12.923  -1.022  -6.134
  251    HD2  PRO  38           2HD      PRO  38 -12.198   0.552  -8.553
  252    HD3  PRO  38           1HD      PRO  38 -11.701   0.778  -6.865
  253    H    ALA  39           H        ALA  39 -11.025  -1.679 -10.285
  254    HA   ALA  39           HA       ALA  39 -10.755  -4.273 -11.309
  255    HB1  ALA  39           1HB      ALA  39 -10.367  -1.591 -12.571
  256    HB2  ALA  39           2HB      ALA  39 -10.273  -3.107 -13.470
  257    HB3  ALA  39           3HB      ALA  39 -11.771  -2.658 -12.659
  258    H    GLU  40           H        GLU  40  -8.343  -2.422  -9.908
  259    HA   GLU  40           HA       GLU  40  -6.283  -3.788 -11.503
  260    HB2  GLU  40           2HB      GLU  40  -5.868  -1.513 -11.818
  261    HB3  GLU  40           1HB      GLU  40  -6.325  -1.098 -10.174
  262    HG2  GLU  40           2HG      GLU  40  -4.297  -1.571  -9.339
  263    HG3  GLU  40           1HG      GLU  40  -3.950  -2.825 -10.527
  264    H    THR  41           H        THR  41  -7.211  -2.738  -8.261
  265    HA   THR  41           HA       THR  41  -5.411  -4.219  -6.731
  266    HB   THR  41           HB       THR  41  -8.315  -3.924  -6.019
  267    HG1  THR  41           1HG      THR  41  -7.586  -1.738  -5.280
  268   HG21  THR  41          3HG2      THR  41  -7.603  -3.881  -3.814
  269   HG22  THR  41          1HG2      THR  41  -5.979  -3.330  -4.234
  270   HG23  THR  41          2HG2      THR  41  -6.451  -5.001  -4.543
  271    H    ASN  42           H        ASN  42  -8.469  -5.049  -8.193
  272    HA   ASN  42           HA       ASN  42  -8.530  -7.729  -7.090
  273    HB2  ASN  42           2HB      ASN  42 -10.759  -7.542  -7.433
  274    HB3  ASN  42           1HB      ASN  42 -10.424  -5.850  -7.665
  275   HD21  ASN  42          1HD2      ASN  42  -9.521  -5.583 -10.085
  276   HD22  ASN  42          2HD2      ASN  42 -10.639  -6.172 -11.256
  277    H    ASN  43           H        ASN  43  -6.684  -6.586  -9.317
  278    HA   ASN  43           HA       ASN  43  -7.282  -7.626 -11.805
  279    HB2  ASN  43           2HB      ASN  43  -5.198  -6.219 -10.833
  280    HB3  ASN  43           1HB      ASN  43  -4.431  -7.793 -11.007
  281   HD21  ASN  43          1HD2      ASN  43  -4.640  -5.014 -12.471
  282   HD22  ASN  43          2HD2      ASN  43  -4.637  -5.483 -14.134
  283    H    ASP  44           H        ASP  44  -5.884  -9.301  -9.041
  284    HA   ASP  44           HA       ASP  44  -5.993 -11.775 -10.626
  285    HB2  ASP  44           2HB      ASP  44  -3.704 -11.323  -9.929
  286    HB3  ASP  44           1HB      ASP  44  -4.225 -11.163  -8.247
  287    H    SER  45           H        SER  45  -6.880 -13.598  -9.717
  288    HA   SER  45           HA       SER  45  -9.070 -13.238  -7.990
  289    HB2  SER  45           2HB      SER  45  -8.183 -15.985  -8.057
  290    HB3  SER  45           1HB      SER  45  -9.613 -15.260  -8.790
  291    HG   SER  45           HG       SER  45  -7.032 -15.613  -9.886
  292    H    LEU  46           H        LEU  46  -5.783 -14.449  -7.429
  293    HA   LEU  46           HA       LEU  46  -6.392 -15.080  -4.665
  294    HB2  LEU  46           2HB      LEU  46  -4.313 -15.744  -6.550
  295    HB3  LEU  46           1HB      LEU  46  -3.605 -15.159  -5.054
  296    HG   LEU  46           HG       LEU  46  -5.233 -16.845  -3.921
  297   HD11  LEU  46          1HD1      LEU  46  -5.463 -17.534  -6.773
  298   HD12  LEU  46          2HD1      LEU  46  -5.182 -18.891  -5.682
  299   HD13  LEU  46          3HD1      LEU  46  -6.569 -17.832  -5.434
  300   HD21  LEU  46          3HD2      LEU  46  -3.516 -18.483  -3.887
  301   HD22  LEU  46          1HD2      LEU  46  -2.892 -17.961  -5.451
  302   HD23  LEU  46          2HD2      LEU  46  -2.718 -16.919  -4.041
  303    H    LEU  47           H        LEU  47  -4.841 -12.562  -6.515
  304    HA   LEU  47           HA       LEU  47  -3.651 -11.051  -4.521
  305    HB2  LEU  47           2HB      LEU  47  -4.441 -10.649  -7.209
  306    HB3  LEU  47           1HB      LEU  47  -5.068  -9.291  -6.295
  307    HG   LEU  47           HG       LEU  47  -2.904  -8.735  -7.210
  308   HD11  LEU  47          1HD1      LEU  47  -3.507  -8.704  -4.420
  309   HD12  LEU  47          2HD1      LEU  47  -1.768  -8.893  -4.646
  310   HD13  LEU  47          3HD1      LEU  47  -2.610  -7.530  -5.383
  311   HD21  LEU  47          3HD2      LEU  47  -0.908  -9.958  -6.722
  312   HD22  LEU  47          1HD2      LEU  47  -1.780 -11.047  -5.640
  313   HD23  LEU  47          2HD2      LEU  47  -2.099 -11.083  -7.377
  314    H    SER  48           H        SER  48  -7.023 -11.436  -5.316
  315    HA   SER  48           HA       SER  48  -8.054  -9.307  -3.784
  316    HB2  SER  48           2HB      SER  48  -9.091 -11.058  -5.579
  317    HB3  SER  48           1HB      SER  48  -9.737 -11.716  -4.073
  318    HG   SER  48           HG       SER  48  -9.915  -8.964  -4.681
  319    H    GLY  49           H        GLY  49  -6.593 -12.203  -2.811
  320    HA2  GLY  49           1HA      GLY  49  -7.671 -11.810  -0.083
  321    HA3  GLY  49           2HA      GLY  49  -7.059 -13.346  -0.683
  322    H    LEU  50           H        LEU  50  -5.049 -11.289  -2.053
  323    HA   LEU  50           HA       LEU  50  -2.962 -11.859  -0.136
  324    HB2  LEU  50           2HB      LEU  50  -3.139 -11.564  -2.926
  325    HB3  LEU  50           1HB      LEU  50  -2.133 -10.238  -2.380
  326    HG   LEU  50           HG       LEU  50  -0.684 -11.906  -1.208
  327   HD11  LEU  50          1HD1      LEU  50  -1.279 -14.237  -2.610
  328   HD12  LEU  50          2HD1      LEU  50  -1.492 -13.947  -0.885
  329   HD13  LEU  50          3HD1      LEU  50  -2.827 -13.657  -1.998
  330   HD21  LEU  50          3HD2      LEU  50   0.582 -11.820  -3.028
  331   HD22  LEU  50          1HD2      LEU  50  -0.466 -12.966  -3.865
  332   HD23  LEU  50          2HD2      LEU  50  -0.820 -11.237  -3.922
  333    H    LEU  51           H        LEU  51  -4.969  -9.230  -0.989
  334    HA   LEU  51           HA       LEU  51  -3.302  -7.061  -0.283
  335    HB2  LEU  51           2HB      LEU  51  -5.820  -6.131   0.202
  336    HB3  LEU  51           1HB      LEU  51  -5.035  -6.141  -1.366
  337    HG   LEU  51           HG       LEU  51  -6.150  -8.639  -1.286
  338   HD11  LEU  51          1HD1      LEU  51  -8.469  -7.064  -0.444
  339   HD12  LEU  51          2HD1      LEU  51  -8.049  -8.745  -0.109
  340   HD13  LEU  51          3HD1      LEU  51  -7.326  -7.452   0.845
  341   HD21  LEU  51          3HD2      LEU  51  -7.179  -6.035  -2.383
  342   HD22  LEU  51          1HD2      LEU  51  -6.257  -7.286  -3.220
  343   HD23  LEU  51          2HD2      LEU  51  -7.929  -7.589  -2.747
  344    H    GLY  52           H        GLY  52  -5.043  -9.342   1.598
  345    HA2  GLY  52           1HA      GLY  52  -4.356  -7.838   4.030
  346    HA3  GLY  52           2HA      GLY  52  -5.936  -8.597   3.855
  347    H    ALA  53           H        ALA  53  -2.576  -9.084   4.442
  348    HA   ALA  53           HA       ALA  53  -2.349 -11.831   4.023
  349    HB1  ALA  53           1HB      ALA  53  -0.268 -11.062   4.309
  350    HB2  ALA  53           2HB      ALA  53  -0.789  -9.745   5.364
  351    HB3  ALA  53           3HB      ALA  53  -0.555 -11.366   6.022
  352    H    GLY  54           H        GLY  54  -3.623 -10.050   6.739
  353    HA2  GLY  54           1HA      GLY  54  -3.776 -12.484   8.360
  354    HA3  GLY  54           2HA      GLY  54  -4.113 -10.849   8.904
  355    H    LEU  55           H        LEU  55  -5.434 -12.184   5.962
  356    HA   LEU  55           HA       LEU  55  -7.562 -12.470   5.243
  357    HB2  LEU  55           2HB      LEU  55  -8.315 -13.095   8.101
  358    HB3  LEU  55           1HB      LEU  55  -9.130 -13.616   6.639
  359    HG   LEU  55           HG       LEU  55  -6.395 -14.526   7.536
  360   HD11  LEU  55          1HD1      LEU  55  -8.021 -16.722   7.406
  361   HD12  LEU  55          2HD1      LEU  55  -7.573 -15.862   8.879
  362   HD13  LEU  55          3HD1      LEU  55  -9.092 -15.488   8.067
  363   HD21  LEU  55          3HD2      LEU  55  -6.780 -16.249   5.705
  364   HD22  LEU  55          1HD2      LEU  55  -8.059 -15.185   5.116
  365   HD23  LEU  55          2HD2      LEU  55  -6.392 -14.612   5.178
  366    H    LEU  56           H        LEU  56  -6.998  -9.982   5.358
  367    HA   LEU  56           HA       LEU  56  -8.628  -8.471   7.182
  368    HB2  LEU  56           2HB      LEU  56  -6.318  -7.892   6.033
  369    HB3  LEU  56           1HB      LEU  56  -7.369  -7.209   4.805
  370    HG   LEU  56           HG       LEU  56  -8.458  -6.156   7.059
  371   HD11  LEU  56          1HD1      LEU  56  -5.503  -6.467   7.509
  372   HD12  LEU  56          2HD1      LEU  56  -6.498  -5.269   8.339
  373   HD13  LEU  56          3HD1      LEU  56  -6.822  -6.988   8.559
  374   HD21  LEU  56          3HD2      LEU  56  -8.157  -4.501   5.583
  375   HD22  LEU  56          1HD2      LEU  56  -6.589  -4.271   6.356
  376   HD23  LEU  56          2HD2      LEU  56  -6.718  -5.256   4.901
  377    H    ASN  57           H        ASN  57  -9.332  -6.346   5.477
  378    HA   ASN  57           HA       ASN  57 -11.515  -7.484   3.900
  379    HB2  ASN  57           2HB      ASN  57 -12.003  -6.681   6.385
  380    HB3  ASN  57           1HB      ASN  57 -12.027  -5.097   5.619
  381   HD21  ASN  57          1HD2      ASN  57 -14.154  -6.625   6.887
  382   HD22  ASN  57          2HD2      ASN  57 -15.391  -6.802   5.699
  383    H    GLY  58           H        GLY  58 -12.709  -5.287   3.038
  384    HA2  GLY  58           1HA      GLY  58 -10.591  -4.108   1.378
  385    HA3  GLY  58           2HA      GLY  58 -12.303  -4.158   0.977
  386    H    LEU  59           H        LEU  59 -12.523  -1.957   0.598
  387    HA   LEU  59           HA       LEU  59 -11.724   0.029   2.449
  388    HB2  LEU  59           2HB      LEU  59 -12.767   0.043  -0.090
  389    HB3  LEU  59           1HB      LEU  59 -14.127   0.611   0.859
  390    HG   LEU  59           HG       LEU  59 -11.754   2.022   1.653
  391   HD11  LEU  59          1HD1      LEU  59 -11.395   1.277  -0.892
  392   HD12  LEU  59          2HD1      LEU  59 -12.349   2.740  -1.138
  393   HD13  LEU  59          3HD1      LEU  59 -10.834   2.813  -0.238
  394   HD21  LEU  59          3HD2      LEU  59 -14.503   2.480   1.179
  395   HD22  LEU  59          1HD2      LEU  59 -13.325   3.561   1.929
  396   HD23  LEU  59          2HD2      LEU  59 -13.599   3.627   0.188
  397    H    SER  60           H        SER  60 -13.126   1.258   3.858
  398    HA   SER  60           HA       SER  60 -14.625  -0.369   5.565
  399    HB2  SER  60           2HB      SER  60 -13.424   1.917   5.958
  400    HB3  SER  60           1HB      SER  60 -14.983   2.607   5.531
  401    HG   SER  60           HG       SER  60 -14.990   0.523   7.381
  402    H    GLY  61           H        GLY  61 -16.367  -1.403   4.782
  403    HA2  GLY  61           1HA      GLY  61 -18.709  -1.459   4.493
  404    HA3  GLY  61           2HA      GLY  61 -18.670   0.240   4.038
  405    H    ASN  62           H        ASN  62 -16.205  -1.198   2.436
  406    HA   ASN  62           HA       ASN  62 -17.846  -1.775   0.058
  407    HB2  ASN  62           2HB      ASN  62 -17.034   0.457  -0.230
  408    HB3  ASN  62           1HB      ASN  62 -15.430   0.007   0.318
  409   HD21  ASN  62          1HD2      ASN  62 -15.203   1.326  -1.746
  410   HD22  ASN  62          2HD2      ASN  62 -14.986   0.403  -3.192
  411    H    THR  63           H        THR  63 -17.556  -3.951   0.099
  412    HA   THR  63           HA       THR  63 -14.911  -5.093   0.433
  413    HB   THR  63           HB       THR  63 -16.965  -6.958  -0.438
  414    HG1  THR  63           1HG      THR  63 -17.448  -5.574   2.008
  415   HG21  THR  63          3HG2      THR  63 -14.697  -6.948   1.156
  416   HG22  THR  63          1HG2      THR  63 -15.822  -8.292   0.944
  417   HG23  THR  63          2HG2      THR  63 -16.022  -7.180   2.298
  418    H    GLY  64           H        GLY  64 -14.223  -3.865  -1.521
  419    HA2  GLY  64           1HA      GLY  64 -13.989  -5.699  -3.710
  420    HA3  GLY  64           2HA      GLY  64 -14.978  -4.303  -4.124
  421    H    SER  65           H        SER  65 -13.824  -2.228  -2.964
  422    HA   SER  65           HA       SER  65 -11.204  -2.060  -4.212
  423    HB2  SER  65           2HB      SER  65 -12.300   0.246  -2.695
  424    HB3  SER  65           1HB      SER  65 -11.542   0.192  -4.289
  425    HG   SER  65           HG       SER  65 -13.625  -0.983  -4.857
  426    H    ALA  66           H        ALA  66 -10.203  -3.548  -2.725
  427    HA   ALA  66           HA       ALA  66  -9.912  -2.721   0.037
  428    HB1  ALA  66           1HB      ALA  66  -9.665  -5.150  -1.403
  429    HB2  ALA  66           2HB      ALA  66  -8.117  -4.815  -0.629
  430    HB3  ALA  66           3HB      ALA  66  -9.589  -4.896   0.341
  431    H    CYS  67           H        CYS  67  -7.659  -2.595   0.966
  432    HA   CYS  67           HA       CYS  67  -5.787  -1.460  -0.998
  433    HB2  CYS  67           2HB      CYS  67  -5.857  -0.159   1.667
  434    HB3  CYS  67           1HB      CYS  67  -5.527   0.532   0.086
  435    H    ALA  68           H        ALA  68  -3.573  -1.498  -0.360
  436    HA   ALA  68           HA       ALA  68  -3.027  -3.547   1.682
  437    HB1  ALA  68           1HB      ALA  68  -2.352  -3.520  -1.079
  438    HB2  ALA  68           2HB      ALA  68  -0.867  -3.410  -0.137
  439    HB3  ALA  68           3HB      ALA  68  -1.988  -4.742   0.136
  440    H    LYS  69           H        LYS  69  -1.417  -3.182   3.099
  441    HA   LYS  69           HA       LYS  69  -0.585  -0.414   3.362
  442    HB2  LYS  69           2HB      LYS  69   0.454  -1.614   5.547
  443    HB3  LYS  69           1HB      LYS  69  -1.195  -1.010   5.469
  444    HG2  LYS  69           2HG      LYS  69  -0.668  -3.803   4.602
  445    HG3  LYS  69           1HG      LYS  69  -0.652  -3.437   6.329
  446    HD2  LYS  69           2HD      LYS  69  -2.884  -3.168   6.410
  447    HD3  LYS  69           1HD      LYS  69  -2.932  -2.289   4.874
  448    HE2  LYS  69           2HE      LYS  69  -3.527  -4.113   3.753
  449    HE3  LYS  69           1HE      LYS  69  -2.262  -5.083   4.507
  450    HZ1  LYS  69           3HZ      LYS  69  -3.749  -6.040   5.805
  451    HZ2  LYS  69           1HZ      LYS  69  -4.979  -5.221   4.970
  452    HZ3  LYS  69           2HZ      LYS  69  -4.311  -4.541   6.372
  453    H    ALA  70           H        ALA  70   1.693  -0.009   4.115
  454    HA   ALA  70           HA       ALA  70   3.492  -0.904   2.144
  455    HB1  ALA  70           1HB      ALA  70   3.586   0.886   4.437
  456    HB2  ALA  70           2HB      ALA  70   5.115   0.057   4.142
  457    HB3  ALA  70           3HB      ALA  70   4.370   1.017   2.863
  458    H    SER  71           H        SER  71   2.660  -2.163   5.247
  459    HA   SER  71           HA       SER  71   4.944  -3.806   5.652
  460    HB2  SER  71           2HB      SER  71   2.853  -5.032   6.974
  461    HB3  SER  71           1HB      SER  71   3.853  -3.735   7.640
  462    HG   SER  71           HG       SER  71   1.877  -2.887   7.809
  463    H    LEU  72           H        LEU  72   1.919  -4.084   3.955
  464    HA   LEU  72           HA       LEU  72   2.081  -6.889   3.439
  465    HB2  LEU  72           2HB      LEU  72   0.170  -4.860   3.117
  466    HB3  LEU  72           1HB      LEU  72   0.519  -5.440   1.498
  467    HG   LEU  72           HG       LEU  72  -1.304  -6.722   2.244
  468   HD11  LEU  72          1HD1      LEU  72  -0.262  -8.472   1.345
  469   HD12  LEU  72          2HD1      LEU  72   1.289  -7.982   2.027
  470   HD13  LEU  72          3HD1      LEU  72   0.170  -8.943   2.990
  471   HD21  LEU  72          3HD2      LEU  72  -1.196  -6.155   4.616
  472   HD22  LEU  72          1HD2      LEU  72  -1.342  -7.901   4.401
  473   HD23  LEU  72          2HD2      LEU  72   0.223  -7.188   4.802
  474    H    ILE  73           H        ILE  73   3.151  -3.977   1.848
  475    HA   ILE  73           HA       ILE  73   3.859  -5.176  -0.610
  476    HB   ILE  73           HB       ILE  73   4.665  -2.629   0.760
  477   HG12  ILE  73          2HG1      ILE  73   3.664  -2.565  -1.982
  478   HG13  ILE  73          1HG1      ILE  73   2.554  -3.357  -0.869
  479   HG21  ILE  73          1HG2      ILE  73   5.647  -2.434  -1.828
  480   HG22  ILE  73          2HG2      ILE  73   6.600  -2.557  -0.348
  481   HG23  ILE  73          3HG2      ILE  73   6.203  -4.012  -1.267
  482   HD11  ILE  73          3HD1      ILE  73   2.176  -1.443   0.322
  483   HD12  ILE  73          1HD1      ILE  73   3.723  -0.725  -0.125
  484   HD13  ILE  73          2HD1      ILE  73   2.411  -0.794  -1.300
  485    H    ASP  74           H        ASP  74   5.471  -4.737   2.457
  486    HA   ASP  74           HA       ASP  74   8.009  -5.767   1.637
  487    HB2  ASP  74           2HB      ASP  74   8.043  -4.325   3.502
  488    HB3  ASP  74           1HB      ASP  74   6.731  -5.178   4.300
  489    H    GLN  75           H        GLN  75   5.063  -7.143   2.884
  490    HA   GLN  75           HA       GLN  75   6.267  -9.671   3.586
  491    HB2  GLN  75           2HB      GLN  75   3.908  -8.314   4.268
  492    HB3  GLN  75           1HB      GLN  75   3.390  -9.758   3.406
  493    HG2  GLN  75           2HG      GLN  75   3.499 -10.667   5.460
  494    HG3  GLN  75           1HG      GLN  75   5.205 -10.839   5.053
  495   HE21  GLN  75          1HE2      GLN  75   5.715  -7.985   5.240
  496   HE22  GLN  75          2HE2      GLN  75   5.722  -7.604   6.926
  497    H    LEU  76           H        LEU  76   3.918  -8.569   1.136
  498    HA   LEU  76           HA       LEU  76   4.200 -11.187  -0.171
  499    HB2  LEU  76           2HB      LEU  76   1.984  -9.264   0.147
  500    HB3  LEU  76           1HB      LEU  76   2.081 -10.056  -1.412
  501    HG   LEU  76           HG       LEU  76   0.574 -11.309  -0.053
  502   HD11  LEU  76          1HD1      LEU  76   2.230 -12.550  -1.470
  503   HD12  LEU  76          2HD1      LEU  76   3.164 -12.832  -0.001
  504   HD13  LEU  76          3HD1      LEU  76   1.530 -13.477  -0.142
  505   HD21  LEU  76          3HD2      LEU  76   1.063 -10.666   2.157
  506   HD22  LEU  76          1HD2      LEU  76   1.464 -12.383   2.091
  507   HD23  LEU  76          2HD2      LEU  76   2.747 -11.176   2.022
  508    H    GLY  77           H        GLY  77   4.059  -7.704  -0.878
  509    HA2  GLY  77           1HA      GLY  77   5.273  -6.558  -2.516
  510    HA3  GLY  77           2HA      GLY  77   5.908  -8.099  -3.071
  511    H    LEU  78           H        LEU  78   2.609  -6.840  -2.776
  512    HA   LEU  78           HA       LEU  78   1.862  -7.960  -5.309
  513    HB2  LEU  78           2HB      LEU  78  -0.155  -6.217  -4.517
  514    HB3  LEU  78           1HB      LEU  78  -0.097  -7.948  -4.245
  515    HG   LEU  78           HG       LEU  78   1.348  -7.147  -2.131
  516   HD11  LEU  78          1HD1      LEU  78  -0.705  -4.992  -2.189
  517   HD12  LEU  78          2HD1      LEU  78   0.806  -5.087  -1.284
  518   HD13  LEU  78          3HD1      LEU  78   0.833  -4.734  -3.012
  519   HD21  LEU  78          3HD2      LEU  78  -1.188  -6.897  -1.134
  520   HD22  LEU  78          1HD2      LEU  78  -1.448  -7.812  -2.622
  521   HD23  LEU  78          2HD2      LEU  78  -0.335  -8.418  -1.396
  522    H    LEU  79           H        LEU  79   2.602  -7.035  -7.094
  523    HA   LEU  79           HA       LEU  79   3.357  -4.324  -7.308
  524    HB2  LEU  79           2HB      LEU  79   3.038  -5.113  -9.901
  525    HB3  LEU  79           1HB      LEU  79   4.484  -5.341  -8.940
  526    HG   LEU  79           HG       LEU  79   3.206  -7.586  -8.256
  527   HD11  LEU  79          1HD1      LEU  79   2.336  -7.195 -11.107
  528   HD12  LEU  79          2HD1      LEU  79   1.948  -8.528 -10.017
  529   HD13  LEU  79          3HD1      LEU  79   1.269  -6.925  -9.729
  530   HD21  LEU  79          3HD2      LEU  79   5.145  -6.850 -10.331
  531   HD22  LEU  79          1HD2      LEU  79   5.239  -8.081  -9.072
  532   HD23  LEU  79          2HD2      LEU  79   4.367  -8.415 -10.567
  533    H    ALA  80           H        ALA  80   0.311  -5.828  -7.578
  534    HA   ALA  80           HA       ALA  80  -0.916  -4.064  -9.434
  535    HB1  ALA  80           1HB      ALA  80  -1.690  -6.395  -8.389
  536    HB2  ALA  80           2HB      ALA  80  -2.589  -5.311  -7.328
  537    HB3  ALA  80           3HB      ALA  80  -2.833  -5.240  -9.074
  538    H    LEU  81           H        LEU  81  -0.051  -3.722  -6.113
  539    HA   LEU  81           HA       LEU  81  -1.712  -1.297  -5.959
  540    HB2  LEU  81           2HB      LEU  81  -1.669  -3.582  -4.216
  541    HB3  LEU  81           1HB      LEU  81  -1.188  -2.144  -3.333
  542    HG   LEU  81           HG       LEU  81  -3.732  -2.416  -4.932
  543   HD11  LEU  81          1HD1      LEU  81  -3.898  -2.056  -2.038
  544   HD12  LEU  81          2HD1      LEU  81  -4.805  -3.129  -3.107
  545   HD13  LEU  81          3HD1      LEU  81  -3.204  -3.598  -2.534
  546   HD21  LEU  81          3HD2      LEU  81  -3.993  -0.227  -4.697
  547   HD22  LEU  81          1HD2      LEU  81  -3.663  -0.319  -2.968
  548   HD23  LEU  81          2HD2      LEU  81  -2.333  -0.141  -4.113
  549    H    VAL  82           H        VAL  82   1.053  -1.685  -6.818
  550    HA   VAL  82           HA       VAL  82   2.143   0.402  -5.108
  551    HB   VAL  82           HB       VAL  82   3.061  -1.957  -4.490
  552   HG11  VAL  82          1HG1      VAL  82   4.262  -3.098  -5.966
  553   HG12  VAL  82          2HG1      VAL  82   3.747  -1.938  -7.191
  554   HG13  VAL  82          3HG1      VAL  82   5.263  -1.690  -6.326
  555   HG21  VAL  82          3HG2      VAL  82   5.353  -0.182  -4.985
  556   HG22  VAL  82          1HG2      VAL  82   3.992   0.559  -4.141
  557   HG23  VAL  82          2HG2      VAL  82   4.760  -0.885  -3.480
  558    H    ASP  83           H        ASP  83   3.455   1.844  -6.151
  559    HA   ASP  83           HA       ASP  83   3.819   1.406  -9.038
  560    HB2  ASP  83           2HB      ASP  83   2.070   3.171  -8.280
  561    HB3  ASP  83           1HB      ASP  83   3.478   4.151  -7.860
  562    H    HIS  84           H        HIS  84   5.553   3.056  -9.881
  563    HA   HIS  84           HA       HIS  84   7.744   3.180  -7.953
  564    HB2  HIS  84           2HB      HIS  84   7.528   1.235 -10.055
  565    HB3  HIS  84           1HB      HIS  84   8.908   2.285 -10.363
  566    HD1  HIS  84           1HD      HIS  84  10.723   2.422  -8.412
  567    HD2  HIS  84           2HD      HIS  84   7.917  -0.637  -8.088
  568    HE1  HIS  84           1HE      HIS  84  11.625   0.849  -6.673
  569    HE2  HIS  84           2HE      HIS  84   9.984  -1.072  -6.591
  570    H    THR  85           H        THR  85   7.206   5.441  -8.137
  571    HA   THR  85           HA       THR  85   7.926   6.816 -10.554
  572    HB   THR  85           HB       THR  85   6.301   7.615  -8.698
  573    HG1  THR  85           1HG      THR  85   7.767   8.917 -10.497
  574   HG21  THR  85          3HG2      THR  85   8.414   9.208  -7.498
  575   HG22  THR  85          1HG2      THR  85   8.584   7.490  -7.162
  576   HG23  THR  85          2HG2      THR  85   7.092   8.324  -6.735
  577    H    GLU  86           H        GLU  86   9.681   8.620 -10.277
  578    HA   GLU  86           HA       GLU  86  12.134   7.381 -10.277
  579    HB2  GLU  86           2HB      GLU  86  11.576  10.292  -9.691
  580    HB3  GLU  86           1HB      GLU  86  13.114   9.627 -10.225
  581    HG2  GLU  86           2HG      GLU  86  12.326  10.317 -12.229
  582    HG3  GLU  86           1HG      GLU  86  11.601   8.712 -12.204
  583    H    GLU  87           H        GLU  87  10.549   8.947  -7.542
  584    HA   GLU  87           HA       GLU  87  12.931   8.645  -5.914
  585    HB2  GLU  87           2HB      GLU  87  10.433  10.193  -5.745
  586    HB3  GLU  87           1HB      GLU  87  11.034   9.597  -4.202
  587    HG2  GLU  87           2HG      GLU  87  13.203  10.634  -4.665
  588    HG3  GLU  87           1HG      GLU  87  12.567  11.253  -6.186
  589    H    GLY  88           H        GLY  88  12.037   6.193  -6.692
  590    HA2  GLY  88           1HA      GLY  88  12.194   4.178  -5.536
  591    HA3  GLY  88           2HA      GLY  88  11.769   5.020  -4.054
  592    HA   PRO  89           HA       PRO  89   8.103   2.388  -5.434
  593    HB2  PRO  89           2HB      PRO  89   8.345   1.498  -2.624
  594    HB3  PRO  89           1HB      PRO  89   8.118   0.545  -4.090
  595    HG2  PRO  89           2HG      PRO  89  10.458   0.561  -2.792
  596    HG3  PRO  89           1HG      PRO  89  10.378   0.480  -4.563
  597    HD2  PRO  89           2HD      PRO  89  10.986   2.821  -2.800
  598    HD3  PRO  89           1HD      PRO  89  11.738   2.336  -4.335
  599    H    VAL  90           H        VAL  90   6.049   3.082  -5.027
  600    HA   VAL  90           HA       VAL  90   5.523   4.817  -2.741
  601    HB   VAL  90           HB       VAL  90   4.532   6.496  -4.505
  602   HG11  VAL  90          1HG1      VAL  90   7.398   6.266  -3.642
  603   HG12  VAL  90          2HG1      VAL  90   6.822   7.638  -4.585
  604   HG13  VAL  90          3HG1      VAL  90   6.125   7.305  -2.999
  605   HG21  VAL  90          3HG2      VAL  90   5.993   4.660  -6.161
  606   HG22  VAL  90          1HG2      VAL  90   4.989   6.030  -6.630
  607   HG23  VAL  90          2HG2      VAL  90   6.699   6.271  -6.281
  608    H    CYS  91           H        CYS  91   3.192   5.653  -2.873
  609    HA   CYS  91           HA       CYS  91   1.393   3.536  -3.402
  610    HB2  CYS  91           2HB      CYS  91   1.078   5.444  -1.743
  611    HB3  CYS  91           1HB      CYS  91   0.665   6.455  -3.124
  612    H    LYS  92           H        LYS  92  -0.077   3.273  -5.046
  613    HA   LYS  92           HA       LYS  92   0.838   4.187  -7.605
  614    HB2  LYS  92           2HB      LYS  92  -0.092   1.865  -6.936
  615    HB3  LYS  92           1HB      LYS  92  -1.671   2.614  -7.127
  616    HG2  LYS  92           2HG      LYS  92  -1.569   2.499  -9.348
  617    HG3  LYS  92           1HG      LYS  92   0.086   3.115  -9.389
  618    HD2  LYS  92           2HD      LYS  92   0.843   0.831  -8.678
  619    HD3  LYS  92           1HD      LYS  92  -0.813   0.278  -8.917
  620    HE2  LYS  92           2HE      LYS  92  -0.292  -0.090 -11.042
  621    HE3  LYS  92           1HE      LYS  92  -0.171   1.657 -11.247
  622    HZ1  LYS  92           3HZ      LYS  92   1.818   0.217 -11.905
  623    HZ2  LYS  92           1HZ      LYS  92   2.116   0.091 -10.240
  624    HZ3  LYS  92           2HZ      LYS  92   2.117   1.614 -10.986
  625    H    ASN  93           H        ASN  93  -2.086   4.641  -5.632
  626    HA   ASN  93           HA       ASN  93  -2.822   6.895  -7.341
  627    HB2  ASN  93           2HB      ASN  93  -4.210   4.316  -7.254
  628    HB3  ASN  93           1HB      ASN  93  -5.271   5.686  -6.957
  629   HD21  ASN  93          1HD2      ASN  93  -4.434   3.699  -9.258
  630   HD22  ASN  93          2HD2      ASN  93  -4.461   4.733 -10.651
  631    H    ILE  94           H        ILE  94  -4.687   5.078  -4.934
  632    HA   ILE  94           HA       ILE  94  -5.323   7.638  -3.667
  633    HB   ILE  94           HB       ILE  94  -6.699   5.039  -3.055
  634   HG12  ILE  94          2HG1      ILE  94  -7.829   6.822  -5.163
  635   HG13  ILE  94          1HG1      ILE  94  -6.525   5.731  -5.622
  636   HG21  ILE  94          1HG2      ILE  94  -7.733   7.864  -3.120
  637   HG22  ILE  94          2HG2      ILE  94  -8.568   6.434  -2.513
  638   HG23  ILE  94          3HG2      ILE  94  -7.140   7.040  -1.676
  639   HD11  ILE  94          3HD1      ILE  94  -9.014   5.005  -5.853
  640   HD12  ILE  94          1HD1      ILE  94  -7.798   3.857  -5.288
  641   HD13  ILE  94          2HD1      ILE  94  -8.865   4.655  -4.129
  642    H    VAL  95           H        VAL  95  -4.621   8.136  -1.680
  643    HA   VAL  95           HA       VAL  95  -3.056   6.211  -0.202
  644    HB   VAL  95           HB       VAL  95  -2.256   8.500  -0.309
  645   HG11  VAL  95          1HG1      VAL  95  -3.757  10.046   1.361
  646   HG12  VAL  95          2HG1      VAL  95  -3.803  10.107  -0.400
  647   HG13  VAL  95          3HG1      VAL  95  -4.994   9.149   0.478
  648   HG21  VAL  95          3HG2      VAL  95  -3.139   7.724   2.466
  649   HG22  VAL  95          1HG2      VAL  95  -1.646   7.239   1.654
  650   HG23  VAL  95          2HG2      VAL  95  -1.905   8.929   2.091
  651    H    ALA  96           H        ALA  96  -3.610   5.241   1.748
  652    HA   ALA  96           HA       ALA  96  -6.213   5.831   2.911
  653    HB1  ALA  96           1HB      ALA  96  -6.418   4.132   0.971
  654    HB2  ALA  96           2HB      ALA  96  -5.702   2.992   2.110
  655    HB3  ALA  96           3HB      ALA  96  -7.228   3.789   2.500
  656    H    CYS  97           H        CYS  97  -6.633   4.588   4.875
  657    HA   CYS  97           HA       CYS  97  -4.154   3.816   6.254
  658    HB2  CYS  97           2HB      CYS  97  -6.174   5.581   7.015
  659    HB3  CYS  97           1HB      CYS  97  -6.490   4.131   7.959
  660    H    CYS  98           H        CYS  98  -3.870   1.732   6.703
  661    HA   CYS  98           HA       CYS  98  -6.199  -0.070   6.646
  662    HB2  CYS  98           2HB      CYS  98  -3.628  -0.307   5.098
  663    HB3  CYS  98           1HB      CYS  98  -4.633  -1.707   5.447
  664    HA   PRO  99           HA       PRO  99  -3.880  -1.765  10.112
  665    HB2  PRO  99           2HB      PRO  99  -5.833  -3.208  11.173
  666    HB3  PRO  99           1HB      PRO  99  -5.952  -1.440  11.191
  667    HG2  PRO  99           2HG      PRO  99  -7.251  -3.398   9.326
  668    HG3  PRO  99           1HG      PRO  99  -7.965  -1.997  10.154
  669    HD2  PRO  99           2HD      PRO  99  -7.040  -1.959   7.546
  670    HD3  PRO  99           1HD      PRO  99  -7.186  -0.522   8.577
  671    H    GLU 100           H        GLU 100  -3.525  -4.112  10.844
  672    HA   GLU 100           HA       GLU 100  -4.076  -6.049   8.705
  673    HB2  GLU 100           2HB      GLU 100  -1.537  -5.344   9.822
  674    HB3  GLU 100           1HB      GLU 100  -1.914  -6.995  10.300
  675    HG2  GLU 100           2HG      GLU 100  -1.469  -5.859   7.581
  676    HG3  GLU 100           1HG      GLU 100  -0.794  -7.309   8.319
  677    H    GLY 101           H        GLY 101  -4.382  -8.251   9.488
  678    HA2  GLY 101           1HA      GLY 101  -4.888  -9.760  11.266
  679    HA3  GLY 101           2HA      GLY 101  -5.212  -8.383  12.306
  680    H    THR 102           H        THR 102  -6.973  -6.921  10.711
  681    HA   THR 102           HA       THR 102  -9.082  -8.421   9.624
  682    HB   THR 102           HB       THR 102  -9.197  -9.243  11.982
  683    HG1  THR 102           1HG      THR 102 -11.146  -9.543  11.167
  684   HG21  THR 102          3HG2      THR 102  -9.942  -6.380  12.523
  685   HG22  THR 102          1HG2      THR 102  -8.631  -7.308  13.249
  686   HG23  THR 102          2HG2      THR 102 -10.308  -7.706  13.629
  687    H    THR 103           H        THR 103 -11.212  -7.171   9.710
  688    HA   THR 103           HA       THR 103 -12.476  -5.353   9.307
  689    HB   THR 103           HB       THR 103 -10.501  -3.472  10.560
  690    HG1  THR 103           1HG      THR 103 -10.933  -5.676  11.738
  691   HG21  THR 103          3HG2      THR 103 -12.743  -2.773  11.671
  692   HG22  THR 103          1HG2      THR 103 -13.489  -3.760  10.414
  693   HG23  THR 103          2HG2      THR 103 -12.482  -2.383   9.972
  694    H    ASN 104           H        ASN 104 -11.947  -2.763   8.640
  695    HA   ASN 104           HA       ASN 104 -11.134  -3.371   5.893
  696    HB2  ASN 104           2HB      ASN 104 -12.726  -1.427   5.391
  697    HB3  ASN 104           1HB      ASN 104 -13.444  -2.938   5.932
  698   HD21  ASN 104          1HD2      ASN 104 -11.829  -0.562   7.995
  699   HD22  ASN 104          2HD2      ASN 104 -13.248  -0.113   8.877
  700    H    CYS 105           H        CYS 105 -10.898  -1.157   4.661
  701    HA   CYS 105           HA       CYS 105  -8.796   0.354   6.070
  702    HB2  CYS 105           2HB      CYS 105  -9.249  -0.317   3.162
  703    HB3  CYS 105           1HB      CYS 105  -8.091   0.902   3.678
  704    H    VAL 106           H        VAL 106  -8.870   2.575   6.046
  705    HA   VAL 106           HA       VAL 106 -11.270   3.837   4.922
  706    HB   VAL 106           HB       VAL 106  -9.301   4.900   6.953
  707   HG11  VAL 106          1HG1      VAL 106 -11.618   6.412   7.070
  708   HG12  VAL 106          2HG1      VAL 106 -10.066   6.903   6.387
  709   HG13  VAL 106          3HG1      VAL 106 -11.313   6.214   5.342
  710   HG21  VAL 106          3HG2      VAL 106 -11.715   3.293   7.187
  711   HG22  VAL 106          1HG2      VAL 106 -10.458   3.630   8.377
  712   HG23  VAL 106          2HG2      VAL 106 -11.779   4.774   8.144
  713    H    ALA 107           H        ALA 107 -10.940   4.628   2.939
  714    HA   ALA 107           HA       ALA 107  -8.375   5.523   2.020
  715    HB1  ALA 107           1HB      ALA 107  -9.301   5.581  -0.036
  716    HB2  ALA 107           2HB      ALA 107 -10.596   4.660   0.732
  717    HB3  ALA 107           3HB      ALA 107 -10.755   6.404   0.531
  718    H    VAL 108           H        VAL 108  -7.510   7.470   2.414
  719    HA   VAL 108           HA       VAL 108  -9.226   9.365   3.825
  720    HB   VAL 108           HB       VAL 108  -6.386  10.036   3.787
  721   HG11  VAL 108          1HG1      VAL 108  -6.877   9.926   6.316
  722   HG12  VAL 108          2HG1      VAL 108  -7.683  11.164   5.352
  723   HG13  VAL 108          3HG1      VAL 108  -8.556   9.705   5.827
  724   HG21  VAL 108          3HG2      VAL 108  -6.354   7.501   3.675
  725   HG22  VAL 108          1HG2      VAL 108  -5.530   8.234   5.050
  726   HG23  VAL 108          2HG2      VAL 108  -7.128   7.518   5.259
  727    H    ASP 109           H        ASP 109  -8.797   9.030   0.798
  728    HA   ASP 109           HA       ASP 109  -8.403  11.904   0.325
  729    HB2  ASP 109           2HB      ASP 109  -6.767  10.412  -0.886
  730    HB3  ASP 109           1HB      ASP 109  -8.134   9.754  -1.781
  731    H    ASN 110           H        ASN 110 -10.311  12.755   0.426
  732    HA   ASN 110           HA       ASN 110 -12.298  11.803  -1.515
  733    HB2  ASN 110           2HB      ASN 110 -13.616  13.285   0.553
  734    HB3  ASN 110           1HB      ASN 110 -13.878  11.617   0.067
  735   HD21  ASN 110          1HD2      ASN 110 -13.060   9.978   1.293
  736   HD22  ASN 110          2HD2      ASN 110 -12.289  10.219   2.820
  737    H    ALA 111           H        ALA 111 -10.138  13.644  -1.786
  738    HA   ALA 111           HA       ALA 111 -11.633  16.135  -2.269
  739    HB1  ALA 111           1HB      ALA 111  -9.716  17.444  -1.620
  740    HB2  ALA 111           2HB      ALA 111 -10.161  16.360  -0.300
  741    HB3  ALA 111           3HB      ALA 111  -8.776  15.981  -1.324
  742    H    GLY 112           H        GLY 112  -8.907  14.075  -3.162
  743    HA2  GLY 112           1HA      GLY 112  -8.415  13.514  -5.403
  744    HA3  GLY 112           2HA      GLY 112  -9.235  14.975  -5.932
  745    H    ALA 113           H        ALA 113  -6.288  13.682  -4.523
  746    HA   ALA 113           HA       ALA 113  -4.899  16.212  -4.827
  747    HB1  ALA 113           1HB      ALA 113  -3.956  13.484  -3.959
  748    HB2  ALA 113           2HB      ALA 113  -2.938  14.922  -4.002
  749    HB3  ALA 113           3HB      ALA 113  -4.330  14.860  -2.922
  750    H    GLY 114           H        GLY 114  -2.370  14.981  -5.620
  751    HA2  GLY 114           1HA      GLY 114  -2.917  14.621  -8.484
  752    HA3  GLY 114           2HA      GLY 114  -1.369  15.083  -7.785
  753    H    THR 115           H        THR 115   0.117  13.536  -7.834
  754    HA   THR 115           HA       THR 115  -0.740  10.731  -7.741
  755    HB   THR 115           HB       THR 115   1.800  10.415  -8.304
  756    HG1  THR 115           1HG      THR 115   1.470  12.953  -9.511
  757   HG21  THR 115          3HG2      THR 115   1.316  10.736 -10.736
  758   HG22  THR 115          1HG2      THR 115  -0.209  11.496 -10.283
  759   HG23  THR 115          2HG2      THR 115   0.087   9.806  -9.882
  760    H    LYS 116           H        LYS 116   1.297  13.157  -6.295
  761    HA   LYS 116           HA       LYS 116   1.119  11.927  -3.705
  762    HB2  LYS 116           2HB      LYS 116   3.667  11.919  -5.271
  763    HB3  LYS 116           1HB      LYS 116   3.764  12.284  -3.554
  764    HG2  LYS 116           2HG      LYS 116   3.104  10.184  -2.926
  765    HG3  LYS 116           1HG      LYS 116   2.208   9.916  -4.425
  766    HD2  LYS 116           2HD      LYS 116   5.144  10.220  -4.667
  767    HD3  LYS 116           1HD      LYS 116   4.567   8.742  -3.887
  768    HE2  LYS 116           2HE      LYS 116   4.095   9.725  -6.683
  769    HE3  LYS 116           1HE      LYS 116   4.693   8.158  -6.145
  770    HZ1  LYS 116           3HZ      LYS 116   1.915   9.054  -5.579
  771    HZ2  LYS 116           1HZ      LYS 116   2.545   7.478  -5.535
  772    HZ3  LYS 116           2HZ      LYS 116   2.328   8.259  -7.020
  773    H    ALA 117           H        ALA 117   3.655  14.086  -4.833
  774    HA   ALA 117           HA       ALA 117   2.173  16.362  -3.688
  775    HB1  ALA 117           1HB      ALA 117   4.062  17.201  -2.705
  776    HB2  ALA 117           2HB      ALA 117   4.420  15.477  -2.593
  777    HB3  ALA 117           3HB      ALA 117   5.146  16.447  -3.876
  778    H    GLU 118           H        GLU 118   1.256  16.607  -5.817
  779    HA   GLU 118           HA       GLU 118   3.160  17.598  -7.831
  780    HB2  GLU 118           2HB      GLU 118   0.929  15.754  -8.009
  781    HB3  GLU 118           1HB      GLU 118   0.714  17.112  -9.107
  782    HG2  GLU 118           2HG      GLU 118   2.968  16.668 -10.027
  783    HG3  GLU 118           1HG      GLU 118   3.073  15.247  -8.990
  Start of MODEL   15
    1    H1   SER   1           1H       SER   1  18.147 -11.461  12.457
    2    H2   SER   1           2H       SER   1  16.896 -10.761  13.354
    3    H3   SER   1           3H       SER   1  16.836 -10.746  11.657
    4    HA   SER   1           HA       SER   1  16.240 -12.898  11.476
    5    HB2  SER   1           2HB      SER   1  16.704 -14.203  13.896
    6    HB3  SER   1           1HB      SER   1  17.698 -14.311  12.443
    7    HG   SER   1           HG       SER   1  19.193 -13.174  13.393
    8    H    LEU   2           H        LEU   2  15.860 -13.100  14.942
    9    HA   LEU   2           HA       LEU   2  13.043 -13.285  14.766
   10    HB2  LEU   2           2HB      LEU   2  15.081 -13.524  16.807
   11    HB3  LEU   2           1HB      LEU   2  13.677 -12.666  17.418
   12    HG   LEU   2           HG       LEU   2  12.365 -14.692  16.348
   13   HD11  LEU   2          1HD1      LEU   2  13.584 -16.765  16.417
   14   HD12  LEU   2          2HD1      LEU   2  14.411 -15.653  15.327
   15   HD13  LEU   2          3HD1      LEU   2  15.044 -15.933  16.948
   16   HD21  LEU   2          3HD2      LEU   2  12.333 -14.131  18.710
   17   HD22  LEU   2          1HD2      LEU   2  12.536 -15.870  18.501
   18   HD23  LEU   2          2HD2      LEU   2  13.921 -14.866  18.925
   19    HA   PRO   3           HA       PRO   3  11.939  -9.019  14.870
   20    HB2  PRO   3           2HB      PRO   3   9.388  -9.198  15.730
   21    HB3  PRO   3           1HB      PRO   3   9.884  -9.751  14.125
   22    HG2  PRO   3           2HG      PRO   3   9.402 -11.344  16.615
   23    HG3  PRO   3           1HG      PRO   3   8.924 -11.701  14.947
   24    HD2  PRO   3           2HD      PRO   3  11.102 -12.816  16.154
   25    HD3  PRO   3           1HD      PRO   3  10.989 -12.550  14.403
   26    H    ALA   4           H        ALA   4  13.576  -9.152  16.862
   27    HA   ALA   4           HA       ALA   4  12.358  -8.768  19.447
   28    HB1  ALA   4           1HB      ALA   4  15.197  -8.169  18.625
   29    HB2  ALA   4           2HB      ALA   4  14.588  -8.448  20.255
   30    HB3  ALA   4           3HB      ALA   4  14.628  -9.772  19.090
   31    H    SER   5           H        SER   5  14.273  -6.687  17.285
   32    HA   SER   5           HA       SER   5  13.075  -4.326  18.523
   33    HB2  SER   5           2HB      SER   5  14.939  -3.768  16.379
   34    HB3  SER   5           1HB      SER   5  15.045  -3.346  18.089
   35    HG   SER   5           HG       SER   5  16.673  -4.707  17.956
   36    H    ALA   6           H        ALA   6  12.352  -6.411  16.149
   37    HA   ALA   6           HA       ALA   6  10.747  -6.463  14.559
   38    HB1  ALA   6           1HB      ALA   6  10.006  -3.647  14.494
   39    HB2  ALA   6           2HB      ALA   6   9.016  -5.079  14.778
   40    HB3  ALA   6           3HB      ALA   6   9.928  -4.361  16.106
   41    H    ALA   7           H        ALA   7  12.747  -3.542  14.386
   42    HA   ALA   7           HA       ALA   7  13.878  -2.548  12.689
   43    HB1  ALA   7           1HB      ALA   7  14.155  -4.386  10.651
   44    HB2  ALA   7           2HB      ALA   7  15.268  -4.150  11.997
   45    HB3  ALA   7           3HB      ALA   7  14.020  -5.390  12.093
   46    H    LYS   8           H        LYS   8  11.286  -1.944  12.741
   47    HA   LYS   8           HA       LYS   8  10.563  -1.755   9.900
   48    HB2  LYS   8           2HB      LYS   8   8.908  -2.634  12.212
   49    HB3  LYS   8           1HB      LYS   8   8.131  -1.589  11.032
   50    HG2  LYS   8           2HG      LYS   8   8.091  -3.185   9.441
   51    HG3  LYS   8           1HG      LYS   8   9.638  -3.875   9.937
   52    HD2  LYS   8           2HD      LYS   8   8.155  -4.532  12.076
   53    HD3  LYS   8           1HD      LYS   8   6.889  -4.506  10.846
   54    HE2  LYS   8           2HE      LYS   8   8.867  -5.871   9.573
   55    HE3  LYS   8           1HE      LYS   8   9.115  -6.383  11.239
   56    HZ1  LYS   8           3HZ      LYS   8   7.130  -7.205   9.403
   57    HZ2  LYS   8           1HZ      LYS   8   6.382  -6.514  10.764
   58    HZ3  LYS   8           2HZ      LYS   8   7.459  -7.810  10.951
   59    H    ASN   9           H        ASN   9  10.818   0.213   9.309
   60    HA   ASN   9           HA       ASN   9  10.107   2.371  11.170
   61    HB2  ASN   9           2HB      ASN   9  11.843   3.024   8.861
   62    HB3  ASN   9           1HB      ASN   9  11.929   3.582  10.531
   63   HD21  ASN   9          1HD2      ASN   9  13.209   1.506   8.197
   64   HD22  ASN   9          2HD2      ASN   9  14.299   0.635   9.228
   65    H    ALA  10           H        ALA  10  10.021   4.447   9.457
   66    HA   ALA  10           HA       ALA  10   7.572   3.803   8.001
   67    HB1  ALA  10           1HB      ALA  10   7.033   6.173   8.147
   68    HB2  ALA  10           2HB      ALA  10   7.418   5.525   9.742
   69    HB3  ALA  10           3HB      ALA  10   8.607   6.498   8.876
   70    H    LYS  11           H        LYS  11  10.502   3.617   7.073
   71    HA   LYS  11           HA       LYS  11  10.188   5.210   4.632
   72    HB2  LYS  11           2HB      LYS  11  12.763   3.918   5.517
   73    HB3  LYS  11           1HB      LYS  11  12.540   5.234   4.375
   74    HG2  LYS  11           2HG      LYS  11  11.662   6.550   6.415
   75    HG3  LYS  11           1HG      LYS  11  12.467   5.298   7.362
   76    HD2  LYS  11           2HD      LYS  11  14.035   6.523   5.171
   77    HD3  LYS  11           1HD      LYS  11  13.689   7.545   6.566
   78    HE2  LYS  11           2HE      LYS  11  14.897   6.218   8.009
   79    HE3  LYS  11           1HE      LYS  11  14.724   4.781   7.004
   80    HZ1  LYS  11           3HZ      LYS  11  16.244   5.802   5.394
   81    HZ2  LYS  11           1HZ      LYS  11  16.973   5.580   6.909
   82    HZ3  LYS  11           2HZ      LYS  11  16.463   7.124   6.436
   83    H    LEU  12           H        LEU  12   9.083   3.857   3.273
   84    HA   LEU  12           HA       LEU  12   9.661   1.051   3.153
   85    HB2  LEU  12           2HB      LEU  12   8.442   1.717   0.737
   86    HB3  LEU  12           1HB      LEU  12   7.675   1.035   2.153
   87    HG   LEU  12           HG       LEU  12   7.932   4.017   1.789
   88   HD11  LEU  12          1HD1      LEU  12   5.382   2.669   1.139
   89   HD12  LEU  12          2HD1      LEU  12   6.101   4.133   0.460
   90   HD13  LEU  12          3HD1      LEU  12   6.673   2.547  -0.059
   91   HD21  LEU  12          3HD2      LEU  12   5.774   2.517   3.230
   92   HD22  LEU  12          1HD2      LEU  12   7.311   2.864   4.019
   93   HD23  LEU  12          2HD2      LEU  12   6.298   4.189   3.442
   94    H    ALA  13           H        ALA  13  11.816   0.924   2.873
   95    HA   ALA  13           HA       ALA  13  13.789   0.697   1.778
   96    HB1  ALA  13           1HB      ALA  13  12.086   0.448  -0.296
   97    HB2  ALA  13           2HB      ALA  13  12.958   1.902  -0.781
   98    HB3  ALA  13           3HB      ALA  13  13.842   0.411  -0.458
   99    H    THR  14           H        THR  14  12.007   3.645   1.105
  100    HA   THR  14           HA       THR  14  14.130   5.303   2.098
  101    HB   THR  14           HB       THR  14  13.313   6.059  -0.677
  102    HG1  THR  14           1HG      THR  14  15.644   4.533  -0.430
  103   HG21  THR  14          3HG2      THR  14  15.958   6.328   0.756
  104   HG22  THR  14          1HG2      THR  14  14.665   7.525   0.852
  105   HG23  THR  14          2HG2      THR  14  15.430   7.173  -0.699
  106    H    SER  15           H        SER  15  11.054   5.015   0.388
  107    HA   SER  15           HA       SER  15   9.065   6.098   0.583
  108    HB2  SER  15           2HB      SER  15  10.389   6.850   3.159
  109    HB3  SER  15           1HB      SER  15   8.960   7.767   2.672
  110    HG   SER  15           HG       SER  15   8.339   5.997   3.917
  111    H    ALA  16           H        ALA  16  11.374   8.559   1.737
  112    HA   ALA  16           HA       ALA  16  11.732  10.713   1.107
  113    HB1  ALA  16           1HB      ALA  16  11.893   9.114  -1.406
  114    HB2  ALA  16           2HB      ALA  16  12.069  10.869  -1.478
  115    HB3  ALA  16           3HB      ALA  16  13.172   9.910  -0.488
  116    H    ALA  17           H        ALA  17  10.052  10.178  -1.900
  117    HA   ALA  17           HA       ALA  17   8.459  12.488  -1.661
  118    HB1  ALA  17           1HB      ALA  17   7.940  10.140  -3.474
  119    HB2  ALA  17           2HB      ALA  17   7.466  11.820  -3.718
  120    HB3  ALA  17           3HB      ALA  17   9.170  11.367  -3.787
  121    H    PHE  18           H        PHE  18   7.891   9.129  -0.817
  122    HA   PHE  18           HA       PHE  18   5.095   9.337  -0.430
  123    HB2  PHE  18           2HB      PHE  18   6.426   7.192  -0.622
  124    HB3  PHE  18           1HB      PHE  18   6.945   7.453   1.041
  125    HD1  PHE  18           2HD      PHE  18   3.665   7.761  -0.724
  126    HD2  PHE  18           1HD      PHE  18   5.870   6.035   2.483
  127    HE1  PHE  18           2HE      PHE  18   1.614   6.685   0.106
  128    HE2  PHE  18           1HE      PHE  18   3.824   4.954   3.317
  129    HZ   PHE  18           HZ       PHE  18   1.690   5.279   2.124
  130    H    ALA  19           H        ALA  19   7.843  10.232   1.493
  131    HA   ALA  19           HA       ALA  19   6.417  10.526   3.956
  132    HB1  ALA  19           1HB      ALA  19   8.960  10.267   3.581
  133    HB2  ALA  19           2HB      ALA  19   8.935  12.010   3.325
  134    HB3  ALA  19           3HB      ALA  19   8.389  11.336   4.861
  135    H    LYS  20           H        LYS  20   6.788  12.413   1.098
  136    HA   LYS  20           HA       LYS  20   6.077  14.951   2.220
  137    HB2  LYS  20           2HB      LYS  20   6.353  13.791  -0.507
  138    HB3  LYS  20           1HB      LYS  20   5.280  15.174  -0.353
  139    HG2  LYS  20           2HG      LYS  20   6.970  16.609  -0.108
  140    HG3  LYS  20           1HG      LYS  20   7.862  15.531   0.964
  141    HD2  LYS  20           2HD      LYS  20   9.164  15.841  -1.019
  142    HD3  LYS  20           1HD      LYS  20   8.520  14.199  -1.045
  143    HE2  LYS  20           2HE      LYS  20   8.344  15.233  -3.243
  144    HE3  LYS  20           1HE      LYS  20   6.745  14.916  -2.571
  145    HZ1  LYS  20           3HZ      LYS  20   7.186  17.170  -3.681
  146    HZ2  LYS  20           1HZ      LYS  20   8.014  17.565  -2.252
  147    HZ3  LYS  20           2HZ      LYS  20   6.369  17.157  -2.204
  148    H    GLN  21           H        GLN  21   4.504  12.120   1.173
  149    HA   GLN  21           HA       GLN  21   1.833  13.222   1.097
  150    HB2  GLN  21           2HB      GLN  21   3.104  11.061  -0.077
  151    HB3  GLN  21           1HB      GLN  21   2.108  10.314   1.163
  152    HG2  GLN  21           2HG      GLN  21   0.603  12.304  -0.239
  153    HG3  GLN  21           1HG      GLN  21   1.346  11.184  -1.379
  154   HE21  GLN  21          1HE2      GLN  21   0.299   9.367  -1.770
  155   HE22  GLN  21          2HE2      GLN  21  -0.940   8.675  -0.782
  156    H    ALA  22           H        ALA  22   3.870  11.295   3.206
  157    HA   ALA  22           HA       ALA  22   1.850  10.306   4.903
  158    HB1  ALA  22           1HB      ALA  22   4.316  10.521   6.318
  159    HB2  ALA  22           2HB      ALA  22   3.545   9.085   5.646
  160    HB3  ALA  22           3HB      ALA  22   4.650  10.038   4.655
  161    H    GLU  23           H        GLU  23   3.223  13.424   4.681
  162    HA   GLU  23           HA       GLU  23   2.156  14.079   7.339
  163    HB2  GLU  23           2HB      GLU  23   4.375  15.205   5.720
  164    HB3  GLU  23           1HB      GLU  23   3.438  16.340   6.690
  165    HG2  GLU  23           2HG      GLU  23   4.358  13.844   7.983
  166    HG3  GLU  23           1HG      GLU  23   5.565  15.089   7.648
  167    H    GLY  24           H        GLY  24   0.913  13.764   4.552
  168    HA2  GLY  24           1HA      GLY  24  -0.613  16.291   4.659
  169    HA3  GLY  24           2HA      GLY  24  -0.410  15.327   3.202
  170    H    THR  25           H        THR  25  -0.713  12.827   4.749
  171    HA   THR  25           HA       THR  25  -3.644  12.875   4.921
  172    HB   THR  25           HB       THR  25  -2.981  10.230   4.985
  173    HG1  THR  25           1HG      THR  25  -1.352  10.649   2.928
  174   HG21  THR  25          3HG2      THR  25  -4.383  10.335   3.258
  175   HG22  THR  25          1HG2      THR  25  -3.082  10.958   2.240
  176   HG23  THR  25          2HG2      THR  25  -4.117  12.074   3.133
  177    H    THR  26           H        THR  26  -4.692  12.137   6.746
  178    HA   THR  26           HA       THR  26  -3.054  11.941   9.140
  179    HB   THR  26           HB       THR  26  -5.900  11.646   9.600
  180    HG1  THR  26           1HG      THR  26  -5.047  13.965   8.142
  181   HG21  THR  26          3HG2      THR  26  -5.405  13.874  10.816
  182   HG22  THR  26          1HG2      THR  26  -3.726  13.569  10.367
  183   HG23  THR  26          2HG2      THR  26  -4.590  12.415  11.382
  184    H    CYS  27           H        CYS  27  -2.170   9.939   9.177
  185    HA   CYS  27           HA       CYS  27  -3.946   7.707   9.734
  186    HB2  CYS  27           2HB      CYS  27  -1.832   7.567   7.559
  187    HB3  CYS  27           1HB      CYS  27  -2.752   6.200   8.168
  188    H    ASN  28           H        ASN  28  -2.307   5.698  10.148
  189    HA   ASN  28           HA       ASN  28  -0.342   6.729  12.067
  190    HB2  ASN  28           2HB      ASN  28  -2.238   4.898  12.505
  191    HB3  ASN  28           1HB      ASN  28  -0.992   3.821  11.893
  192   HD21  ASN  28          1HD2      ASN  28  -2.252   4.294  14.575
  193   HD22  ASN  28          2HD2      ASN  28  -0.903   4.478  15.655
  194    H    VAL  29           H        VAL  29   1.753   5.584  12.219
  195    HA   VAL  29           HA       VAL  29   3.053   5.549   9.717
  196    HB   VAL  29           HB       VAL  29   4.931   4.375  11.141
  197   HG11  VAL  29          1HG1      VAL  29   4.011   7.144  10.933
  198   HG12  VAL  29          2HG1      VAL  29   5.088   6.838  12.295
  199   HG13  VAL  29          3HG1      VAL  29   5.611   6.454  10.654
  200   HG21  VAL  29          3HG2      VAL  29   4.491   5.405  13.569
  201   HG22  VAL  29          1HG2      VAL  29   2.832   4.999  13.131
  202   HG23  VAL  29          2HG2      VAL  29   4.073   3.746  13.145
  203    H    GLY  30           H        GLY  30   2.241   2.875  11.934
  204    HA2  GLY  30           1HA      GLY  30   3.156   0.869  10.081
  205    HA3  GLY  30           2HA      GLY  30   2.294   0.585  11.586
  206    H    SER  31           H        SER  31   0.188   2.493  10.737
  207    HA   SER  31           HA       SER  31  -1.331   0.520   9.212
  208    HB2  SER  31           2HB      SER  31  -2.748   2.778  10.487
  209    HB3  SER  31           1HB      SER  31  -3.134   1.055  10.478
  210    HG   SER  31           HG       SER  31  -1.667   0.721  12.106
  211    H    ILE  32           H        ILE  32   0.369   2.057   7.683
  212    HA   ILE  32           HA       ILE  32  -1.521   3.826   6.284
  213    HB   ILE  32           HB       ILE  32   0.794   4.712   7.127
  214   HG12  ILE  32          2HG1      ILE  32   0.208   5.331   4.255
  215   HG13  ILE  32          1HG1      ILE  32  -0.985   5.709   5.490
  216   HG21  ILE  32          1HG2      ILE  32   2.225   3.020   6.201
  217   HG22  ILE  32          2HG2      ILE  32   1.594   3.312   4.581
  218   HG23  ILE  32          3HG2      ILE  32   2.558   4.550   5.389
  219   HD11  ILE  32          3HD1      ILE  32   0.347   7.311   6.471
  220   HD12  ILE  32          1HD1      ILE  32   1.833   6.630   5.809
  221   HD13  ILE  32          2HD1      ILE  32   0.720   7.508   4.760
  222    H    ALA  33           H        ALA  33  -1.921   3.460   4.078
  223    HA   ALA  33           HA       ALA  33  -0.718   1.073   2.905
  224    HB1  ALA  33           1HB      ALA  33  -3.422   1.199   4.053
  225    HB2  ALA  33           2HB      ALA  33  -3.309   0.464   2.453
  226    HB3  ALA  33           3HB      ALA  33  -2.359  -0.182   3.792
  227    H    CYS  34           H        CYS  34  -1.143   0.759   0.719
  228    HA   CYS  34           HA       CYS  34  -2.231   3.085  -0.708
  229    HB2  CYS  34           2HB      CYS  34  -0.280   0.968  -1.633
  230    HB3  CYS  34           1HB      CYS  34  -0.895   2.277  -2.637
  231    H    CYS  35           H        CYS  35  -3.952   2.814  -2.017
  232    HA   CYS  35           HA       CYS  35  -4.937   0.068  -2.422
  233    HB2  CYS  35           2HB      CYS  35  -6.919   2.266  -2.327
  234    HB3  CYS  35           1HB      CYS  35  -7.039   0.616  -1.724
  235    H    ASN  36           H        ASN  36  -6.524  -0.077  -4.267
  236    HA   ASN  36           HA       ASN  36  -6.131   1.902  -6.363
  237    HB2  ASN  36           2HB      ASN  36  -4.285  -0.027  -6.332
  238    HB3  ASN  36           1HB      ASN  36  -5.554  -0.899  -7.190
  239   HD21  ASN  36          1HD2      ASN  36  -5.898  -0.471  -9.288
  240   HD22  ASN  36          2HD2      ASN  36  -5.059   0.732 -10.199
  241    H    SER  37           H        SER  37  -7.456   1.473  -8.254
  242    HA   SER  37           HA       SER  37 -10.100   1.031  -7.737
  243    HB2  SER  37           2HB      SER  37  -9.549   0.253 -10.440
  244    HB3  SER  37           1HB      SER  37 -10.205   1.777  -9.839
  245    HG   SER  37           HG       SER  37  -8.360   2.503 -10.621
  246    HA   PRO  38           HA       PRO  38 -10.672  -3.247  -6.814
  247    HB2  PRO  38           2HB      PRO  38 -13.279  -2.846  -8.146
  248    HB3  PRO  38           1HB      PRO  38 -12.915  -3.432  -6.521
  249    HG2  PRO  38           2HG      PRO  38 -13.856  -0.924  -7.089
  250    HG3  PRO  38           1HG      PRO  38 -12.934  -1.342  -5.639
  251    HD2  PRO  38           2HD      PRO  38 -12.136   0.262  -7.943
  252    HD3  PRO  38           1HD      PRO  38 -11.367   0.118  -6.352
  253    H    ALA  39           H        ALA  39 -11.849  -2.104  -9.989
  254    HA   ALA  39           HA       ALA  39 -12.165  -4.630 -11.142
  255    HB1  ALA  39           1HB      ALA  39 -11.426  -2.596 -13.081
  256    HB2  ALA  39           2HB      ALA  39 -12.943  -3.475 -12.883
  257    HB3  ALA  39           3HB      ALA  39 -12.630  -2.029 -11.923
  258    H    GLU  40           H        GLU  40  -9.288  -2.899 -10.533
  259    HA   GLU  40           HA       GLU  40  -7.804  -4.474 -12.521
  260    HB2  GLU  40           2HB      GLU  40  -6.981  -2.021 -10.954
  261    HB3  GLU  40           1HB      GLU  40  -5.944  -2.887 -12.082
  262    HG2  GLU  40           2HG      GLU  40  -8.564  -1.977 -13.100
  263    HG3  GLU  40           1HG      GLU  40  -7.356  -0.739 -12.768
  264    H    THR  41           H        THR  41  -7.694  -3.426  -9.151
  265    HA   THR  41           HA       THR  41  -5.619  -5.050  -8.239
  266    HB   THR  41           HB       THR  41  -8.082  -4.083  -6.773
  267    HG1  THR  41           1HG      THR  41  -5.575  -2.923  -7.390
  268   HG21  THR  41          3HG2      THR  41  -5.493  -4.443  -5.391
  269   HG22  THR  41          1HG2      THR  41  -6.389  -5.909  -5.800
  270   HG23  THR  41          2HG2      THR  41  -7.141  -4.665  -4.799
  271    H    ASN  42           H        ASN  42  -9.020  -5.735  -8.752
  272    HA   ASN  42           HA       ASN  42  -8.736  -8.354  -7.449
  273    HB2  ASN  42           2HB      ASN  42 -10.886  -6.393  -7.705
  274    HB3  ASN  42           1HB      ASN  42 -11.393  -8.040  -8.049
  275   HD21  ASN  42          1HD2      ASN  42  -9.974  -5.931  -5.659
  276   HD22  ASN  42          2HD2      ASN  42 -10.337  -6.922  -4.292
  277    H    ASN  43           H        ASN  43  -8.045  -7.401 -10.302
  278    HA   ASN  43           HA       ASN  43  -9.832  -8.737 -12.064
  279    HB2  ASN  43           2HB      ASN  43  -7.972  -6.880 -12.485
  280    HB3  ASN  43           1HB      ASN  43  -6.992  -8.294 -12.860
  281   HD21  ASN  43          1HD2      ASN  43  -9.703  -6.347 -13.783
  282   HD22  ASN  43          2HD2      ASN  43  -9.904  -7.024 -15.366
  283    H    ASP  44           H        ASP  44  -7.225  -9.794 -10.102
  284    HA   ASP  44           HA       ASP  44  -7.065 -12.341 -11.554
  285    HB2  ASP  44           2HB      ASP  44  -4.890 -11.348 -11.179
  286    HB3  ASP  44           1HB      ASP  44  -5.241 -11.131  -9.468
  287    H    SER  45           H        SER  45  -7.177 -14.330 -10.357
  288    HA   SER  45           HA       SER  45  -9.287 -14.240  -8.398
  289    HB2  SER  45           2HB      SER  45  -7.895 -16.794  -9.024
  290    HB3  SER  45           1HB      SER  45  -9.622 -16.451  -8.888
  291    HG   SER  45           HG       SER  45  -9.356 -15.258 -10.914
  292    H    LEU  46           H        LEU  46  -5.821 -14.719  -8.381
  293    HA   LEU  46           HA       LEU  46  -5.865 -15.666  -5.624
  294    HB2  LEU  46           2HB      LEU  46  -4.287 -16.646  -7.262
  295    HB3  LEU  46           1HB      LEU  46  -3.509 -15.082  -7.419
  296    HG   LEU  46           HG       LEU  46  -3.198 -15.323  -4.816
  297   HD11  LEU  46          1HD1      LEU  46  -4.564 -17.466  -4.857
  298   HD12  LEU  46          2HD1      LEU  46  -3.159 -18.216  -5.615
  299   HD13  LEU  46          3HD1      LEU  46  -3.023 -17.516  -3.999
  300   HD21  LEU  46          3HD2      LEU  46  -1.066 -15.478  -5.415
  301   HD22  LEU  46          1HD2      LEU  46  -1.296 -17.120  -6.023
  302   HD23  LEU  46          2HD2      LEU  46  -1.620 -15.738  -7.072
  303    H    LEU  47           H        LEU  47  -4.922 -12.854  -7.501
  304    HA   LEU  47           HA       LEU  47  -3.662 -11.278  -5.645
  305    HB2  LEU  47           2HB      LEU  47  -4.799 -10.911  -8.162
  306    HB3  LEU  47           1HB      LEU  47  -5.608  -9.730  -7.145
  307    HG   LEU  47           HG       LEU  47  -2.604  -9.986  -7.304
  308   HD11  LEU  47          1HD1      LEU  47  -3.252  -9.418  -9.500
  309   HD12  LEU  47          2HD1      LEU  47  -4.494  -8.305  -8.926
  310   HD13  LEU  47          3HD1      LEU  47  -2.788  -7.905  -8.720
  311   HD21  LEU  47          3HD2      LEU  47  -4.214  -8.668  -5.500
  312   HD22  LEU  47          1HD2      LEU  47  -2.512  -8.332  -5.819
  313   HD23  LEU  47          2HD2      LEU  47  -3.766  -7.408  -6.652
  314    H    SER  48           H        SER  48  -7.115 -11.883  -5.938
  315    HA   SER  48           HA       SER  48  -7.979  -9.813  -4.248
  316    HB2  SER  48           2HB      SER  48  -9.852 -11.916  -4.092
  317    HB3  SER  48           1HB      SER  48  -9.899 -10.509  -5.157
  318    HG   SER  48           HG       SER  48  -8.955 -11.673  -6.768
  319    H    GLY  49           H        GLY  49  -6.762 -13.017  -3.576
  320    HA2  GLY  49           1HA      GLY  49  -7.456 -12.774  -0.735
  321    HA3  GLY  49           2HA      GLY  49  -6.770 -14.192  -1.515
  322    H    LEU  50           H        LEU  50  -4.797 -12.466  -2.910
  323    HA   LEU  50           HA       LEU  50  -2.644 -12.666  -1.110
  324    HB2  LEU  50           2HB      LEU  50  -3.053 -12.047  -3.837
  325    HB3  LEU  50           1HB      LEU  50  -2.132 -10.721  -3.157
  326    HG   LEU  50           HG       LEU  50  -0.385 -12.236  -2.445
  327   HD11  LEU  50          1HD1      LEU  50  -2.377 -14.170  -2.495
  328   HD12  LEU  50          2HD1      LEU  50  -1.284 -14.618  -3.807
  329   HD13  LEU  50          3HD1      LEU  50  -0.661 -14.421  -2.170
  330   HD21  LEU  50          3HD2      LEU  50  -0.275 -13.363  -4.979
  331   HD22  LEU  50          1HD2      LEU  50  -1.233 -11.895  -5.188
  332   HD23  LEU  50          2HD2      LEU  50   0.385 -11.804  -4.486
  333    H    LEU  51           H        LEU  51  -4.797 -10.046  -1.951
  334    HA   LEU  51           HA       LEU  51  -3.444  -7.916  -0.741
  335    HB2  LEU  51           2HB      LEU  51  -6.429  -8.335  -0.929
  336    HB3  LEU  51           1HB      LEU  51  -5.615  -6.805  -0.666
  337    HG   LEU  51           HG       LEU  51  -4.969  -8.357  -3.127
  338   HD11  LEU  51          1HD1      LEU  51  -6.853  -7.633  -4.302
  339   HD12  LEU  51          2HD1      LEU  51  -7.505  -8.238  -2.779
  340   HD13  LEU  51          3HD1      LEU  51  -7.323  -6.501  -3.035
  341   HD21  LEU  51          3HD2      LEU  51  -3.671  -6.412  -2.758
  342   HD22  LEU  51          1HD2      LEU  51  -4.847  -6.006  -4.009
  343   HD23  LEU  51          2HD2      LEU  51  -5.096  -5.455  -2.353
  344    H    GLY  52           H        GLY  52  -5.676 -10.305   0.584
  345    HA2  GLY  52           1HA      GLY  52  -5.503  -9.170   3.248
  346    HA3  GLY  52           2HA      GLY  52  -6.433 -10.588   2.767
  347    H    ALA  53           H        ALA  53  -3.062  -9.487   3.059
  348    HA   ALA  53           HA       ALA  53  -1.995 -12.116   3.085
  349    HB1  ALA  53           1HB      ALA  53  -0.020 -10.697   4.206
  350    HB2  ALA  53           2HB      ALA  53  -0.350 -10.683   2.473
  351    HB3  ALA  53           3HB      ALA  53  -0.956  -9.382   3.497
  352    H    GLY  54           H        GLY  54  -3.340 -10.046   5.456
  353    HA2  GLY  54           1HA      GLY  54  -2.690 -12.033   7.548
  354    HA3  GLY  54           2HA      GLY  54  -2.743 -10.304   7.880
  355    H    LEU  55           H        LEU  55  -4.960 -11.735   5.671
  356    HA   LEU  55           HA       LEU  55  -7.203 -11.986   5.635
  357    HB2  LEU  55           2HB      LEU  55  -6.392 -13.061   8.153
  358    HB3  LEU  55           1HB      LEU  55  -7.898 -12.194   8.387
  359    HG   LEU  55           HG       LEU  55  -7.637 -14.183   6.157
  360   HD11  LEU  55          1HD1      LEU  55  -7.055 -14.970   8.671
  361   HD12  LEU  55          2HD1      LEU  55  -8.810 -15.143   8.676
  362   HD13  LEU  55          3HD1      LEU  55  -7.844 -15.994   7.471
  363   HD21  LEU  55          3HD2      LEU  55 -10.091 -14.425   6.702
  364   HD22  LEU  55          1HD2      LEU  55  -9.900 -13.037   7.776
  365   HD23  LEU  55          2HD2      LEU  55  -9.599 -12.862   6.048
  366    H    LEU  56           H        LEU  56  -6.103  -9.445   5.715
  367    HA   LEU  56           HA       LEU  56  -7.693  -7.778   7.430
  368    HB2  LEU  56           2HB      LEU  56  -6.699  -5.919   6.100
  369    HB3  LEU  56           1HB      LEU  56  -5.523  -6.961   6.872
  370    HG   LEU  56           HG       LEU  56  -5.994  -7.945   4.241
  371   HD11  LEU  56          1HD1      LEU  56  -6.109  -6.177   2.906
  372   HD12  LEU  56          2HD1      LEU  56  -6.475  -5.216   4.337
  373   HD13  LEU  56          3HD1      LEU  56  -4.811  -5.355   3.771
  374   HD21  LEU  56          3HD2      LEU  56  -3.891  -8.430   4.796
  375   HD22  LEU  56          1HD2      LEU  56  -3.496  -6.788   4.288
  376   HD23  LEU  56          2HD2      LEU  56  -3.818  -7.135   5.988
  377    H    ASN  57           H        ASN  57  -8.700  -5.806   6.054
  378    HA   ASN  57           HA       ASN  57 -10.617  -7.090   4.237
  379    HB2  ASN  57           2HB      ASN  57 -11.253  -6.215   6.682
  380    HB3  ASN  57           1HB      ASN  57 -11.438  -4.704   5.802
  381   HD21  ASN  57          1HD2      ASN  57 -13.489  -6.102   7.115
  382   HD22  ASN  57          2HD2      ASN  57 -14.643  -6.590   5.922
  383    H    GLY  58           H        GLY  58 -11.960  -5.040   3.254
  384    HA2  GLY  58           1HA      GLY  58  -9.857  -3.709   1.681
  385    HA3  GLY  58           2HA      GLY  58 -11.520  -3.955   1.167
  386    H    LEU  59           H        LEU  59 -11.999  -1.864   0.676
  387    HA   LEU  59           HA       LEU  59 -11.399   0.365   2.291
  388    HB2  LEU  59           2HB      LEU  59 -12.675  -0.135  -0.192
  389    HB3  LEU  59           1HB      LEU  59 -13.796   0.794   0.785
  390    HG   LEU  59           HG       LEU  59 -12.248   2.093  -0.752
  391   HD11  LEU  59          1HD1      LEU  59 -11.608   3.592   1.418
  392   HD12  LEU  59          2HD1      LEU  59 -13.184   3.585   0.631
  393   HD13  LEU  59          3HD1      LEU  59 -12.908   2.589   2.060
  394   HD21  LEU  59          3HD2      LEU  59  -9.996   2.507  -0.028
  395   HD22  LEU  59          1HD2      LEU  59 -10.224   1.485   1.393
  396   HD23  LEU  59          2HD2      LEU  59 -10.222   0.766  -0.218
  397    H    SER  60           H        SER  60 -12.731   1.561   3.678
  398    HA   SER  60           HA       SER  60 -14.200   0.114   5.531
  399    HB2  SER  60           2HB      SER  60 -15.079   2.703   5.858
  400    HB3  SER  60           1HB      SER  60 -13.593   2.046   6.536
  401    HG   SER  60           HG       SER  60 -13.970   3.795   4.415
  402    H    GLY  61           H        GLY  61 -15.803  -1.126   4.519
  403    HA2  GLY  61           1HA      GLY  61 -18.146  -1.354   4.355
  404    HA3  GLY  61           2HA      GLY  61 -18.271   0.358   3.983
  405    H    ASN  62           H        ASN  62 -15.824  -0.512   2.074
  406    HA   ASN  62           HA       ASN  62 -17.673  -1.136  -0.133
  407    HB2  ASN  62           2HB      ASN  62 -16.772   1.204  -0.135
  408    HB3  ASN  62           1HB      ASN  62 -15.166   0.524  -0.372
  409   HD21  ASN  62          1HD2      ASN  62 -14.586   0.833  -2.415
  410   HD22  ASN  62          2HD2      ASN  62 -15.594   0.595  -3.797
  411    H    THR  63           H        THR  63 -17.373  -3.187  -0.604
  412    HA   THR  63           HA       THR  63 -14.889  -4.556  -0.383
  413    HB   THR  63           HB       THR  63 -16.916  -5.740  -2.152
  414    HG1  THR  63           1HG      THR  63 -18.467  -5.953  -0.518
  415   HG21  THR  63          3HG2      THR  63 -15.821  -6.708   0.484
  416   HG22  THR  63          1HG2      THR  63 -14.977  -6.915  -1.051
  417   HG23  THR  63          2HG2      THR  63 -16.553  -7.668  -0.802
  418    H    GLY  64           H        GLY  64 -13.294  -4.795  -1.842
  419    HA2  GLY  64           1HA      GLY  64 -12.910  -5.360  -4.274
  420    HA3  GLY  64           2HA      GLY  64 -13.794  -3.876  -4.603
  421    H    SER  65           H        SER  65 -12.836  -2.019  -3.083
  422    HA   SER  65           HA       SER  65 -10.138  -1.646  -3.991
  423    HB2  SER  65           2HB      SER  65 -11.155   0.302  -2.058
  424    HB3  SER  65           1HB      SER  65 -10.591   0.544  -3.713
  425    HG   SER  65           HG       SER  65 -12.580   0.335  -4.445
  426    H    ALA  66           H        ALA  66  -8.915  -3.181  -2.903
  427    HA   ALA  66           HA       ALA  66  -8.861  -3.130   0.008
  428    HB1  ALA  66           1HB      ALA  66  -8.612  -5.210  -1.614
  429    HB2  ALA  66           2HB      ALA  66  -6.912  -4.745  -1.554
  430    HB3  ALA  66           3HB      ALA  66  -7.772  -5.137  -0.065
  431    H    CYS  67           H        CYS  67  -6.748  -2.907   1.119
  432    HA   CYS  67           HA       CYS  67  -4.982  -1.040  -0.310
  433    HB2  CYS  67           2HB      CYS  67  -5.881  -0.812   2.570
  434    HB3  CYS  67           1HB      CYS  67  -4.755   0.266   1.752
  435    H    ALA  68           H        ALA  68  -2.878  -1.470  -0.205
  436    HA   ALA  68           HA       ALA  68  -2.022  -3.613   1.616
  437    HB1  ALA  68           1HB      ALA  68  -0.995  -4.499  -0.127
  438    HB2  ALA  68           2HB      ALA  68  -1.538  -3.161  -1.139
  439    HB3  ALA  68           3HB      ALA  68  -0.002  -3.048  -0.281
  440    H    LYS  69           H        LYS  69  -0.727  -3.163   3.210
  441    HA   LYS  69           HA       LYS  69   0.187  -0.452   3.621
  442    HB2  LYS  69           2HB      LYS  69   0.323  -2.974   5.290
  443    HB3  LYS  69           1HB      LYS  69   1.044  -1.455   5.800
  444    HG2  LYS  69           2HG      LYS  69  -1.031  -1.585   6.886
  445    HG3  LYS  69           1HG      LYS  69  -1.251  -0.429   5.574
  446    HD2  LYS  69           2HD      LYS  69  -3.126  -2.080   5.882
  447    HD3  LYS  69           1HD      LYS  69  -2.437  -2.021   4.260
  448    HE2  LYS  69           2HE      LYS  69  -2.785  -4.320   4.888
  449    HE3  LYS  69           1HE      LYS  69  -1.050  -3.996   4.833
  450    HZ1  LYS  69           3HZ      LYS  69  -1.472  -5.226   6.785
  451    HZ2  LYS  69           1HZ      LYS  69  -2.772  -4.225   7.230
  452    HZ3  LYS  69           2HZ      LYS  69  -1.186  -3.632   7.279
  453    H    ALA  70           H        ALA  70   2.471  -0.108   4.399
  454    HA   ALA  70           HA       ALA  70   4.375  -1.016   2.543
  455    HB1  ALA  70           1HB      ALA  70   4.820   0.114   5.308
  456    HB2  ALA  70           2HB      ALA  70   6.052  -0.050   4.056
  457    HB3  ALA  70           3HB      ALA  70   4.684   1.038   3.811
  458    H    SER  71           H        SER  71   3.304  -2.255   5.610
  459    HA   SER  71           HA       SER  71   5.323  -4.199   6.020
  460    HB2  SER  71           2HB      SER  71   2.890  -5.069   7.186
  461    HB3  SER  71           1HB      SER  71   4.218  -4.218   7.983
  462    HG   SER  71           HG       SER  71   2.583  -2.845   8.266
  463    H    LEU  72           H        LEU  72   2.559  -4.010   3.975
  464    HA   LEU  72           HA       LEU  72   2.401  -6.875   3.540
  465    HB2  LEU  72           2HB      LEU  72   0.601  -4.735   3.281
  466    HB3  LEU  72           1HB      LEU  72   0.895  -5.307   1.648
  467    HG   LEU  72           HG       LEU  72   0.290  -7.597   2.371
  468   HD11  LEU  72          1HD1      LEU  72  -0.520  -8.090   4.493
  469   HD12  LEU  72          2HD1      LEU  72   0.864  -7.044   4.814
  470   HD13  LEU  72          3HD1      LEU  72  -0.774  -6.392   4.899
  471   HD21  LEU  72          3HD2      LEU  72  -2.036  -7.256   2.318
  472   HD22  LEU  72          1HD2      LEU  72  -1.899  -5.659   3.058
  473   HD23  LEU  72          2HD2      LEU  72  -1.335  -5.917   1.406
  474    H    ILE  73           H        ILE  73   3.812  -4.055   2.113
  475    HA   ILE  73           HA       ILE  73   4.348  -5.017  -0.459
  476    HB   ILE  73           HB       ILE  73   5.479  -2.903   1.279
  477   HG12  ILE  73          2HG1      ILE  73   5.345  -2.027  -1.347
  478   HG13  ILE  73          1HG1      ILE  73   4.041  -3.205  -1.245
  479   HG21  ILE  73          1HG2      ILE  73   7.060  -4.145  -0.954
  480   HG22  ILE  73          2HG2      ILE  73   7.266  -2.454  -0.499
  481   HG23  ILE  73          3HG2      ILE  73   7.588  -3.730   0.677
  482   HD11  ILE  73          3HD1      ILE  73   2.973  -1.995   0.496
  483   HD12  ILE  73          1HD1      ILE  73   4.374  -0.945   0.710
  484   HD13  ILE  73          2HD1      ILE  73   3.403  -0.831  -0.757
  485    H    ASP  74           H        ASP  74   6.014  -5.474   2.608
  486    HA   ASP  74           HA       ASP  74   8.021  -7.206   1.402
  487    HB2  ASP  74           2HB      ASP  74   8.683  -5.638   3.181
  488    HB3  ASP  74           1HB      ASP  74   7.559  -6.413   4.291
  489    H    GLN  75           H        GLN  75   4.885  -7.561   2.371
  490    HA   GLN  75           HA       GLN  75   5.200 -10.111   3.720
  491    HB2  GLN  75           2HB      GLN  75   3.277  -8.102   3.811
  492    HB3  GLN  75           1HB      GLN  75   2.479  -9.418   2.964
  493    HG2  GLN  75           2HG      GLN  75   2.338  -9.247   5.548
  494    HG3  GLN  75           1HG      GLN  75   2.551 -10.816   4.773
  495   HE21  GLN  75          1HE2      GLN  75   4.618  -8.126   5.821
  496   HE22  GLN  75          2HE2      GLN  75   5.778  -9.119   6.634
  497    H    LEU  76           H        LEU  76   3.569  -8.920   0.774
  498    HA   LEU  76           HA       LEU  76   3.813 -11.646  -0.316
  499    HB2  LEU  76           2HB      LEU  76   1.444 -10.024   0.121
  500    HB3  LEU  76           1HB      LEU  76   1.586 -10.538  -1.550
  501    HG   LEU  76           HG       LEU  76   0.260 -12.173  -0.464
  502   HD11  LEU  76          1HD1      LEU  76   1.952 -14.160  -0.323
  503   HD12  LEU  76          2HD1      LEU  76   1.605 -13.387  -1.868
  504   HD13  LEU  76          3HD1      LEU  76   3.079 -12.979  -0.987
  505   HD21  LEU  76          3HD2      LEU  76   0.417 -12.061   1.783
  506   HD22  LEU  76          1HD2      LEU  76   1.564 -13.381   1.554
  507   HD23  LEU  76          2HD2      LEU  76   2.149 -11.729   1.755
  508    H    GLY  77           H        GLY  77   4.554  -8.412  -0.703
  509    HA2  GLY  77           1HA      GLY  77   5.578  -7.266  -2.411
  510    HA3  GLY  77           2HA      GLY  77   5.778  -8.809  -3.223
  511    H    LEU  78           H        LEU  78   2.898  -6.971  -2.289
  512    HA   LEU  78           HA       LEU  78   1.552  -7.598  -4.710
  513    HB2  LEU  78           2HB      LEU  78   0.925  -5.600  -2.549
  514    HB3  LEU  78           1HB      LEU  78  -0.142  -5.963  -3.891
  515    HG   LEU  78           HG       LEU  78   0.773  -8.063  -1.938
  516   HD11  LEU  78          1HD1      LEU  78  -0.552  -7.179  -0.399
  517   HD12  LEU  78          2HD1      LEU  78  -1.029  -5.886  -1.500
  518   HD13  LEU  78          3HD1      LEU  78  -1.917  -7.409  -1.489
  519   HD21  LEU  78          3HD2      LEU  78  -0.469  -9.482  -3.132
  520   HD22  LEU  78          1HD2      LEU  78  -1.815  -8.345  -3.225
  521   HD23  LEU  78          2HD2      LEU  78  -0.492  -8.243  -4.386
  522    H    LEU  79           H        LEU  79   1.563  -6.559  -6.608
  523    HA   LEU  79           HA       LEU  79   2.725  -3.860  -6.700
  524    HB2  LEU  79           2HB      LEU  79   2.869  -4.460  -9.234
  525    HB3  LEU  79           1HB      LEU  79   4.053  -5.105  -8.114
  526    HG   LEU  79           HG       LEU  79   2.472  -7.173  -8.018
  527   HD11  LEU  79          1HD1      LEU  79   0.600  -6.239  -9.229
  528   HD12  LEU  79          2HD1      LEU  79   1.629  -5.905 -10.623
  529   HD13  LEU  79          3HD1      LEU  79   1.298  -7.572 -10.151
  530   HD21  LEU  79          3HD2      LEU  79   4.131  -6.551 -10.454
  531   HD22  LEU  79          1HD2      LEU  79   4.732  -7.180  -8.921
  532   HD23  LEU  79          2HD2      LEU  79   3.652  -8.160  -9.911
  533    H    ALA  80           H        ALA  80  -0.184  -5.142  -6.458
  534    HA   ALA  80           HA       ALA  80  -1.552  -4.173  -8.767
  535    HB1  ALA  80           1HB      ALA  80  -3.520  -4.980  -7.768
  536    HB2  ALA  80           2HB      ALA  80  -2.251  -6.094  -7.261
  537    HB3  ALA  80           3HB      ALA  80  -2.843  -4.866  -6.144
  538    H    LEU  81           H        LEU  81  -0.760  -2.798  -5.659
  539    HA   LEU  81           HA       LEU  81  -2.363  -0.426  -6.355
  540    HB2  LEU  81           2HB      LEU  81  -2.027  -0.945  -3.482
  541    HB3  LEU  81           1HB      LEU  81  -3.420  -0.347  -4.361
  542    HG   LEU  81           HG       LEU  81  -3.125  -3.061  -5.076
  543   HD11  LEU  81          1HD1      LEU  81  -3.176  -4.203  -2.973
  544   HD12  LEU  81          2HD1      LEU  81  -1.706  -3.233  -3.060
  545   HD13  LEU  81          3HD1      LEU  81  -3.072  -2.676  -2.095
  546   HD21  LEU  81          3HD2      LEU  81  -5.149  -2.553  -3.078
  547   HD22  LEU  81          1HD2      LEU  81  -5.103  -1.277  -4.296
  548   HD23  LEU  81          2HD2      LEU  81  -5.326  -2.957  -4.785
  549    H    VAL  82           H        VAL  82   0.637  -1.481  -6.065
  550    HA   VAL  82           HA       VAL  82   1.611   0.940  -4.708
  551    HB   VAL  82           HB       VAL  82   3.276  -1.519  -5.222
  552   HG11  VAL  82          1HG1      VAL  82   4.913  -0.252  -4.405
  553   HG12  VAL  82          2HG1      VAL  82   3.784   1.085  -4.166
  554   HG13  VAL  82          3HG1      VAL  82   4.026  -0.109  -2.885
  555   HG21  VAL  82          3HG2      VAL  82   1.668  -0.890  -2.743
  556   HG22  VAL  82          1HG2      VAL  82   1.384  -2.225  -3.861
  557   HG23  VAL  82          2HG2      VAL  82   2.856  -2.184  -2.891
  558    H    ASP  83           H        ASP  83   2.957   2.289  -5.769
  559    HA   ASP  83           HA       ASP  83   3.495   1.620  -8.586
  560    HB2  ASP  83           2HB      ASP  83   1.900   3.619  -7.786
  561    HB3  ASP  83           1HB      ASP  83   3.439   4.465  -7.719
  562    H    HIS  84           H        HIS  84   5.478   2.457  -9.475
  563    HA   HIS  84           HA       HIS  84   7.469   3.075  -7.404
  564    HB2  HIS  84           2HB      HIS  84   7.530   0.942  -9.478
  565    HB3  HIS  84           1HB      HIS  84   9.041   1.791  -9.153
  566    HD1  HIS  84           1HD      HIS  84   6.322   0.073  -7.109
  567    HD2  HIS  84           2HD      HIS  84  10.432   0.673  -7.125
  568    HE1  HIS  84           1HE      HIS  84   7.187  -1.171  -5.108
  569    HE2  HIS  84           2HE      HIS  84   9.699  -0.988  -5.269
  570    H    THR  85           H        THR  85   8.255   4.990  -7.696
  571    HA   THR  85           HA       THR  85   8.295   6.115 -10.417
  572    HB   THR  85           HB       THR  85   8.549   8.299  -8.869
  573    HG1  THR  85           1HG      THR  85   6.962   6.484  -7.344
  574   HG21  THR  85          3HG2      THR  85   6.431   8.836  -9.552
  575   HG22  THR  85          1HG2      THR  85   5.770   7.264  -9.093
  576   HG23  THR  85          2HG2      THR  85   6.703   7.429 -10.580
  577    H    GLU  86           H        GLU  86   9.952   8.233 -10.036
  578    HA   GLU  86           HA       GLU  86  12.506   6.969 -10.117
  579    HB2  GLU  86           2HB      GLU  86  11.895   9.928 -10.101
  580    HB3  GLU  86           1HB      GLU  86  13.369   9.155 -10.671
  581    HG2  GLU  86           2HG      GLU  86  12.041   8.010 -12.418
  582    HG3  GLU  86           1HG      GLU  86  10.627   8.916 -11.886
  583    H    GLU  87           H        GLU  87  10.655   8.488  -7.647
  584    HA   GLU  87           HA       GLU  87  12.960   8.913  -5.926
  585    HB2  GLU  87           2HB      GLU  87  10.071   9.119  -5.113
  586    HB3  GLU  87           1HB      GLU  87  11.463   9.897  -4.377
  587    HG2  GLU  87           2HG      GLU  87  10.927  11.700  -5.558
  588    HG3  GLU  87           1HG      GLU  87  11.497  10.828  -6.980
  589    H    GLY  88           H        GLY  88  10.830   6.373  -6.679
  590    HA2  GLY  88           1HA      GLY  88  11.791   4.236  -5.755
  591    HA3  GLY  88           2HA      GLY  88  11.575   4.982  -4.181
  592    HA   PRO  89           HA       PRO  89   7.786   2.511  -4.874
  593    HB2  PRO  89           2HB      PRO  89   7.971   1.739  -2.105
  594    HB3  PRO  89           1HB      PRO  89   8.181   0.731  -3.538
  595    HG2  PRO  89           2HG      PRO  89  10.203   1.369  -1.799
  596    HG3  PRO  89           1HG      PRO  89  10.453   0.935  -3.500
  597    HD2  PRO  89           2HD      PRO  89  10.395   3.638  -2.216
  598    HD3  PRO  89           1HD      PRO  89  11.462   3.016  -3.495
  599    H    VAL  90           H        VAL  90   5.819   3.372  -4.631
  600    HA   VAL  90           HA       VAL  90   5.152   4.945  -2.269
  601    HB   VAL  90           HB       VAL  90   4.264   6.789  -3.827
  602   HG11  VAL  90          1HG1      VAL  90   5.971   7.523  -2.470
  603   HG12  VAL  90          2HG1      VAL  90   7.115   6.330  -3.085
  604   HG13  VAL  90          3HG1      VAL  90   6.699   7.737  -4.064
  605   HG21  VAL  90          3HG2      VAL  90   5.497   7.064  -5.934
  606   HG22  VAL  90          1HG2      VAL  90   6.286   5.509  -5.663
  607   HG23  VAL  90          2HG2      VAL  90   4.542   5.580  -5.923
  608    H    CYS  91           H        CYS  91   2.826   5.963  -2.752
  609    HA   CYS  91           HA       CYS  91   1.085   3.759  -3.242
  610    HB2  CYS  91           2HB      CYS  91   0.763   6.607  -2.431
  611    HB3  CYS  91           1HB      CYS  91  -0.633   5.803  -3.138
  612    H    LYS  92           H        LYS  92  -0.054   3.258  -5.024
  613    HA   LYS  92           HA       LYS  92   0.753   4.418  -7.511
  614    HB2  LYS  92           2HB      LYS  92   0.243   1.993  -7.150
  615    HB3  LYS  92           1HB      LYS  92  -1.456   2.423  -7.020
  616    HG2  LYS  92           2HG      LYS  92  -1.701   2.563  -9.225
  617    HG3  LYS  92           1HG      LYS  92  -0.204   3.477  -9.422
  618    HD2  LYS  92           2HD      LYS  92   1.088   1.416  -9.279
  619    HD3  LYS  92           1HD      LYS  92  -0.399   0.492  -9.055
  620    HE2  LYS  92           2HE      LYS  92  -0.171   0.211 -11.295
  621    HE3  LYS  92           1HE      LYS  92  -1.034   1.750 -11.320
  622    HZ1  LYS  92           3HZ      LYS  92   1.538   1.165 -12.299
  623    HZ2  LYS  92           1HZ      LYS  92   1.685   2.319 -11.063
  624    HZ3  LYS  92           2HZ      LYS  92   0.677   2.626 -12.392
  625    H    ASN  93           H        ASN  93  -2.296   4.304  -5.713
  626    HA   ASN  93           HA       ASN  93  -3.305   6.508  -7.372
  627    HB2  ASN  93           2HB      ASN  93  -4.257   3.768  -7.356
  628    HB3  ASN  93           1HB      ASN  93  -5.529   4.882  -6.872
  629   HD21  ASN  93          1HD2      ASN  93  -4.189   3.342  -9.391
  630   HD22  ASN  93          2HD2      ASN  93  -4.691   4.377 -10.687
  631    H    ILE  94           H        ILE  94  -4.670   4.374  -4.904
  632    HA   ILE  94           HA       ILE  94  -5.788   6.729  -3.568
  633    HB   ILE  94           HB       ILE  94  -6.536   3.802  -3.515
  634   HG12  ILE  94          2HG1      ILE  94  -8.651   5.602  -4.210
  635   HG13  ILE  94          1HG1      ILE  94  -7.239   5.960  -5.198
  636   HG21  ILE  94          1HG2      ILE  94  -8.035   5.982  -2.105
  637   HG22  ILE  94          2HG2      ILE  94  -8.286   4.240  -2.010
  638   HG23  ILE  94          3HG2      ILE  94  -6.844   4.963  -1.296
  639   HD11  ILE  94          3HD1      ILE  94  -9.097   3.771  -5.373
  640   HD12  ILE  94          1HD1      ILE  94  -7.872   4.308  -6.522
  641   HD13  ILE  94          2HD1      ILE  94  -7.436   3.191  -5.227
  642    H    VAL  95           H        VAL  95  -5.367   7.186  -1.455
  643    HA   VAL  95           HA       VAL  95  -3.388   5.482  -0.101
  644    HB   VAL  95           HB       VAL  95  -2.459   7.670  -0.610
  645   HG11  VAL  95          1HG1      VAL  95  -4.429   9.001  -0.846
  646   HG12  VAL  95          2HG1      VAL  95  -4.852   8.768   0.851
  647   HG13  VAL  95          3HG1      VAL  95  -3.430   9.716   0.420
  648   HG21  VAL  95          3HG2      VAL  95  -1.473   7.032   1.340
  649   HG22  VAL  95          1HG2      VAL  95  -2.256   8.515   1.890
  650   HG23  VAL  95          2HG2      VAL  95  -3.001   6.949   2.217
  651    H    ALA  96           H        ALA  96  -3.764   4.848   2.009
  652    HA   ALA  96           HA       ALA  96  -6.165   5.784   3.369
  653    HB1  ALA  96           1HB      ALA  96  -5.850   2.997   2.298
  654    HB2  ALA  96           2HB      ALA  96  -6.908   3.363   3.660
  655    HB3  ALA  96           3HB      ALA  96  -7.200   4.112   2.092
  656    H    CYS  97           H        CYS  97  -6.425   4.733   5.518
  657    HA   CYS  97           HA       CYS  97  -3.853   3.809   6.612
  658    HB2  CYS  97           2HB      CYS  97  -5.832   4.552   8.610
  659    HB3  CYS  97           1HB      CYS  97  -4.168   5.095   8.427
  660    H    CYS  98           H        CYS  98  -3.778   1.697   7.092
  661    HA   CYS  98           HA       CYS  98  -6.289   0.267   7.590
  662    HB2  CYS  98           2HB      CYS  98  -5.972   0.145   5.195
  663    HB3  CYS  98           1HB      CYS  98  -4.308  -0.380   5.398
  664    HA   PRO  99           HA       PRO  99  -3.612  -1.975  10.400
  665    HB2  PRO  99           2HB      PRO  99  -5.420  -3.676  11.375
  666    HB3  PRO  99           1HB      PRO  99  -5.564  -1.940  11.684
  667    HG2  PRO  99           2HG      PRO  99  -6.995  -3.615   9.657
  668    HG3  PRO  99           1HG      PRO  99  -7.652  -2.390  10.757
  669    HD2  PRO  99           2HD      PRO  99  -7.019  -1.912   8.131
  670    HD3  PRO  99           1HD      PRO  99  -7.031  -0.658   9.389
  671    H    GLU 100           H        GLU 100  -3.345  -4.510  10.922
  672    HA   GLU 100           HA       GLU 100  -2.533  -5.658   8.409
  673    HB2  GLU 100           2HB      GLU 100  -1.359  -5.749  10.766
  674    HB3  GLU 100           1HB      GLU 100  -2.347  -7.190  10.962
  675    HG2  GLU 100           2HG      GLU 100  -0.038  -7.600  10.089
  676    HG3  GLU 100           1HG      GLU 100  -1.337  -8.246   9.080
  677    H    GLY 101           H        GLY 101  -5.145  -6.233  10.698
  678    HA2  GLY 101           1HA      GLY 101  -6.606  -7.736   8.819
  679    HA3  GLY 101           2HA      GLY 101  -5.791  -8.843   9.908
  680    H    THR 102           H        THR 102  -7.700  -5.842  10.120
  681    HA   THR 102           HA       THR 102  -9.672  -7.213  11.724
  682    HB   THR 102           HB       THR 102  -9.118  -4.734  13.089
  683    HG1  THR 102           1HG      THR 102  -7.041  -6.305  13.824
  684   HG21  THR 102          3HG2      THR 102 -10.097  -6.047  14.611
  685   HG22  THR 102          1HG2      THR 102  -8.548  -6.871  14.793
  686   HG23  THR 102          2HG2      THR 102  -9.753  -7.498  13.668
  687    H    THR 103           H        THR 103 -11.425  -6.727  10.610
  688    HA   THR 103           HA       THR 103 -12.983  -5.629   9.378
  689    HB   THR 103           HB       THR 103 -12.703  -2.945  10.337
  690    HG1  THR 103           1HG      THR 103 -11.465  -3.819  12.030
  691   HG21  THR 103          3HG2      THR 103 -14.793  -3.989  11.720
  692   HG22  THR 103          1HG2      THR 103 -14.648  -5.152  10.400
  693   HG23  THR 103          2HG2      THR 103 -14.884  -3.439  10.046
  694    H    ASN 104           H        ASN 104 -13.378  -3.301   8.285
  695    HA   ASN 104           HA       ASN 104 -11.534  -3.350   6.105
  696    HB2  ASN 104           2HB      ASN 104 -13.048  -1.210   5.530
  697    HB3  ASN 104           1HB      ASN 104 -13.565  -2.861   5.223
  698   HD21  ASN 104          1HD2      ASN 104 -13.500  -0.703   8.065
  699   HD22  ASN 104          2HD2      ASN 104 -15.165  -0.960   8.491
  700    H    CYS 105           H        CYS 105 -10.674  -1.269   5.199
  701    HA   CYS 105           HA       CYS 105  -9.372   0.191   7.411
  702    HB2  CYS 105           2HB      CYS 105  -8.271   0.057   4.624
  703    HB3  CYS 105           1HB      CYS 105  -7.417   0.232   6.152
  704    H    VAL 106           H        VAL 106  -9.199   2.422   7.277
  705    HA   VAL 106           HA       VAL 106 -11.274   3.669   5.697
  706    HB   VAL 106           HB       VAL 106 -11.268   4.377   7.944
  707   HG11  VAL 106          1HG1      VAL 106  -8.307   4.595   7.617
  708   HG12  VAL 106          2HG1      VAL 106  -9.133   5.531   8.862
  709   HG13  VAL 106          3HG1      VAL 106  -9.242   3.770   8.865
  710   HG21  VAL 106          3HG2      VAL 106 -10.796   6.203   5.868
  711   HG22  VAL 106          1HG2      VAL 106 -11.629   6.490   7.393
  712   HG23  VAL 106          2HG2      VAL 106  -9.896   6.792   7.265
  713    H    ALA 107           H        ALA 107 -10.902   4.533   3.772
  714    HA   ALA 107           HA       ALA 107  -8.187   5.364   3.062
  715    HB1  ALA 107           1HB      ALA 107  -8.689   4.813   0.957
  716    HB2  ALA 107           2HB      ALA 107 -10.130   4.044   1.619
  717    HB3  ALA 107           3HB      ALA 107 -10.214   5.695   1.002
  718    H    VAL 108           H        VAL 108  -7.620   7.446   3.066
  719    HA   VAL 108           HA       VAL 108  -9.654   9.425   3.692
  720    HB   VAL 108           HB       VAL 108  -7.157  10.716   3.453
  721   HG11  VAL 108          1HG1      VAL 108  -9.225  10.265   5.390
  722   HG12  VAL 108          2HG1      VAL 108  -7.642  10.200   6.166
  723   HG13  VAL 108          3HG1      VAL 108  -8.113  11.624   5.238
  724   HG21  VAL 108          3HG2      VAL 108  -5.545   9.329   4.104
  725   HG22  VAL 108          1HG2      VAL 108  -6.508   8.759   5.467
  726   HG23  VAL 108          2HG2      VAL 108  -6.682   7.999   3.887
  727    H    ASP 109           H        ASP 109  -8.891   8.142   0.967
  728    HA   ASP 109           HA       ASP 109  -8.189  10.378  -0.675
  729    HB2  ASP 109           2HB      ASP 109  -7.630   8.103  -1.401
  730    HB3  ASP 109           1HB      ASP 109  -9.343   7.695  -1.469
  731    H    ASN 110           H        ASN 110  -9.449  11.615  -1.921
  732    HA   ASN 110           HA       ASN 110 -12.049  11.496  -2.632
  733    HB2  ASN 110           2HB      ASN 110 -13.436  12.397  -0.974
  734    HB3  ASN 110           1HB      ASN 110 -12.401  11.307  -0.059
  735   HD21  ASN 110          1HD2      ASN 110 -10.714  12.199   1.209
  736   HD22  ASN 110          2HD2      ASN 110 -10.798  13.838   1.765
  737    H    ALA 111           H        ALA 111  -9.269  13.168  -1.776
  738    HA   ALA 111           HA       ALA 111 -10.044  15.818  -2.431
  739    HB1  ALA 111           1HB      ALA 111  -7.244  15.394  -2.858
  740    HB2  ALA 111           2HB      ALA 111  -8.050  16.273  -1.559
  741    HB3  ALA 111           3HB      ALA 111  -7.759  14.542  -1.402
  742    H    GLY 112           H        GLY 112  -8.414  13.245  -4.262
  743    HA2  GLY 112           1HA      GLY 112  -9.035  13.000  -6.614
  744    HA3  GLY 112           2HA      GLY 112  -9.070  14.753  -6.713
  745    H    ALA 113           H        ALA 113  -7.291  12.031  -7.349
  746    HA   ALA 113           HA       ALA 113  -5.236  11.648  -8.203
  747    HB1  ALA 113           1HB      ALA 113  -5.727  14.465  -8.841
  748    HB2  ALA 113           2HB      ALA 113  -4.020  14.018  -8.803
  749    HB3  ALA 113           3HB      ALA 113  -5.135  13.151  -9.859
  750    H    GLY 114           H        GLY 114  -5.229  11.332  -5.605
  751    HA2  GLY 114           1HA      GLY 114  -2.993  12.947  -4.540
  752    HA3  GLY 114           2HA      GLY 114  -4.207  12.144  -3.556
  753    H    THR 115           H        THR 115  -1.751  11.305  -6.013
  754    HA   THR 115           HA       THR 115  -1.262   8.778  -4.674
  755    HB   THR 115           HB       THR 115  -1.047   8.343  -6.917
  756    HG1  THR 115           1HG      THR 115   0.936   7.668  -6.344
  757   HG21  THR 115          3HG2      THR 115  -0.783   9.862  -8.576
  758   HG22  THR 115          1HG2      THR 115   0.531  10.702  -7.747
  759   HG23  THR 115          2HG2      THR 115  -1.143  11.008  -7.284
  760    H    LYS 116           H        LYS 116   0.410  11.796  -5.394
  761    HA   LYS 116           HA       LYS 116   2.009  11.539  -2.989
  762    HB2  LYS 116           2HB      LYS 116   3.164  11.554  -5.771
  763    HB3  LYS 116           1HB      LYS 116   4.063  12.244  -4.427
  764    HG2  LYS 116           2HG      LYS 116   3.731  10.005  -3.272
  765    HG3  LYS 116           1HG      LYS 116   3.214   9.402  -4.847
  766    HD2  LYS 116           2HD      LYS 116   5.808  10.876  -4.575
  767    HD3  LYS 116           1HD      LYS 116   5.716   9.166  -4.131
  768    HE2  LYS 116           2HE      LYS 116   5.720   8.543  -6.273
  769    HE3  LYS 116           1HE      LYS 116   4.432   9.678  -6.676
  770    HZ1  LYS 116           3HZ      LYS 116   7.068   9.830  -7.448
  771    HZ2  LYS 116           1HZ      LYS 116   6.915  11.021  -6.260
  772    HZ3  LYS 116           2HZ      LYS 116   5.897  11.042  -7.614
  773    H    ALA 117           H        ALA 117   2.671  13.543  -2.209
  774    HA   ALA 117           HA       ALA 117   1.449  15.873  -3.380
  775    HB1  ALA 117           1HB      ALA 117   3.240  15.507  -0.978
  776    HB2  ALA 117           2HB      ALA 117   2.603  17.067  -1.489
  777    HB3  ALA 117           3HB      ALA 117   1.498  15.784  -0.993
  778    H    GLU 118           H        GLU 118   2.348  17.106  -4.882
  779    HA   GLU 118           HA       GLU 118   4.694  16.482  -6.211
  780    HB2  GLU 118           2HB      GLU 118   2.804  17.902  -7.079
  781    HB3  GLU 118           1HB      GLU 118   3.421  19.228  -6.102
  782    HG2  GLU 118           2HG      GLU 118   4.893  19.774  -7.658
  783    HG3  GLU 118           1HG      GLU 118   5.529  18.133  -7.706
  Start of MODEL   16
    1    H1   SER   1           1H       SER   1  10.088 -18.733  11.811
    2    H2   SER   1           2H       SER   1  10.137 -19.186  10.179
    3    H3   SER   1           3H       SER   1   9.827 -17.577  10.599
    4    HA   SER   1           HA       SER   1  12.311 -18.779  11.525
    5    HB2  SER   1           2HB      SER   1  12.584 -17.527   8.902
    6    HB3  SER   1           1HB      SER   1  13.225 -19.065   9.484
    7    HG   SER   1           HG       SER   1  11.662 -20.058   8.485
    8    H    LEU   2           H        LEU   2  14.006 -17.034  11.531
    9    HA   LEU   2           HA       LEU   2  12.761 -14.372  11.805
   10    HB2  LEU   2           2HB      LEU   2  14.129 -16.015  13.790
   11    HB3  LEU   2           1HB      LEU   2  14.843 -14.419  13.638
   12    HG   LEU   2           HG       LEU   2  12.181 -13.817  13.770
   13   HD11  LEU   2          1HD1      LEU   2  12.234 -15.590  16.062
   14   HD12  LEU   2          2HD1      LEU   2  10.968 -15.331  14.861
   15   HD13  LEU   2          3HD1      LEU   2  12.270 -16.476  14.538
   16   HD21  LEU   2          3HD2      LEU   2  14.519 -13.545  15.381
   17   HD22  LEU   2          1HD2      LEU   2  13.091 -12.515  15.314
   18   HD23  LEU   2          2HD2      LEU   2  13.138 -13.883  16.422
   19    HA   PRO   3           HA       PRO   3  16.103 -12.958   9.246
   20    HB2  PRO   3           2HB      PRO   3  16.226 -10.362  10.111
   21    HB3  PRO   3           1HB      PRO   3  15.026 -10.968   8.965
   22    HG2  PRO   3           2HG      PRO   3  14.762 -10.474  11.901
   23    HG3  PRO   3           1HG      PRO   3  13.600 -10.160  10.600
   24    HD2  PRO   3           2HD      PRO   3  13.399 -12.297  12.243
   25    HD3  PRO   3           1HD      PRO   3  12.878 -12.343  10.546
   26    H    ALA   4           H        ALA   4  16.159 -12.804  12.689
   27    HA   ALA   4           HA       ALA   4  17.813 -12.996  14.226
   28    HB1  ALA   4           1HB      ALA   4  19.871 -13.743  12.242
   29    HB2  ALA   4           2HB      ALA   4  19.427 -14.512  13.764
   30    HB3  ALA   4           3HB      ALA   4  18.437 -14.764  12.327
   31    H    SER   5           H        SER   5  17.427 -10.452  13.004
   32    HA   SER   5           HA       SER   5  18.287  -8.366  13.132
   33    HB2  SER   5           2HB      SER   5  20.713  -9.679  14.359
   34    HB3  SER   5           1HB      SER   5  20.331  -7.956  14.396
   35    HG   SER   5           HG       SER   5  19.699  -9.019  16.326
   36    H    ALA   6           H        ALA   6  19.323 -10.563  11.012
   37    HA   ALA   6           HA       ALA   6  21.610  -9.275   9.885
   38    HB1  ALA   6           1HB      ALA   6  20.782 -10.617   7.788
   39    HB2  ALA   6           2HB      ALA   6  21.455 -11.472   9.176
   40    HB3  ALA   6           3HB      ALA   6  19.706 -11.387   8.955
   41    H    ALA   7           H        ALA   7  18.313  -9.565   8.564
   42    HA   ALA   7           HA       ALA   7  18.524  -7.027   7.225
   43    HB1  ALA   7           1HB      ALA   7  16.088  -8.754   7.677
   44    HB2  ALA   7           2HB      ALA   7  16.231  -7.419   6.534
   45    HB3  ALA   7           3HB      ALA   7  17.180  -8.887   6.298
   46    H    LYS   8           H        LYS   8  18.043  -5.094   8.101
   47    HA   LYS   8           HA       LYS   8  16.449  -5.015  10.558
   48    HB2  LYS   8           2HB      LYS   8  19.310  -4.463  10.312
   49    HB3  LYS   8           1HB      LYS   8  18.412  -3.161  11.080
   50    HG2  LYS   8           2HG      LYS   8  18.127  -6.011  11.971
   51    HG3  LYS   8           1HG      LYS   8  19.410  -4.963  12.582
   52    HD2  LYS   8           2HD      LYS   8  16.456  -4.372  12.734
   53    HD3  LYS   8           1HD      LYS   8  17.431  -5.013  14.057
   54    HE2  LYS   8           2HE      LYS   8  18.545  -2.606  12.831
   55    HE3  LYS   8           1HE      LYS   8  16.958  -2.356  13.557
   56    HZ1  LYS   8           3HZ      LYS   8  18.646  -3.890  15.261
   57    HZ2  LYS   8           1HZ      LYS   8  17.833  -2.435  15.574
   58    HZ3  LYS   8           2HZ      LYS   8  19.375  -2.415  14.859
   59    H    ASN   9           H        ASN   9  15.568  -4.301   8.065
   60    HA   ASN   9           HA       ASN   9  15.223  -1.420   8.435
   61    HB2  ASN   9           2HB      ASN   9  16.286  -0.907   6.537
   62    HB3  ASN   9           1HB      ASN   9  16.674  -2.604   6.291
   63   HD21  ASN   9          1HD2      ASN   9  15.591  -3.756   4.778
   64   HD22  ASN   9          2HD2      ASN   9  14.439  -3.067   3.692
   65    H    ALA  10           H        ALA  10  13.157  -0.744   8.188
   66    HA   ALA  10           HA       ALA  10  11.232  -2.543   6.920
   67    HB1  ALA  10           1HB      ALA  10   9.668  -2.308   8.787
   68    HB2  ALA  10           2HB      ALA  10  11.164  -3.089   9.295
   69    HB3  ALA  10           3HB      ALA  10  10.878  -1.395   9.686
   70    H    LYS  11           H        LYS  11  12.161  -0.357   5.675
   71    HA   LYS  11           HA       LYS  11   9.944   1.561   5.914
   72    HB2  LYS  11           2HB      LYS  11  12.731   2.077   4.847
   73    HB3  LYS  11           1HB      LYS  11  11.438   3.257   4.978
   74    HG2  LYS  11           2HG      LYS  11  11.576   2.492   7.535
   75    HG3  LYS  11           1HG      LYS  11  13.244   2.185   7.044
   76    HD2  LYS  11           2HD      LYS  11  13.686   4.357   7.177
   77    HD3  LYS  11           1HD      LYS  11  12.440   4.689   5.970
   78    HE2  LYS  11           2HE      LYS  11  10.891   5.266   7.524
   79    HE3  LYS  11           1HE      LYS  11  11.519   4.148   8.731
   80    HZ1  LYS  11           3HZ      LYS  11  13.526   5.873   8.608
   81    HZ2  LYS  11           1HZ      LYS  11  12.218   6.057   9.669
   82    HZ3  LYS  11           2HZ      LYS  11  12.253   6.921   8.210
   83    H    LEU  12           H        LEU  12   9.730   2.764   3.694
   84    HA   LEU  12           HA       LEU  12   9.362   0.798   1.599
   85    HB2  LEU  12           2HB      LEU  12   8.909   3.776   1.813
   86    HB3  LEU  12           1HB      LEU  12   8.763   2.942   0.283
   87    HG   LEU  12           HG       LEU  12   6.651   3.465   1.716
   88   HD11  LEU  12          1HD1      LEU  12   6.654   2.251  -0.384
   89   HD12  LEU  12          2HD1      LEU  12   7.049   0.759   0.474
   90   HD13  LEU  12          3HD1      LEU  12   5.505   1.563   0.769
   91   HD21  LEU  12          3HD2      LEU  12   7.945   1.747   3.501
   92   HD22  LEU  12          1HD2      LEU  12   6.296   2.374   3.599
   93   HD23  LEU  12          2HD2      LEU  12   6.606   0.826   2.813
   94    H    ALA  13           H        ALA  13  11.841   0.449   1.967
   95    HA   ALA  13           HA       ALA  13  14.010   0.611   1.314
   96    HB1  ALA  13           1HB      ALA  13  13.511   0.773  -0.972
   97    HB2  ALA  13           2HB      ALA  13  12.818   2.387  -0.800
   98    HB3  ALA  13           3HB      ALA  13  14.560   2.155  -0.651
   99    H    THR  14           H        THR  14  12.479   3.790   1.173
  100    HA   THR  14           HA       THR  14  14.044   4.708   3.441
  101    HB   THR  14           HB       THR  14  14.173   6.935   1.812
  102    HG1  THR  14           1HG      THR  14  13.913   6.076  -0.130
  103   HG21  THR  14          3HG2      THR  14  16.663   5.785   1.511
  104   HG22  THR  14          1HG2      THR  14  16.034   4.983   2.949
  105   HG23  THR  14          2HG2      THR  14  16.142   6.741   2.899
  106    H    SER  15           H        SER  15  11.552   5.232   1.032
  107    HA   SER  15           HA       SER  15   9.448   6.018   1.120
  108    HB2  SER  15           2HB      SER  15   8.998   6.397   3.936
  109    HB3  SER  15           1HB      SER  15   8.302   5.194   2.856
  110    HG   SER  15           HG       SER  15  10.804   4.988   4.176
  111    H    ALA  16           H        ALA  16  11.653   7.923   1.024
  112    HA   ALA  16           HA       ALA  16  11.015  10.152   2.677
  113    HB1  ALA  16           1HB      ALA  16  12.272  10.491  -0.018
  114    HB2  ALA  16           2HB      ALA  16  12.616  11.332   1.494
  115    HB3  ALA  16           3HB      ALA  16  13.154   9.669   1.268
  116    H    ALA  17           H        ALA  17  10.003   9.101  -0.528
  117    HA   ALA  17           HA       ALA  17   8.250  11.399  -0.843
  118    HB1  ALA  17           1HB      ALA  17   7.649   9.502  -2.810
  119    HB2  ALA  17           2HB      ALA  17   8.650  10.943  -2.983
  120    HB3  ALA  17           3HB      ALA  17   9.396   9.396  -2.570
  121    H    PHE  18           H        PHE  18   8.075   8.022   0.042
  122    HA   PHE  18           HA       PHE  18   5.264   7.743  -0.224
  123    HB2  PHE  18           2HB      PHE  18   6.747   5.806  -0.243
  124    HB3  PHE  18           1HB      PHE  18   7.238   6.139   1.414
  125    HD1  PHE  18           1HD      PHE  18   4.396   5.136  -0.712
  126    HD2  PHE  18           2HD      PHE  18   5.941   5.396   3.242
  127    HE1  PHE  18           1HE      PHE  18   2.530   3.760   0.111
  128    HE2  PHE  18           2HE      PHE  18   4.082   4.019   4.066
  129    HZ   PHE  18           HZ       PHE  18   2.371   3.199   2.498
  130    H    ALA  19           H        ALA  19   7.376   8.462   2.520
  131    HA   ALA  19           HA       ALA  19   5.413   8.323   4.533
  132    HB1  ALA  19           1HB      ALA  19   7.684   8.194   5.174
  133    HB2  ALA  19           2HB      ALA  19   8.056   9.753   4.439
  134    HB3  ALA  19           3HB      ALA  19   7.044   9.677   5.883
  135    H    LYS  20           H        LYS  20   5.418  10.452   2.045
  136    HA   LYS  20           HA       LYS  20   4.659  12.859   3.402
  137    HB2  LYS  20           2HB      LYS  20   5.000  11.960   0.658
  138    HB3  LYS  20           1HB      LYS  20   3.542  12.925   0.843
  139    HG2  LYS  20           2HG      LYS  20   4.923  14.650   0.501
  140    HG3  LYS  20           1HG      LYS  20   5.338  14.431   2.202
  141    HD2  LYS  20           2HD      LYS  20   6.994  12.633   1.024
  142    HD3  LYS  20           1HD      LYS  20   6.916  13.885  -0.219
  143    HE2  LYS  20           2HE      LYS  20   8.587  14.805   0.988
  144    HE3  LYS  20           1HE      LYS  20   7.261  15.414   1.973
  145    HZ1  LYS  20           3HZ      LYS  20   9.279  14.114   3.013
  146    HZ2  LYS  20           1HZ      LYS  20   8.330  12.773   2.612
  147    HZ3  LYS  20           2HZ      LYS  20   7.707  13.960   3.646
  148    H    GLN  21           H        GLN  21   3.283   9.897   3.040
  149    HA   GLN  21           HA       GLN  21   0.516  10.705   2.887
  150    HB2  GLN  21           2HB      GLN  21   1.886   8.365   2.358
  151    HB3  GLN  21           1HB      GLN  21   1.060   8.008   3.873
  152    HG2  GLN  21           2HG      GLN  21  -0.889   7.812   2.853
  153    HG3  GLN  21           1HG      GLN  21  -0.669   9.362   2.038
  154   HE21  GLN  21          1HE2      GLN  21   0.333   5.962   1.843
  155   HE22  GLN  21          2HE2      GLN  21   0.389   5.912   0.123
  156    H    ALA  22           H        ALA  22   2.879  10.624   5.250
  157    HA   ALA  22           HA       ALA  22   0.876  10.496   7.398
  158    HB1  ALA  22           1HB      ALA  22   3.460   9.373   7.181
  159    HB2  ALA  22           2HB      ALA  22   3.545  10.632   8.413
  160    HB3  ALA  22           3HB      ALA  22   2.369   9.327   8.565
  161    H    GLU  23           H        GLU  23   2.160  12.650   5.417
  162    HA   GLU  23           HA       GLU  23   2.480  14.694   7.489
  163    HB2  GLU  23           2HB      GLU  23   3.618  14.811   4.697
  164    HB3  GLU  23           1HB      GLU  23   3.933  15.930   6.015
  165    HG2  GLU  23           2HG      GLU  23   5.292  14.427   7.139
  166    HG3  GLU  23           1HG      GLU  23   4.648  13.037   6.266
  167    H    GLY  24           H        GLY  24   1.956  14.884   3.982
  168    HA2  GLY  24           1HA      GLY  24   0.064  16.999   4.212
  169    HA3  GLY  24           2HA      GLY  24   0.443  16.100   2.746
  170    H    THR  25           H        THR  25  -0.246  13.535   3.522
  171    HA   THR  25           HA       THR  25  -3.133  13.666   3.604
  172    HB   THR  25           HB       THR  25  -1.936  11.012   3.858
  173    HG1  THR  25           1HG      THR  25  -1.096  12.786   1.797
  174   HG21  THR  25          3HG2      THR  25  -3.991  10.776   2.956
  175   HG22  THR  25          1HG2      THR  25  -3.182  11.140   1.431
  176   HG23  THR  25          2HG2      THR  25  -4.006  12.421   2.319
  177    H    THR  26           H        THR  26  -4.367  13.297   5.402
  178    HA   THR  26           HA       THR  26  -3.002  13.075   7.929
  179    HB   THR  26           HB       THR  26  -5.906  12.856   8.041
  180    HG1  THR  26           1HG      THR  26  -4.815  15.188   6.780
  181   HG21  THR  26          3HG2      THR  26  -3.865  14.846   9.039
  182   HG22  THR  26          1HG2      THR  26  -4.644  13.557   9.954
  183   HG23  THR  26          2HG2      THR  26  -5.589  14.941   9.406
  184    H    CYS  27           H        CYS  27  -2.152  11.057   8.069
  185    HA   CYS  27           HA       CYS  27  -4.046   8.906   8.622
  186    HB2  CYS  27           2HB      CYS  27  -1.789   8.749   6.620
  187    HB3  CYS  27           1HB      CYS  27  -2.449   7.310   7.391
  188    H    ASN  28           H        ASN  28  -2.479   6.918   9.366
  189    HA   ASN  28           HA       ASN  28  -0.693   8.120  11.374
  190    HB2  ASN  28           2HB      ASN  28  -2.655   6.998  12.338
  191    HB3  ASN  28           1HB      ASN  28  -2.238   5.513  11.489
  192   HD21  ASN  28          1HD2      ASN  28  -1.657   4.117  12.993
  193   HD22  ASN  28          2HD2      ASN  28  -0.490   4.401  14.243
  194    H    VAL  29           H        VAL  29   1.316   7.082  11.794
  195    HA   VAL  29           HA       VAL  29   2.585   6.086   9.462
  196    HB   VAL  29           HB       VAL  29   3.680   5.921  12.273
  197   HG11  VAL  29          1HG1      VAL  29   5.695   6.552  10.462
  198   HG12  VAL  29          2HG1      VAL  29   5.418   4.994  11.242
  199   HG13  VAL  29          3HG1      VAL  29   4.728   5.317   9.651
  200   HG21  VAL  29          3HG2      VAL  29   4.785   8.157  11.072
  201   HG22  VAL  29          1HG2      VAL  29   3.072   8.253  10.658
  202   HG23  VAL  29          2HG2      VAL  29   3.568   8.146  12.349
  203    H    GLY  30           H        GLY  30   1.704   4.544  12.541
  204    HA2  GLY  30           1HA      GLY  30   2.444   1.926  11.602
  205    HA3  GLY  30           2HA      GLY  30   1.603   2.302  13.100
  206    H    SER  31           H        SER  31   0.258   3.629  10.258
  207    HA   SER  31           HA       SER  31  -1.455   1.378   9.670
  208    HB2  SER  31           2HB      SER  31  -2.882   3.939  10.318
  209    HB3  SER  31           1HB      SER  31  -3.502   2.285  10.318
  210    HG   SER  31           HG       SER  31  -1.869   2.061  12.149
  211    H    ILE  32           H        ILE  32   0.532   2.717   8.203
  212    HA   ILE  32           HA       ILE  32  -0.931   4.413   6.331
  213    HB   ILE  32           HB       ILE  32   1.506   4.802   7.379
  214   HG12  ILE  32          2HG1      ILE  32   1.496   5.718   4.616
  215   HG13  ILE  32          1HG1      ILE  32  -0.056   5.960   5.413
  216   HG21  ILE  32          1HG2      ILE  32   1.964   3.055   5.021
  217   HG22  ILE  32          2HG2      ILE  32   3.087   4.374   5.354
  218   HG23  ILE  32          3HG2      ILE  32   2.813   3.123   6.565
  219   HD11  ILE  32          3HD1      ILE  32   2.570   7.227   5.952
  220   HD12  ILE  32          1HD1      ILE  32   0.951   7.920   5.977
  221   HD13  ILE  32          2HD1      ILE  32   1.508   6.935   7.328
  222    H    ALA  33           H        ALA  33  -1.312   3.831   4.205
  223    HA   ALA  33           HA       ALA  33  -0.316   1.277   3.240
  224    HB1  ALA  33           1HB      ALA  33  -2.283   0.124   3.204
  225    HB2  ALA  33           2HB      ALA  33  -2.509   1.068   4.679
  226    HB3  ALA  33           3HB      ALA  33  -3.270   1.587   3.174
  227    H    CYS  34           H        CYS  34  -1.535   0.765   1.087
  228    HA   CYS  34           HA       CYS  34  -2.048   3.222  -0.448
  229    HB2  CYS  34           2HB      CYS  34  -0.276   0.901  -1.207
  230    HB3  CYS  34           1HB      CYS  34  -0.939   2.006  -2.401
  231    H    CYS  35           H        CYS  35  -3.612   3.008  -2.085
  232    HA   CYS  35           HA       CYS  35  -5.084   0.470  -2.174
  233    HB2  CYS  35           2HB      CYS  35  -5.995   3.052  -1.110
  234    HB3  CYS  35           1HB      CYS  35  -7.083   2.360  -2.303
  235    H    ASN  36           H        ASN  36  -6.661   0.420  -3.986
  236    HA   ASN  36           HA       ASN  36  -6.322   2.370  -6.105
  237    HB2  ASN  36           2HB      ASN  36  -4.443   0.614  -6.339
  238    HB3  ASN  36           1HB      ASN  36  -5.721  -0.503  -6.803
  239   HD21  ASN  36          1HD2      ASN  36  -4.160  -0.438  -8.725
  240   HD22  ASN  36          2HD2      ASN  36  -4.589   0.667  -9.994
  241    H    SER  37           H        SER  37  -7.788   1.979  -7.905
  242    HA   SER  37           HA       SER  37 -10.394   1.448  -7.150
  243    HB2  SER  37           2HB      SER  37  -9.389   1.095  -9.975
  244    HB3  SER  37           1HB      SER  37 -10.945   1.730  -9.437
  245    HG   SER  37           HG       SER  37 -10.089   3.634  -9.378
  246    HA   PRO  38           HA       PRO  38 -10.924  -2.866  -6.795
  247    HB2  PRO  38           2HB      PRO  38 -13.415  -2.564  -8.394
  248    HB3  PRO  38           1HB      PRO  38 -13.185  -3.234  -6.777
  249    HG2  PRO  38           2HG      PRO  38 -14.281  -0.832  -7.122
  250    HG3  PRO  38           1HG      PRO  38 -13.173  -1.149  -5.771
  251    HD2  PRO  38           2HD      PRO  38 -12.680   0.297  -8.337
  252    HD3  PRO  38           1HD      PRO  38 -12.074   0.651  -6.706
  253    H    ALA  39           H        ALA  39 -11.406  -1.492 -10.002
  254    HA   ALA  39           HA       ALA  39 -11.533  -3.944 -11.396
  255    HB1  ALA  39           1HB      ALA  39 -12.415  -1.863 -12.303
  256    HB2  ALA  39           2HB      ALA  39 -10.780  -1.210 -12.426
  257    HB3  ALA  39           3HB      ALA  39 -11.256  -2.598 -13.409
  258    H    GLU  40           H        GLU  40  -8.893  -2.329 -10.008
  259    HA   GLU  40           HA       GLU  40  -6.995  -3.767 -11.741
  260    HB2  GLU  40           2HB      GLU  40  -6.073  -1.748  -9.752
  261    HB3  GLU  40           1HB      GLU  40  -5.400  -2.157 -11.323
  262    HG2  GLU  40           2HG      GLU  40  -7.888  -1.091 -11.910
  263    HG3  GLU  40           1HG      GLU  40  -7.280  -0.091 -10.590
  264    H    THR  41           H        THR  41  -7.653  -2.912  -8.381
  265    HA   THR  41           HA       THR  41  -5.836  -4.560  -7.106
  266    HB   THR  41           HB       THR  41  -8.606  -4.057  -6.043
  267    HG1  THR  41           1HG      THR  41  -8.235  -1.992  -6.242
  268   HG21  THR  41          3HG2      THR  41  -6.419  -5.252  -4.911
  269   HG22  THR  41          1HG2      THR  41  -7.736  -4.489  -4.024
  270   HG23  THR  41          2HG2      THR  41  -6.262  -3.583  -4.360
  271    H    ASN  42           H        ASN  42  -8.985  -5.303  -8.464
  272    HA   ASN  42           HA       ASN  42  -8.838  -8.028  -7.384
  273    HB2  ASN  42           2HB      ASN  42 -10.974  -6.122  -7.861
  274    HB3  ASN  42           1HB      ASN  42 -11.322  -7.704  -8.545
  275   HD21  ASN  42          1HD2      ASN  42 -10.836  -5.871  -5.673
  276   HD22  ASN  42          2HD2      ASN  42 -11.332  -7.100  -4.546
  277    H    ASN  43           H        ASN  43  -7.606  -6.769  -9.930
  278    HA   ASN  43           HA       ASN  43  -8.963  -7.814 -12.175
  279    HB2  ASN  43           2HB      ASN  43  -6.974  -6.077 -11.974
  280    HB3  ASN  43           1HB      ASN  43  -5.991  -7.513 -12.243
  281   HD21  ASN  43          1HD2      ASN  43  -8.334  -5.345 -13.607
  282   HD22  ASN  43          2HD2      ASN  43  -8.175  -5.877 -15.247
  283    H    ASP  44           H        ASP  44  -6.811  -9.267  -9.893
  284    HA   ASP  44           HA       ASP  44  -6.815 -11.742 -11.490
  285    HB2  ASP  44           2HB      ASP  44  -4.559 -10.568 -11.049
  286    HB3  ASP  44           1HB      ASP  44  -4.756 -11.109  -9.383
  287    H    SER  45           H        SER  45  -7.234 -13.678 -10.425
  288    HA   SER  45           HA       SER  45  -8.992 -13.516  -8.197
  289    HB2  SER  45           2HB      SER  45  -8.109 -16.198  -8.605
  290    HB3  SER  45           1HB      SER  45  -9.644 -15.467  -9.084
  291    HG   SER  45           HG       SER  45  -7.642 -16.254 -10.648
  292    H    LEU  46           H        LEU  46  -5.593 -14.078  -8.559
  293    HA   LEU  46           HA       LEU  46  -5.312 -15.043  -5.823
  294    HB2  LEU  46           2HB      LEU  46  -3.940 -16.020  -7.616
  295    HB3  LEU  46           1HB      LEU  46  -3.234 -14.449  -7.933
  296    HG   LEU  46           HG       LEU  46  -2.514 -14.580  -5.416
  297   HD11  LEU  46          1HD1      LEU  46  -3.364 -16.479  -4.519
  298   HD12  LEU  46          2HD1      LEU  46  -3.386 -17.333  -6.061
  299   HD13  LEU  46          3HD1      LEU  46  -1.874 -17.158  -5.171
  300   HD21  LEU  46          3HD2      LEU  46  -0.501 -14.741  -6.338
  301   HD22  LEU  46          1HD2      LEU  46  -0.783 -16.417  -6.804
  302   HD23  LEU  46          2HD2      LEU  46  -1.291 -15.107  -7.872
  303    H    LEU  47           H        LEU  47  -5.133 -12.141  -7.652
  304    HA   LEU  47           HA       LEU  47  -3.405 -10.588  -6.085
  305    HB2  LEU  47           2HB      LEU  47  -5.132 -10.192  -8.285
  306    HB3  LEU  47           1HB      LEU  47  -5.590  -9.005  -7.079
  307    HG   LEU  47           HG       LEU  47  -2.829  -9.367  -8.253
  308   HD11  LEU  47          1HD1      LEU  47  -5.149  -7.762  -8.990
  309   HD12  LEU  47          2HD1      LEU  47  -3.672  -6.816  -8.793
  310   HD13  LEU  47          3HD1      LEU  47  -3.710  -8.171  -9.923
  311   HD21  LEU  47          3HD2      LEU  47  -3.794  -7.953  -5.883
  312   HD22  LEU  47          1HD2      LEU  47  -2.157  -8.422  -6.338
  313   HD23  LEU  47          2HD2      LEU  47  -2.867  -6.945  -6.991
  314    H    SER  48           H        SER  48  -6.915 -11.064  -5.877
  315    HA   SER  48           HA       SER  48  -7.318  -9.266  -3.744
  316    HB2  SER  48           2HB      SER  48  -9.355 -11.133  -3.561
  317    HB3  SER  48           1HB      SER  48  -9.366  -9.689  -4.579
  318    HG   SER  48           HG       SER  48  -9.434 -11.003  -6.201
  319    H    GLY  49           H        GLY  49  -6.461 -12.670  -3.874
  320    HA2  GLY  49           1HA      GLY  49  -6.721 -13.127  -1.047
  321    HA3  GLY  49           2HA      GLY  49  -5.917 -14.181  -2.204
  322    H    LEU  50           H        LEU  50  -4.312 -11.801  -3.118
  323    HA   LEU  50           HA       LEU  50  -2.095 -12.155  -1.339
  324    HB2  LEU  50           2HB      LEU  50  -2.531 -11.183  -3.980
  325    HB3  LEU  50           1HB      LEU  50  -1.717  -9.919  -3.080
  326    HG   LEU  50           HG       LEU  50  -0.004 -11.681  -2.426
  327   HD11  LEU  50          1HD1      LEU  50  -0.824 -13.751  -2.889
  328   HD12  LEU  50          2HD1      LEU  50  -1.709 -13.208  -4.311
  329   HD13  LEU  50          3HD1      LEU  50   0.035 -13.447  -4.398
  330   HD21  LEU  50          3HD2      LEU  50  -0.211  -9.991  -4.610
  331   HD22  LEU  50          1HD2      LEU  50   1.252 -10.780  -4.028
  332   HD23  LEU  50          2HD2      LEU  50   0.296 -11.530  -5.305
  333    H    LEU  51           H        LEU  51  -4.651  -9.888  -1.758
  334    HA   LEU  51           HA       LEU  51  -3.551  -7.688  -0.365
  335    HB2  LEU  51           2HB      LEU  51  -6.153  -8.492  -1.429
  336    HB3  LEU  51           1HB      LEU  51  -6.277  -7.528   0.029
  337    HG   LEU  51           HG       LEU  51  -6.352  -5.886  -1.569
  338   HD11  LEU  51          1HD1      LEU  51  -3.432  -5.811  -1.734
  339   HD12  LEU  51          2HD1      LEU  51  -4.567  -4.616  -1.102
  340   HD13  LEU  51          3HD1      LEU  51  -4.067  -5.975  -0.098
  341   HD21  LEU  51          3HD2      LEU  51  -4.346  -6.334  -3.456
  342   HD22  LEU  51          1HD2      LEU  51  -5.112  -7.901  -3.202
  343   HD23  LEU  51          2HD2      LEU  51  -6.087  -6.510  -3.682
  344    H    GLY  52           H        GLY  52  -5.465 -10.472   0.631
  345    HA2  GLY  52           1HA      GLY  52  -5.459  -9.564   3.400
  346    HA3  GLY  52           2HA      GLY  52  -6.306 -10.967   2.769
  347    H    ALA  53           H        ALA  53  -3.018  -9.742   3.395
  348    HA   ALA  53           HA       ALA  53  -1.855 -12.350   3.352
  349    HB1  ALA  53           1HB      ALA  53  -0.811  -9.879   3.147
  350    HB2  ALA  53           2HB      ALA  53  -0.472 -10.207   4.845
  351    HB3  ALA  53           3HB      ALA  53   0.139 -11.295   3.600
  352    H    GLY  54           H        GLY  54  -3.630 -10.576   5.614
  353    HA2  GLY  54           1HA      GLY  54  -3.146 -12.635   7.644
  354    HA3  GLY  54           2HA      GLY  54  -2.958 -10.942   8.093
  355    H    LEU  55           H        LEU  55  -5.325 -12.596   6.044
  356    HA   LEU  55           HA       LEU  55  -7.595 -12.502   5.966
  357    HB2  LEU  55           2HB      LEU  55  -6.913 -12.884   8.809
  358    HB3  LEU  55           1HB      LEU  55  -8.541 -12.313   8.507
  359    HG   LEU  55           HG       LEU  55  -7.380 -14.779   7.220
  360   HD11  LEU  55          1HD1      LEU  55  -7.530 -14.910   9.714
  361   HD12  LEU  55          2HD1      LEU  55  -9.268 -14.660   9.559
  362   HD13  LEU  55          3HD1      LEU  55  -8.516 -16.090   8.850
  363   HD21  LEU  55          3HD2      LEU  55  -9.407 -15.110   6.249
  364   HD22  LEU  55          1HD2      LEU  55 -10.287 -14.327   7.560
  365   HD23  LEU  55          2HD2      LEU  55  -9.460 -13.351   6.348
  366    H    LEU  56           H        LEU  56  -6.647 -10.161   5.300
  367    HA   LEU  56           HA       LEU  56  -7.702  -8.057   6.997
  368    HB2  LEU  56           2HB      LEU  56  -6.242  -7.935   4.365
  369    HB3  LEU  56           1HB      LEU  56  -6.751  -6.537   5.289
  370    HG   LEU  56           HG       LEU  56  -5.008  -8.566   6.598
  371   HD11  LEU  56          1HD1      LEU  56  -3.693  -8.302   4.723
  372   HD12  LEU  56          2HD1      LEU  56  -4.225  -6.644   4.450
  373   HD13  LEU  56          3HD1      LEU  56  -3.102  -7.004   5.762
  374   HD21  LEU  56          3HD2      LEU  56  -5.425  -7.020   8.176
  375   HD22  LEU  56          1HD2      LEU  56  -4.174  -6.101   7.341
  376   HD23  LEU  56          2HD2      LEU  56  -5.876  -5.788   6.999
  377    H    ASN  57           H        ASN  57  -8.816  -6.225   5.855
  378    HA   ASN  57           HA       ASN  57 -10.836  -7.243   3.970
  379    HB2  ASN  57           2HB      ASN  57 -11.037  -5.565   6.381
  380    HB3  ASN  57           1HB      ASN  57 -11.864  -4.895   4.982
  381   HD21  ASN  57          1HD2      ASN  57 -12.432  -6.526   7.644
  382   HD22  ASN  57          2HD2      ASN  57 -13.720  -7.567   7.142
  383    H    GLY  58           H        GLY  58 -11.791  -5.058   2.868
  384    HA2  GLY  58           1HA      GLY  58  -9.433  -3.852   1.584
  385    HA3  GLY  58           2HA      GLY  58 -11.053  -3.917   0.900
  386    H    LEU  59           H        LEU  59 -11.579  -1.837   0.613
  387    HA   LEU  59           HA       LEU  59 -11.135   0.225   2.514
  388    HB2  LEU  59           2HB      LEU  59 -12.045   0.110  -0.071
  389    HB3  LEU  59           1HB      LEU  59 -13.523   0.444   0.806
  390    HG   LEU  59           HG       LEU  59 -11.200   2.169   1.434
  391   HD11  LEU  59          1HD1      LEU  59 -12.741   2.460  -1.133
  392   HD12  LEU  59          2HD1      LEU  59 -11.502   3.552  -0.514
  393   HD13  LEU  59          3HD1      LEU  59 -11.067   1.917  -1.012
  394   HD21  LEU  59          3HD2      LEU  59 -13.415   2.427   2.491
  395   HD22  LEU  59          1HD2      LEU  59 -12.916   3.858   1.589
  396   HD23  LEU  59          2HD2      LEU  59 -14.106   2.751   0.902
  397    H    SER  60           H        SER  60 -12.778   1.216   3.867
  398    HA   SER  60           HA       SER  60 -14.012  -0.543   5.579
  399    HB2  SER  60           2HB      SER  60 -14.283   1.342   6.769
  400    HB3  SER  60           1HB      SER  60 -13.683   2.243   5.383
  401    HG   SER  60           HG       SER  60 -16.124   1.867   4.750
  402    H    GLY  61           H        GLY  61 -15.458  -2.043   4.973
  403    HA2  GLY  61           1HA      GLY  61 -17.428  -2.977   4.244
  404    HA3  GLY  61           2HA      GLY  61 -18.125  -1.367   4.344
  405    H    ASN  62           H        ASN  62 -15.405  -2.258   2.318
  406    HA   ASN  62           HA       ASN  62 -17.085  -1.798  -0.054
  407    HB2  ASN  62           2HB      ASN  62 -15.700   0.171   0.488
  408    HB3  ASN  62           1HB      ASN  62 -14.262  -0.834   0.431
  409   HD21  ASN  62          1HD2      ASN  62 -15.946   1.376  -1.178
  410   HD22  ASN  62          2HD2      ASN  62 -15.454   1.019  -2.790
  411    H    THR  63           H        THR  63 -17.260  -3.858  -0.774
  412    HA   THR  63           HA       THR  63 -14.988  -5.634  -0.838
  413    HB   THR  63           HB       THR  63 -17.190  -6.534  -2.461
  414    HG1  THR  63           1HG      THR  63 -18.857  -5.940  -1.298
  415   HG21  THR  63          3HG2      THR  63 -15.469  -7.898  -1.221
  416   HG22  THR  63          1HG2      THR  63 -17.139  -8.421  -0.996
  417   HG23  THR  63          2HG2      THR  63 -16.329  -7.495   0.268
  418    H    GLY  64           H        GLY  64 -13.642  -4.200  -2.160
  419    HA2  GLY  64           1HA      GLY  64 -13.471  -5.081  -4.815
  420    HA3  GLY  64           2HA      GLY  64 -14.268  -3.513  -4.817
  421    H    SER  65           H        SER  65 -13.045  -1.996  -3.097
  422    HA   SER  65           HA       SER  65 -10.315  -1.825  -4.083
  423    HB2  SER  65           2HB      SER  65 -12.162   0.019  -2.603
  424    HB3  SER  65           1HB      SER  65 -10.422   0.304  -2.538
  425    HG   SER  65           HG       SER  65 -10.383   0.551  -4.741
  426    H    ALA  66           H        ALA  66  -8.566  -2.424  -2.920
  427    HA   ALA  66           HA       ALA  66  -8.916  -2.886  -0.040
  428    HB1  ALA  66           1HB      ALA  66  -8.929  -5.087  -0.556
  429    HB2  ALA  66           2HB      ALA  66  -8.140  -4.835  -2.111
  430    HB3  ALA  66           3HB      ALA  66  -7.182  -4.855  -0.634
  431    H    CYS  67           H        CYS  67  -6.918  -2.837   1.174
  432    HA   CYS  67           HA       CYS  67  -4.937  -1.091  -0.138
  433    HB2  CYS  67           2HB      CYS  67  -6.490  -0.764   2.311
  434    HB3  CYS  67           1HB      CYS  67  -4.764  -0.547   2.568
  435    H    ALA  68           H        ALA  68  -2.855  -1.571   0.064
  436    HA   ALA  68           HA       ALA  68  -2.142  -3.908   1.701
  437    HB1  ALA  68           1HB      ALA  68  -0.239  -4.207   0.251
  438    HB2  ALA  68           2HB      ALA  68  -1.691  -4.053  -0.735
  439    HB3  ALA  68           3HB      ALA  68  -0.586  -2.690  -0.577
  440    H    LYS  69           H        LYS  69  -0.346  -3.823   3.061
  441    HA   LYS  69           HA       LYS  69   0.414  -1.110   3.891
  442    HB2  LYS  69           2HB      LYS  69   0.080  -3.718   5.294
  443    HB3  LYS  69           1HB      LYS  69   1.327  -2.638   5.896
  444    HG2  LYS  69           2HG      LYS  69  -0.583  -2.182   7.175
  445    HG3  LYS  69           1HG      LYS  69  -0.454  -0.853   6.023
  446    HD2  LYS  69           2HD      LYS  69  -2.769  -1.693   6.282
  447    HD3  LYS  69           1HD      LYS  69  -2.167  -1.831   4.631
  448    HE2  LYS  69           2HE      LYS  69  -2.032  -4.131   4.735
  449    HE3  LYS  69           1HE      LYS  69  -1.861  -4.144   6.489
  450    HZ1  LYS  69           3HZ      LYS  69  -4.371  -3.411   5.084
  451    HZ2  LYS  69           1HZ      LYS  69  -4.161  -3.666   6.747
  452    HZ3  LYS  69           2HZ      LYS  69  -4.030  -4.962   5.664
  453    H    ALA  70           H        ALA  70   2.722  -0.970   4.778
  454    HA   ALA  70           HA       ALA  70   4.554  -1.635   2.772
  455    HB1  ALA  70           1HB      ALA  70   4.777  -0.574   5.534
  456    HB2  ALA  70           2HB      ALA  70   6.240  -1.170   4.747
  457    HB3  ALA  70           3HB      ALA  70   5.303   0.127   4.004
  458    H    SER  71           H        SER  71   3.708  -3.258   5.776
  459    HA   SER  71           HA       SER  71   5.702  -5.233   5.760
  460    HB2  SER  71           2HB      SER  71   3.429  -6.411   6.864
  461    HB3  SER  71           1HB      SER  71   4.657  -5.493   7.738
  462    HG   SER  71           HG       SER  71   2.455  -4.724   8.011
  463    H    LEU  72           H        LEU  72   2.785  -4.840   3.939
  464    HA   LEU  72           HA       LEU  72   2.609  -7.591   3.078
  465    HB2  LEU  72           2HB      LEU  72   1.012  -5.160   2.859
  466    HB3  LEU  72           1HB      LEU  72   1.033  -6.100   1.380
  467    HG   LEU  72           HG       LEU  72   0.298  -8.091   2.711
  468   HD11  LEU  72          1HD1      LEU  72  -0.648  -7.714   4.920
  469   HD12  LEU  72          2HD1      LEU  72   1.073  -7.336   4.898
  470   HD13  LEU  72          3HD1      LEU  72  -0.117  -6.034   4.877
  471   HD21  LEU  72          3HD2      LEU  72  -1.969  -7.510   2.665
  472   HD22  LEU  72          1HD2      LEU  72  -1.633  -5.810   2.999
  473   HD23  LEU  72          2HD2      LEU  72  -1.218  -6.501   1.431
  474    H    ILE  73           H        ILE  73   4.059  -4.642   2.015
  475    HA   ILE  73           HA       ILE  73   4.308  -5.197  -0.728
  476    HB   ILE  73           HB       ILE  73   5.507  -3.273   1.163
  477   HG12  ILE  73          2HG1      ILE  73   5.170  -2.160  -1.392
  478   HG13  ILE  73          1HG1      ILE  73   3.857  -3.316  -1.208
  479   HG21  ILE  73          1HG2      ILE  73   6.980  -2.798  -1.166
  480   HG22  ILE  73          2HG2      ILE  73   7.597  -3.303   0.405
  481   HG23  ILE  73          3HG2      ILE  73   7.194  -4.512  -0.814
  482   HD11  ILE  73          3HD1      ILE  73   4.498  -1.038   0.656
  483   HD12  ILE  73          1HD1      ILE  73   3.158  -1.111  -0.488
  484   HD13  ILE  73          2HD1      ILE  73   3.204  -2.209   0.889
  485    H    ASP  74           H        ASP  74   6.283  -6.028   2.054
  486    HA   ASP  74           HA       ASP  74   8.087  -7.578   0.342
  487    HB2  ASP  74           2HB      ASP  74   8.722  -5.972   2.411
  488    HB3  ASP  74           1HB      ASP  74   8.530  -7.496   3.273
  489    H    GLN  75           H        GLN  75   5.217  -8.070   1.653
  490    HA   GLN  75           HA       GLN  75   5.752 -10.690   2.837
  491    HB2  GLN  75           2HB      GLN  75   3.935  -8.734   3.484
  492    HB3  GLN  75           1HB      GLN  75   2.952  -9.865   2.566
  493    HG2  GLN  75           2HG      GLN  75   3.041 -10.187   5.068
  494    HG3  GLN  75           1HG      GLN  75   3.348 -11.603   4.066
  495   HE21  GLN  75          1HE2      GLN  75   5.399  -8.892   5.054
  496   HE22  GLN  75          2HE2      GLN  75   6.630  -9.874   5.766
  497    H    LEU  76           H        LEU  76   3.680  -9.265   0.334
  498    HA   LEU  76           HA       LEU  76   3.600 -11.914  -0.948
  499    HB2  LEU  76           2HB      LEU  76   1.426 -10.123  -0.132
  500    HB3  LEU  76           1HB      LEU  76   1.294 -10.701  -1.781
  501    HG   LEU  76           HG       LEU  76   0.048 -12.247  -0.570
  502   HD11  LEU  76          1HD1      LEU  76   2.586 -13.766  -0.313
  503   HD12  LEU  76          2HD1      LEU  76   1.053 -14.228  -1.049
  504   HD13  LEU  76          3HD1      LEU  76   2.154 -13.160  -1.912
  505   HD21  LEU  76          3HD2      LEU  76   2.229 -12.387   1.511
  506   HD22  LEU  76          1HD2      LEU  76   0.768 -11.410   1.651
  507   HD23  LEU  76          2HD2      LEU  76   0.646 -13.167   1.569
  508    H    GLY  77           H        GLY  77   3.764  -8.446  -1.332
  509    HA2  GLY  77           1HA      GLY  77   4.874  -7.361  -3.094
  510    HA3  GLY  77           2HA      GLY  77   4.838  -8.860  -4.011
  511    H    LEU  78           H        LEU  78   2.329  -6.852  -2.505
  512    HA   LEU  78           HA       LEU  78   0.360  -7.325  -4.417
  513    HB2  LEU  78           2HB      LEU  78   0.817  -5.215  -2.350
  514    HB3  LEU  78           1HB      LEU  78  -0.486  -5.002  -3.504
  515    HG   LEU  78           HG       LEU  78  -1.414  -5.967  -1.541
  516   HD11  LEU  78          1HD1      LEU  78  -2.631  -7.002  -3.135
  517   HD12  LEU  78          2HD1      LEU  78  -1.208  -7.636  -3.962
  518   HD13  LEU  78          3HD1      LEU  78  -1.818  -8.438  -2.518
  519   HD21  LEU  78          3HD2      LEU  78   0.936  -7.798  -1.701
  520   HD22  LEU  78          1HD2      LEU  78   0.343  -6.854  -0.334
  521   HD23  LEU  78          2HD2      LEU  78  -0.528  -8.298  -0.854
  522    H    LEU  79           H        LEU  79   0.455  -6.842  -6.519
  523    HA   LEU  79           HA       LEU  79   2.024  -4.534  -7.386
  524    HB2  LEU  79           2HB      LEU  79   1.506  -5.575  -9.695
  525    HB3  LEU  79           1HB      LEU  79   2.651  -6.380  -8.639
  526    HG   LEU  79           HG       LEU  79   0.039  -7.420  -8.111
  527   HD11  LEU  79          1HD1      LEU  79   0.834  -7.699 -10.998
  528   HD12  LEU  79          2HD1      LEU  79  -0.625  -8.299 -10.207
  529   HD13  LEU  79          3HD1      LEU  79  -0.395  -6.565 -10.434
  530   HD21  LEU  79          3HD2      LEU  79   1.185  -9.511  -9.034
  531   HD22  LEU  79          1HD2      LEU  79   2.617  -8.495  -9.193
  532   HD23  LEU  79          2HD2      LEU  79   1.888  -8.747  -7.608
  533    H    ALA  80           H        ALA  80  -0.982  -4.832  -6.363
  534    HA   ALA  80           HA       ALA  80  -2.384  -3.678  -8.634
  535    HB1  ALA  80           1HB      ALA  80  -3.253  -5.444  -6.883
  536    HB2  ALA  80           2HB      ALA  80  -3.691  -3.991  -5.983
  537    HB3  ALA  80           3HB      ALA  80  -4.339  -4.253  -7.603
  538    H    LEU  81           H        LEU  81  -1.298  -2.693  -5.409
  539    HA   LEU  81           HA       LEU  81  -2.665  -0.123  -5.755
  540    HB2  LEU  81           2HB      LEU  81  -1.319  -1.216  -3.286
  541    HB3  LEU  81           1HB      LEU  81  -2.265   0.251  -3.383
  542    HG   LEU  81           HG       LEU  81  -3.909  -1.014  -2.548
  543   HD11  LEU  81          1HD1      LEU  81  -4.886  -2.648  -4.457
  544   HD12  LEU  81          2HD1      LEU  81  -5.195  -0.913  -4.383
  545   HD13  LEU  81          3HD1      LEU  81  -3.928  -1.536  -5.438
  546   HD21  LEU  81          3HD2      LEU  81  -3.563  -3.661  -3.402
  547   HD22  LEU  81          1HD2      LEU  81  -1.970  -3.042  -2.962
  548   HD23  LEU  81          2HD2      LEU  81  -3.297  -2.979  -1.799
  549    H    VAL  82           H        VAL  82   0.316  -1.354  -6.397
  550    HA   VAL  82           HA       VAL  82   1.708   1.081  -5.515
  551    HB   VAL  82           HB       VAL  82   3.133  -1.435  -6.344
  552   HG11  VAL  82          1HG1      VAL  82   3.983   1.107  -5.602
  553   HG12  VAL  82          2HG1      VAL  82   4.264   0.110  -4.176
  554   HG13  VAL  82          3HG1      VAL  82   4.976  -0.345  -5.723
  555   HG21  VAL  82          3HG2      VAL  82   2.315  -2.541  -4.598
  556   HG22  VAL  82          1HG2      VAL  82   3.136  -1.377  -3.556
  557   HG23  VAL  82          2HG2      VAL  82   1.454  -1.112  -4.021
  558    H    ASP  83           H        ASP  83   2.766   2.333  -6.920
  559    HA   ASP  83           HA       ASP  83   2.719   1.506  -9.747
  560    HB2  ASP  83           2HB      ASP  83   1.150   3.426  -9.005
  561    HB3  ASP  83           1HB      ASP  83   2.617   4.389  -8.893
  562    H    HIS  84           H        HIS  84   4.235   2.973 -11.040
  563    HA   HIS  84           HA       HIS  84   6.875   2.378 -10.329
  564    HB2  HIS  84           2HB      HIS  84   7.527   3.662 -12.278
  565    HB3  HIS  84           1HB      HIS  84   6.091   2.725 -12.661
  566    HD1  HIS  84           1HD      HIS  84   7.309   6.233 -12.270
  567    HD2  HIS  84           2HD      HIS  84   3.773   4.248 -13.166
  568    HE1  HIS  84           1HE      HIS  84   5.734   8.006 -13.090
  569    HE2  HIS  84           2HE      HIS  84   3.649   6.762 -13.774
  570    H    THR  85           H        THR  85   8.529   3.568  -9.473
  571    HA   THR  85           HA       THR  85   7.984   6.287  -8.566
  572    HB   THR  85           HB       THR  85   7.271   4.930  -6.706
  573    HG1  THR  85           1HG      THR  85   8.663   5.743  -5.125
  574   HG21  THR  85          3HG2      THR  85   9.418   3.248  -7.557
  575   HG22  THR  85          1HG2      THR  85   8.130   2.904  -6.402
  576   HG23  THR  85          2HG2      THR  85   9.634   3.641  -5.851
  577    H    GLU  86           H        GLU  86   9.915   7.399  -7.830
  578    HA   GLU  86           HA       GLU  86  12.398   6.240  -8.904
  579    HB2  GLU  86           2HB      GLU  86  11.201   8.922  -9.115
  580    HB3  GLU  86           1HB      GLU  86  12.914   8.913  -8.725
  581    HG2  GLU  86           2HG      GLU  86  11.801   7.339 -11.016
  582    HG3  GLU  86           1HG      GLU  86  12.281   9.027 -11.179
  583    H    GLU  87           H        GLU  87  10.971   6.261  -6.198
  584    HA   GLU  87           HA       GLU  87  13.395   6.831  -4.654
  585    HB2  GLU  87           2HB      GLU  87  11.608   8.726  -4.557
  586    HB3  GLU  87           1HB      GLU  87  10.698   7.596  -3.566
  587    HG2  GLU  87           2HG      GLU  87  13.508   8.055  -2.781
  588    HG3  GLU  87           1HG      GLU  87  12.393   9.404  -2.566
  589    H    GLY  88           H        GLY  88  10.336   6.201  -3.196
  590    HA2  GLY  88           1HA      GLY  88  11.028   3.344  -2.899
  591    HA3  GLY  88           2HA      GLY  88  10.306   4.291  -1.597
  592    HA   PRO  89           HA       PRO  89   7.244   2.114  -4.702
  593    HB2  PRO  89           2HB      PRO  89   6.448   0.786  -2.153
  594    HB3  PRO  89           1HB      PRO  89   6.551   0.120  -3.785
  595    HG2  PRO  89           2HG      PRO  89   8.415  -0.456  -1.978
  596    HG3  PRO  89           1HG      PRO  89   8.849  -0.168  -3.675
  597    HD2  PRO  89           2HD      PRO  89   9.162   1.621  -1.302
  598    HD3  PRO  89           1HD      PRO  89  10.235   1.408  -2.699
  599    H    VAL  90           H        VAL  90   5.398   3.240  -5.059
  600    HA   VAL  90           HA       VAL  90   4.192   4.602  -2.742
  601    HB   VAL  90           HB       VAL  90   3.702   6.536  -4.223
  602   HG11  VAL  90          1HG1      VAL  90   6.627   6.339  -4.467
  603   HG12  VAL  90          2HG1      VAL  90   5.630   7.543  -3.646
  604   HG13  VAL  90          3HG1      VAL  90   5.982   6.002  -2.858
  605   HG21  VAL  90          3HG2      VAL  90   5.737   5.767  -6.202
  606   HG22  VAL  90          1HG2      VAL  90   4.228   4.860  -6.288
  607   HG23  VAL  90          2HG2      VAL  90   4.208   6.618  -6.418
  608    H    CYS  91           H        CYS  91   1.912   5.195  -3.028
  609    HA   CYS  91           HA       CYS  91   0.389   3.079  -4.113
  610    HB2  CYS  91           2HB      CYS  91  -0.820   5.757  -3.550
  611    HB3  CYS  91           1HB      CYS  91  -1.470   4.155  -3.229
  612    H    LYS  92           H        LYS  92  -0.880   2.938  -5.871
  613    HA   LYS  92           HA       LYS  92   0.036   4.300  -8.203
  614    HB2  LYS  92           2HB      LYS  92  -0.707   1.869  -7.977
  615    HB3  LYS  92           1HB      LYS  92  -2.354   2.481  -7.988
  616    HG2  LYS  92           2HG      LYS  92  -2.345   2.509 -10.200
  617    HG3  LYS  92           1HG      LYS  92  -0.966   3.610 -10.197
  618    HD2  LYS  92           2HD      LYS  92   0.582   1.856 -10.277
  619    HD3  LYS  92           1HD      LYS  92  -0.619   0.655  -9.798
  620    HE2  LYS  92           2HE      LYS  92  -0.458   0.243 -12.057
  621    HE3  LYS  92           1HE      LYS  92  -1.782   1.404 -12.035
  622    HZ1  LYS  92           3HZ      LYS  92   0.938   2.455 -12.267
  623    HZ2  LYS  92           1HZ      LYS  92  -0.505   3.011 -12.968
  624    HZ3  LYS  92           2HZ      LYS  92   0.291   1.664 -13.620
  625    H    ASN  93           H        ASN  93  -2.843   4.463  -6.200
  626    HA   ASN  93           HA       ASN  93  -3.794   6.740  -7.746
  627    HB2  ASN  93           2HB      ASN  93  -5.047   4.061  -7.732
  628    HB3  ASN  93           1HB      ASN  93  -6.142   5.422  -7.541
  629   HD21  ASN  93          1HD2      ASN  93  -5.192   3.389  -9.725
  630   HD22  ASN  93          2HD2      ASN  93  -5.111   4.384 -11.141
  631    H    ILE  94           H        ILE  94  -5.203   4.521  -5.330
  632    HA   ILE  94           HA       ILE  94  -6.390   6.836  -4.047
  633    HB   ILE  94           HB       ILE  94  -6.746   3.899  -3.443
  634   HG12  ILE  94          2HG1      ILE  94  -8.569   5.815  -4.913
  635   HG13  ILE  94          1HG1      ILE  94  -7.534   4.623  -5.692
  636   HG21  ILE  94          1HG2      ILE  94  -7.268   5.943  -1.744
  637   HG22  ILE  94          2HG2      ILE  94  -8.801   5.830  -2.610
  638   HG23  ILE  94          3HG2      ILE  94  -8.155   4.422  -1.771
  639   HD11  ILE  94          3HD1      ILE  94  -9.453   3.678  -3.636
  640   HD12  ILE  94          1HD1      ILE  94 -10.075   4.157  -5.215
  641   HD13  ILE  94          2HD1      ILE  94  -8.866   2.878  -5.095
  642    H    VAL  95           H        VAL  95  -5.612   7.781  -2.333
  643    HA   VAL  95           HA       VAL  95  -3.545   6.506  -0.732
  644    HB   VAL  95           HB       VAL  95  -3.336   8.708   0.391
  645   HG11  VAL  95          1HG1      VAL  95  -1.894   9.330  -1.185
  646   HG12  VAL  95          2HG1      VAL  95  -2.543   8.015  -2.168
  647   HG13  VAL  95          3HG1      VAL  95  -3.188   9.646  -2.343
  648   HG21  VAL  95          3HG2      VAL  95  -4.681  10.425  -1.375
  649   HG22  VAL  95          1HG2      VAL  95  -5.858   9.199  -0.901
  650   HG23  VAL  95          2HG2      VAL  95  -5.031  10.154   0.330
  651    H    ALA  96           H        ALA  96  -3.932   5.668   1.241
  652    HA   ALA  96           HA       ALA  96  -6.302   6.379   2.735
  653    HB1  ALA  96           1HB      ALA  96  -7.580   4.579   2.343
  654    HB2  ALA  96           2HB      ALA  96  -6.607   4.396   0.882
  655    HB3  ALA  96           3HB      ALA  96  -6.199   3.480   2.333
  656    H    CYS  97           H        CYS  97  -6.310   5.495   4.876
  657    HA   CYS  97           HA       CYS  97  -3.696   4.458   5.717
  658    HB2  CYS  97           2HB      CYS  97  -5.440   5.196   7.901
  659    HB3  CYS  97           1HB      CYS  97  -3.819   5.770   7.523
  660    H    CYS  98           H        CYS  98  -3.537   2.476   6.638
  661    HA   CYS  98           HA       CYS  98  -5.980   0.956   7.162
  662    HB2  CYS  98           2HB      CYS  98  -5.379   0.730   4.729
  663    HB3  CYS  98           1HB      CYS  98  -3.863  -0.005   5.230
  664    HA   PRO  99           HA       PRO  99  -3.141  -0.767  10.152
  665    HB2  PRO  99           2HB      PRO  99  -4.874  -2.242  11.521
  666    HB3  PRO  99           1HB      PRO  99  -4.991  -0.478  11.544
  667    HG2  PRO  99           2HG      PRO  99  -6.581  -2.454   9.953
  668    HG3  PRO  99           1HG      PRO  99  -7.143  -1.027  10.844
  669    HD2  PRO  99           2HD      PRO  99  -6.661  -1.076   8.128
  670    HD3  PRO  99           1HD      PRO  99  -6.639   0.394   9.121
  671    H    GLU 100           H        GLU 100  -2.137  -2.798  10.555
  672    HA   GLU 100           HA       GLU 100  -2.733  -4.871   8.575
  673    HB2  GLU 100           2HB      GLU 100  -0.326  -3.774   9.266
  674    HB3  GLU 100           1HB      GLU 100  -0.353  -5.204  10.292
  675    HG2  GLU 100           2HG      GLU 100  -0.526  -5.086   7.290
  676    HG3  GLU 100           1HG      GLU 100   0.758  -5.784   8.277
  677    H    GLY 101           H        GLY 101  -3.690  -6.694   9.157
  678    HA2  GLY 101           1HA      GLY 101  -3.868  -8.603  10.549
  679    HA3  GLY 101           2HA      GLY 101  -3.405  -7.605  11.915
  680    H    THR 102           H        THR 102  -5.613  -5.735  10.392
  681    HA   THR 102           HA       THR 102  -7.898  -7.006  11.689
  682    HB   THR 102           HB       THR 102  -8.081  -4.420  12.668
  683    HG1  THR 102           1HG      THR 102  -5.422  -5.208  12.427
  684   HG21  THR 102          3HG2      THR 102  -7.656  -5.496  14.850
  685   HG22  THR 102          1HG2      THR 102  -7.063  -6.927  14.003
  686   HG23  THR 102          2HG2      THR 102  -8.751  -6.440  13.840
  687    H    THR 103           H        THR 103  -9.494  -6.911  10.367
  688    HA   THR 103           HA       THR 103 -11.040  -6.195   8.859
  689    HB   THR 103           HB       THR 103 -11.151  -3.529  10.124
  690    HG1  THR 103           1HG      THR 103 -12.099  -5.376  11.865
  691   HG21  THR 103          3HG2      THR 103 -12.955  -4.550   8.704
  692   HG22  THR 103          1HG2      THR 103 -13.487  -4.046  10.309
  693   HG23  THR 103          2HG2      THR 103 -13.193  -5.753   9.973
  694    H    ASN 104           H        ASN 104 -11.141  -2.982   8.724
  695    HA   ASN 104           HA       ASN 104 -10.033  -3.179   6.005
  696    HB2  ASN 104           2HB      ASN 104 -11.881  -1.473   5.466
  697    HB3  ASN 104           1HB      ASN 104 -12.353  -3.144   5.726
  698   HD21  ASN 104          1HD2      ASN 104 -11.528  -0.803   8.243
  699   HD22  ASN 104          2HD2      ASN 104 -13.103  -0.767   8.950
  700    H    CYS 105           H        CYS 105 -10.103  -0.857   4.994
  701    HA   CYS 105           HA       CYS 105  -8.456   0.845   6.747
  702    HB2  CYS 105           2HB      CYS 105  -8.129   0.983   3.802
  703    HB3  CYS 105           1HB      CYS 105  -6.916   1.048   5.076
  704    H    VAL 106           H        VAL 106  -8.547   3.128   6.351
  705    HA   VAL 106           HA       VAL 106 -11.122   3.963   5.225
  706    HB   VAL 106           HB       VAL 106 -11.160   5.811   6.663
  707   HG11  VAL 106          1HG1      VAL 106  -9.753   3.714   8.299
  708   HG12  VAL 106          2HG1      VAL 106 -10.901   4.928   8.870
  709   HG13  VAL 106          3HG1      VAL 106 -11.447   3.625   7.811
  710   HG21  VAL 106          3HG2      VAL 106  -8.664   6.334   6.159
  711   HG22  VAL 106          1HG2      VAL 106  -9.377   6.872   7.681
  712   HG23  VAL 106          2HG2      VAL 106  -8.362   5.428   7.644
  713    H    ALA 107           H        ALA 107 -11.256   5.504   3.649
  714    HA   ALA 107           HA       ALA 107  -8.697   6.058   2.296
  715    HB1  ALA 107           1HB      ALA 107 -11.433   5.473   1.323
  716    HB2  ALA 107           2HB      ALA 107 -10.458   6.602   0.380
  717    HB3  ALA 107           3HB      ALA 107  -9.867   4.969   0.687
  718    H    VAL 108           H        VAL 108  -8.152   8.111   1.632
  719    HA   VAL 108           HA       VAL 108  -9.897  10.274   2.622
  720    HB   VAL 108           HB       VAL 108  -7.548  11.505   2.782
  721   HG11  VAL 108          1HG1      VAL 108  -8.893  11.516   4.676
  722   HG12  VAL 108          2HG1      VAL 108  -8.928   9.754   4.782
  723   HG13  VAL 108          3HG1      VAL 108  -7.461  10.636   5.215
  724   HG21  VAL 108          3HG2      VAL 108  -6.764   8.855   2.273
  725   HG22  VAL 108          1HG2      VAL 108  -5.743  10.217   2.738
  726   HG23  VAL 108          2HG2      VAL 108  -6.418   9.160   3.976
  727    H    ASP 109           H        ASP 109  -9.459   9.002  -0.075
  728    HA   ASP 109           HA       ASP 109  -8.249  11.161  -1.609
  729    HB2  ASP 109           2HB      ASP 109  -8.458   9.688  -3.516
  730    HB3  ASP 109           1HB      ASP 109  -7.782   8.778  -2.168
  731    H    ASN 110           H        ASN 110 -10.870  11.351  -0.129
  732    HA   ASN 110           HA       ASN 110 -12.911  11.526  -2.140
  733    HB2  ASN 110           2HB      ASN 110 -14.152  12.720  -0.194
  734    HB3  ASN 110           1HB      ASN 110 -13.799  11.004  -0.050
  735   HD21  ASN 110          1HD2      ASN 110 -12.704  10.316   1.663
  736   HD22  ASN 110          2HD2      ASN 110 -11.920  11.339   2.821
  737    H    ALA 111           H        ALA 111 -10.347  13.458  -1.401
  738    HA   ALA 111           HA       ALA 111 -11.623  15.771  -2.671
  739    HB1  ALA 111           1HB      ALA 111  -9.569  16.427  -0.672
  740    HB2  ALA 111           2HB      ALA 111 -11.090  17.235  -1.044
  741    HB3  ALA 111           3HB      ALA 111 -11.082  15.801  -0.019
  742    H    GLY 112           H        GLY 112  -9.854  17.362  -3.411
  743    HA2  GLY 112           1HA      GLY 112  -7.908  15.832  -4.923
  744    HA3  GLY 112           2HA      GLY 112  -8.236  17.552  -5.076
  745    H    ALA 113           H        ALA 113  -6.982  15.298  -2.628
  746    HA   ALA 113           HA       ALA 113  -4.686  17.076  -2.239
  747    HB1  ALA 113           1HB      ALA 113  -4.924  17.119   0.139
  748    HB2  ALA 113           2HB      ALA 113  -6.457  17.636  -0.565
  749    HB3  ALA 113           3HB      ALA 113  -6.289  16.002   0.074
  750    H    GLY 114           H        GLY 114  -3.347  15.555  -3.196
  751    HA2  GLY 114           1HA      GLY 114  -2.861  13.178  -1.525
  752    HA3  GLY 114           2HA      GLY 114  -2.904  13.046  -3.279
  753    H    THR 115           H        THR 115  -0.872  13.306  -0.690
  754    HA   THR 115           HA       THR 115   1.080  15.075  -1.890
  755    HB   THR 115           HB       THR 115   2.296  13.830   0.272
  756    HG1  THR 115           1HG      THR 115   0.794  13.343   1.706
  757   HG21  THR 115          3HG2      THR 115   0.748  16.406   0.017
  758   HG22  THR 115          1HG2      THR 115   2.492  16.165  -0.096
  759   HG23  THR 115          2HG2      THR 115   1.677  15.986   1.457
  760    H    LYS 116           H        LYS 116   0.849  13.279  -3.711
  761    HA   LYS 116           HA       LYS 116   3.450  12.254  -4.008
  762    HB2  LYS 116           2HB      LYS 116   1.478  10.397  -2.885
  763    HB3  LYS 116           1HB      LYS 116   2.249   9.800  -4.349
  764    HG2  LYS 116           2HG      LYS 116   4.461  10.314  -3.275
  765    HG3  LYS 116           1HG      LYS 116   3.572  10.641  -1.785
  766    HD2  LYS 116           2HD      LYS 116   3.168   8.051  -3.222
  767    HD3  LYS 116           1HD      LYS 116   4.596   8.278  -2.211
  768    HE2  LYS 116           2HE      LYS 116   1.848   7.763  -1.451
  769    HE3  LYS 116           1HE      LYS 116   3.326   7.625  -0.501
  770    HZ1  LYS 116           3HZ      LYS 116   2.843   9.499   0.547
  771    HZ2  LYS 116           1HZ      LYS 116   1.337   9.518  -0.234
  772    HZ3  LYS 116           2HZ      LYS 116   2.651  10.352  -0.904
  773    H    ALA 117           H        ALA 117   1.303  13.792  -5.324
  774    HA   ALA 117           HA       ALA 117   0.496  12.164  -7.579
  775    HB1  ALA 117           1HB      ALA 117   0.059  15.112  -7.486
  776    HB2  ALA 117           2HB      ALA 117  -0.986  13.837  -8.111
  777    HB3  ALA 117           3HB      ALA 117  -0.836  14.080  -6.372
  778    H    GLU 118           H        GLU 118   2.696  11.722  -8.221
  779    HA   GLU 118           HA       GLU 118   4.300  11.871  -9.819
  780    HB2  GLU 118           2HB      GLU 118   2.631  14.243 -10.547
  781    HB3  GLU 118           1HB      GLU 118   4.214  14.052 -11.289
  782    HG2  GLU 118           2HG      GLU 118   3.288  11.609 -11.733
  783    HG3  GLU 118           1HG      GLU 118   1.745  12.457 -11.627
  Start of MODEL   17
    1    H1   SER   1           1H       SER   1  20.355  -5.641   6.332
    2    H2   SER   1           2H       SER   1  19.533  -4.914   5.040
    3    H3   SER   1           3H       SER   1  20.650  -4.014   5.948
    4    HA   SER   1           HA       SER   1  21.077  -5.761   3.729
    5    HB2  SER   1           2HB      SER   1  23.368  -4.273   4.735
    6    HB3  SER   1           1HB      SER   1  22.510  -4.108   3.203
    7    HG   SER   1           HG       SER   1  21.961  -2.257   4.083
    8    H    LEU   2           H        LEU   2  22.764  -5.305   6.849
    9    HA   LEU   2           HA       LEU   2  23.814  -8.040   6.554
   10    HB2  LEU   2           2HB      LEU   2  25.193  -6.606   8.597
   11    HB3  LEU   2           1HB      LEU   2  25.829  -7.268   7.104
   12    HG   LEU   2           HG       LEU   2  24.427  -4.710   6.766
   13   HD11  LEU   2          1HD1      LEU   2  25.867  -3.311   7.904
   14   HD12  LEU   2          2HD1      LEU   2  25.633  -4.625   9.056
   15   HD13  LEU   2          3HD1      LEU   2  27.103  -4.556   8.086
   16   HD21  LEU   2          3HD2      LEU   2  27.150  -4.725   5.929
   17   HD22  LEU   2          1HD2      LEU   2  26.411  -6.267   5.489
   18   HD23  LEU   2          2HD2      LEU   2  25.686  -4.754   4.945
   19    HA   PRO   3           HA       PRO   3  21.330  -9.228   9.995
   20    HB2  PRO   3           2HB      PRO   3  23.558 -11.013  10.776
   21    HB3  PRO   3           1HB      PRO   3  21.887 -11.412  10.362
   22    HG2  PRO   3           2HG      PRO   3  23.883 -11.967   8.682
   23    HG3  PRO   3           1HG      PRO   3  22.309 -11.410   8.086
   24    HD2  PRO   3           2HD      PRO   3  24.859  -9.872   8.410
   25    HD3  PRO   3           1HD      PRO   3  23.678  -9.832   7.083
   26    H    ALA   4           H        ALA   4  21.348  -7.438  11.305
   27    HA   ALA   4           HA       ALA   4  23.463  -7.302  13.350
   28    HB1  ALA   4           1HB      ALA   4  23.567  -5.116  12.940
   29    HB2  ALA   4           2HB      ALA   4  22.297  -5.273  11.722
   30    HB3  ALA   4           3HB      ALA   4  21.871  -4.955  13.404
   31    H    SER   5           H        SER   5  21.182  -5.342  14.493
   32    HA   SER   5           HA       SER   5  20.065  -7.355  16.246
   33    HB2  SER   5           2HB      SER   5  18.898  -4.843  16.781
   34    HB3  SER   5           1HB      SER   5  20.215  -5.622  17.663
   35    HG   SER   5           HG       SER   5  21.200  -3.836  16.999
   36    H    ALA   6           H        ALA   6  18.742  -4.794  14.129
   37    HA   ALA   6           HA       ALA   6  16.592  -6.513  13.266
   38    HB1  ALA   6           1HB      ALA   6  15.189  -5.897  14.911
   39    HB2  ALA   6           2HB      ALA   6  16.188  -4.518  15.374
   40    HB3  ALA   6           3HB      ALA   6  15.061  -4.377  14.023
   41    H    ALA   7           H        ALA   7  15.058  -5.152  11.811
   42    HA   ALA   7           HA       ALA   7  16.789  -3.432  10.174
   43    HB1  ALA   7           1HB      ALA   7  14.414  -5.098   9.346
   44    HB2  ALA   7           2HB      ALA   7  15.369  -4.070   8.276
   45    HB3  ALA   7           3HB      ALA   7  16.114  -5.471   9.049
   46    H    LYS   8           H        LYS   8  15.680  -1.721   8.949
   47    HA   LYS   8           HA       LYS   8  14.053  -0.170  10.736
   48    HB2  LYS   8           2HB      LYS   8  15.991   0.586   9.095
   49    HB3  LYS   8           1HB      LYS   8  14.654   0.751   7.963
   50    HG2  LYS   8           2HG      LYS   8  13.897   2.604   8.949
   51    HG3  LYS   8           1HG      LYS   8  14.137   1.957  10.571
   52    HD2  LYS   8           2HD      LYS   8  16.708   2.327   9.671
   53    HD3  LYS   8           1HD      LYS   8  15.848   3.699   8.973
   54    HE2  LYS   8           2HE      LYS   8  16.632   4.416  11.075
   55    HE3  LYS   8           1HE      LYS   8  14.906   4.118  11.270
   56    HZ1  LYS   8           3HZ      LYS   8  16.986   3.049  12.748
   57    HZ2  LYS   8           1HZ      LYS   8  16.357   1.766  11.842
   58    HZ3  LYS   8           2HZ      LYS   8  15.340   2.665  12.857
   59    H    ASN   9           H        ASN   9  11.988  -0.591  10.848
   60    HA   ASN   9           HA       ASN   9  10.495  -1.399   8.455
   61    HB2  ASN   9           2HB      ASN   9   8.700  -1.887  10.243
   62    HB3  ASN   9           1HB      ASN   9  10.125  -2.924  10.225
   63   HD21  ASN   9          1HD2      ASN   9  11.771  -2.560  11.796
   64   HD22  ASN   9          2HD2      ASN   9  11.402  -1.782  13.294
   65    H    ALA  10           H        ALA  10  11.339   1.391   9.669
   66    HA   ALA  10           HA       ALA  10   8.747   2.624  10.038
   67    HB1  ALA  10           1HB      ALA  10  11.544   3.737  10.166
   68    HB2  ALA  10           2HB      ALA  10  10.085   4.688  10.438
   69    HB3  ALA  10           3HB      ALA  10  10.477   3.351  11.519
   70    H    LYS  11           H        LYS  11  10.963   2.095   7.480
   71    HA   LYS  11           HA       LYS  11   9.531   4.039   5.804
   72    HB2  LYS  11           2HB      LYS  11  12.523   3.643   5.942
   73    HB3  LYS  11           1HB      LYS  11  11.724   4.472   4.615
   74    HG2  LYS  11           2HG      LYS  11  11.469   5.320   7.490
   75    HG3  LYS  11           1HG      LYS  11  12.710   5.937   6.403
   76    HD2  LYS  11           2HD      LYS  11  11.281   7.361   5.449
   77    HD3  LYS  11           1HD      LYS  11  10.080   6.089   5.207
   78    HE2  LYS  11           2HE      LYS  11   9.062   7.700   6.608
   79    HE3  LYS  11           1HE      LYS  11   9.484   6.339   7.642
   80    HZ1  LYS  11           3HZ      LYS  11  10.001   8.663   8.487
   81    HZ2  LYS  11           1HZ      LYS  11  11.271   8.685   7.363
   82    HZ3  LYS  11           2HZ      LYS  11  11.244   7.517   8.595
   83    H    LEU  12           H        LEU  12   9.221   3.447   3.675
   84    HA   LEU  12           HA       LEU  12   9.864   0.659   3.073
   85    HB2  LEU  12           2HB      LEU  12   8.082   1.048   1.221
   86    HB3  LEU  12           1HB      LEU  12   7.576   0.745   2.870
   87    HG   LEU  12           HG       LEU  12   7.905   3.585   2.074
   88   HD11  LEU  12          1HD1      LEU  12   6.684   2.126   0.227
   89   HD12  LEU  12          2HD1      LEU  12   5.329   2.304   1.343
   90   HD13  LEU  12          3HD1      LEU  12   6.117   3.734   0.678
   91   HD21  LEU  12          3HD2      LEU  12   7.090   2.523   4.326
   92   HD22  LEU  12          1HD2      LEU  12   6.320   3.977   3.686
   93   HD23  LEU  12          2HD2      LEU  12   5.549   2.402   3.471
   94    H    ALA  13           H        ALA  13  11.922   0.955   2.372
   95    HA   ALA  13           HA       ALA  13  13.571   1.212   0.834
   96    HB1  ALA  13           1HB      ALA  13  12.675   0.186  -0.952
   97    HB2  ALA  13           2HB      ALA  13  11.126   1.017  -0.780
   98    HB3  ALA  13           3HB      ALA  13  12.474   1.818  -1.588
   99    H    THR  14           H        THR  14  13.614   3.234   2.298
  100    HA   THR  14           HA       THR  14  14.377   5.360   2.469
  101    HB   THR  14           HB       THR  14  14.003   5.524  -0.529
  102    HG1  THR  14           1HG      THR  14  16.166   4.851   1.184
  103   HG21  THR  14          3HG2      THR  14  15.970   7.326   0.356
  104   HG22  THR  14          1HG2      THR  14  14.584   7.566   1.417
  105   HG23  THR  14          2HG2      THR  14  14.395   7.717  -0.330
  106    H    SER  15           H        SER  15  11.614   5.100   0.226
  107    HA   SER  15           HA       SER  15   9.596   6.158   0.152
  108    HB2  SER  15           2HB      SER  15  10.091   6.635   3.101
  109    HB3  SER  15           1HB      SER  15   8.528   6.680   2.281
  110    HG   SER  15           HG       SER  15   9.451   4.379   1.639
  111    H    ALA  16           H        ALA  16  11.727   7.752  -0.675
  112    HA   ALA  16           HA       ALA  16  12.170  10.128   0.704
  113    HB1  ALA  16           1HB      ALA  16  12.568  10.953  -1.820
  114    HB2  ALA  16           2HB      ALA  16  13.715   9.950  -0.934
  115    HB3  ALA  16           3HB      ALA  16  12.591   9.205  -2.069
  116    H    ALA  17           H        ALA  17   9.850   9.522  -1.929
  117    HA   ALA  17           HA       ALA  17   8.638  12.115  -1.371
  118    HB1  ALA  17           1HB      ALA  17   7.744  12.078  -3.449
  119    HB2  ALA  17           2HB      ALA  17   9.097  10.980  -3.727
  120    HB3  ALA  17           3HB      ALA  17   7.484  10.334  -3.428
  121    H    PHE  18           H        PHE  18   8.169   8.786  -0.659
  122    HA   PHE  18           HA       PHE  18   5.364   8.880  -0.184
  123    HB2  PHE  18           2HB      PHE  18   6.852   6.791  -0.468
  124    HB3  PHE  18           1HB      PHE  18   7.249   7.006   1.235
  125    HD1  PHE  18           2HD      PHE  18   4.330   6.703  -1.050
  126    HD2  PHE  18           1HD      PHE  18   5.889   6.033   2.855
  127    HE1  PHE  18           2HE      PHE  18   2.269   5.520  -0.436
  128    HE2  PHE  18           1HE      PHE  18   3.818   4.846   3.481
  129    HZ   PHE  18           HZ       PHE  18   2.009   4.590   1.831
  130    H    ALA  19           H        ALA  19   8.165   9.823   1.592
  131    HA   ALA  19           HA       ALA  19   7.045  10.000   4.168
  132    HB1  ALA  19           1HB      ALA  19   8.939  12.077   3.820
  133    HB2  ALA  19           2HB      ALA  19   9.152  10.517   4.613
  134    HB3  ALA  19           3HB      ALA  19   9.490  10.679   2.890
  135    H    LYS  20           H        LYS  20   7.064  12.209   1.426
  136    HA   LYS  20           HA       LYS  20   5.835  14.397   2.774
  137    HB2  LYS  20           2HB      LYS  20   7.067  14.107   0.376
  138    HB3  LYS  20           1HB      LYS  20   5.386  14.061  -0.133
  139    HG2  LYS  20           2HG      LYS  20   4.993  16.219   0.915
  140    HG3  LYS  20           1HG      LYS  20   6.666  16.261   1.478
  141    HD2  LYS  20           2HD      LYS  20   7.303  17.144  -0.461
  142    HD3  LYS  20           1HD      LYS  20   6.679  15.730  -1.314
  143    HE2  LYS  20           2HE      LYS  20   5.232  17.134  -2.278
  144    HE3  LYS  20           1HE      LYS  20   4.400  17.163  -0.726
  145    HZ1  LYS  20           3HZ      LYS  20   4.800  19.327  -0.678
  146    HZ2  LYS  20           1HZ      LYS  20   5.800  19.247  -2.051
  147    HZ3  LYS  20           2HZ      LYS  20   6.455  18.986  -0.504
  148    H    GLN  21           H        GLN  21   4.761  11.591   1.033
  149    HA   GLN  21           HA       GLN  21   1.997  12.204   0.905
  150    HB2  GLN  21           2HB      GLN  21   3.679  10.212  -0.039
  151    HB3  GLN  21           1HB      GLN  21   2.663   9.367   1.114
  152    HG2  GLN  21           2HG      GLN  21   0.715  10.560  -0.136
  153    HG3  GLN  21           1HG      GLN  21   1.916  10.745  -1.416
  154   HE21  GLN  21          1HE2      GLN  21  -0.007   8.503   0.412
  155   HE22  GLN  21          2HE2      GLN  21   0.247   7.131  -0.608
  156    H    ALA  22           H        ALA  22   4.051  10.558   3.233
  157    HA   ALA  22           HA       ALA  22   1.991   9.540   4.890
  158    HB1  ALA  22           1HB      ALA  22   4.943   9.924   5.195
  159    HB2  ALA  22           2HB      ALA  22   3.956   9.416   6.567
  160    HB3  ALA  22           3HB      ALA  22   4.011   8.427   5.109
  161    H    GLU  23           H        GLU  23   3.287  12.664   4.515
  162    HA   GLU  23           HA       GLU  23   2.369  13.483   7.171
  163    HB2  GLU  23           2HB      GLU  23   4.280  14.642   5.193
  164    HB3  GLU  23           1HB      GLU  23   3.455  15.729   6.304
  165    HG2  GLU  23           2HG      GLU  23   4.254  14.119   8.137
  166    HG3  GLU  23           1HG      GLU  23   5.370  13.515   6.915
  167    H    GLY  24           H        GLY  24   1.099  13.124   4.193
  168    HA2  GLY  24           1HA      GLY  24  -0.291  15.597   3.830
  169    HA3  GLY  24           2HA      GLY  24  -0.670  14.066   3.052
  170    H    THR  25           H        THR  25  -0.961  12.627   5.528
  171    HA   THR  25           HA       THR  25  -3.124  13.934   6.958
  172    HB   THR  25           HB       THR  25  -3.880  11.183   6.333
  173    HG1  THR  25           1HG      THR  25  -3.450  13.031   4.232
  174   HG21  THR  25          3HG2      THR  25  -5.096  13.617   7.024
  175   HG22  THR  25          1HG2      THR  25  -5.884  12.063   6.747
  176   HG23  THR  25          2HG2      THR  25  -5.706  13.209   5.418
  177    H    THR  26           H        THR  26  -3.683  12.705   8.961
  178    HA   THR  26           HA       THR  26  -1.270  11.856  10.202
  179    HB   THR  26           HB       THR  26  -3.742  11.268  11.657
  180    HG1  THR  26           1HG      THR  26  -3.736  13.880  11.722
  181   HG21  THR  26          3HG2      THR  26  -1.083  12.256  12.129
  182   HG22  THR  26          1HG2      THR  26  -2.266  11.654  13.294
  183   HG23  THR  26          2HG2      THR  26  -2.262  13.359  12.839
  184    H    CYS  27           H        CYS  27  -0.540   9.992   9.262
  185    HA   CYS  27           HA       CYS  27  -1.822   7.560  10.218
  186    HB2  CYS  27           2HB      CYS  27  -1.082   8.029   7.319
  187    HB3  CYS  27           1HB      CYS  27  -1.429   6.445   7.997
  188    H    ASN  28           H        ASN  28  -0.308   5.819  10.454
  189    HA   ASN  28           HA       ASN  28   2.470   6.324   9.784
  190    HB2  ASN  28           2HB      ASN  28   1.476   6.928  12.395
  191    HB3  ASN  28           1HB      ASN  28   2.510   5.509  12.523
  192   HD21  ASN  28          1HD2      ASN  28   2.558   8.502  10.618
  193   HD22  ASN  28          2HD2      ASN  28   4.178   8.946  11.038
  194    H    VAL  29           H        VAL  29   3.604   4.317  11.373
  195    HA   VAL  29           HA       VAL  29   3.034   2.021   9.898
  196    HB   VAL  29           HB       VAL  29   5.152   2.090  10.930
  197   HG11  VAL  29          1HG1      VAL  29   4.949   1.868  13.647
  198   HG12  VAL  29          2HG1      VAL  29   5.300   3.359  12.773
  199   HG13  VAL  29          3HG1      VAL  29   3.649   2.995  13.267
  200   HG21  VAL  29          3HG2      VAL  29   5.015  -0.128  11.126
  201   HG22  VAL  29          1HG2      VAL  29   4.591   0.113  12.823
  202   HG23  VAL  29          2HG2      VAL  29   3.319  -0.034  11.608
  203    H    GLY  30           H        GLY  30   1.526   0.517  10.026
  204    HA2  GLY  30           1HA      GLY  30   0.128  -0.975  11.292
  205    HA3  GLY  30           2HA      GLY  30  -0.041   0.284  12.505
  206    H    SER  31           H        SER  31  -0.478   2.380  10.476
  207    HA   SER  31           HA       SER  31  -3.174   1.571   9.620
  208    HB2  SER  31           2HB      SER  31  -3.767   4.029  10.021
  209    HB3  SER  31           1HB      SER  31  -3.545   3.010  11.441
  210    HG   SER  31           HG       SER  31  -2.471   5.154  11.412
  211    H    ILE  32           H        ILE  32  -0.186   2.748   8.579
  212    HA   ILE  32           HA       ILE  32  -1.267   4.380   6.459
  213    HB   ILE  32           HB       ILE  32   0.975   4.765   7.691
  214   HG12  ILE  32          2HG1      ILE  32   1.316   4.979   4.736
  215   HG13  ILE  32          1HG1      ILE  32  -0.050   5.805   5.491
  216   HG21  ILE  32          1HG2      ILE  32   2.897   3.701   7.005
  217   HG22  ILE  32          2HG2      ILE  32   1.732   2.377   7.031
  218   HG23  ILE  32          3HG2      ILE  32   2.174   3.134   5.501
  219   HD11  ILE  32          3HD1      ILE  32   1.734   6.760   7.103
  220   HD12  ILE  32          1HD1      ILE  32   2.879   6.271   5.854
  221   HD13  ILE  32          2HD1      ILE  32   1.600   7.425   5.473
  222    H    ALA  33           H        ALA  33  -1.815   3.739   4.499
  223    HA   ALA  33           HA       ALA  33  -0.630   1.368   3.314
  224    HB1  ALA  33           1HB      ALA  33  -3.505   1.209   3.034
  225    HB2  ALA  33           2HB      ALA  33  -2.349  -0.025   3.534
  226    HB3  ALA  33           3HB      ALA  33  -3.004   1.104   4.722
  227    H    CYS  34           H        CYS  34  -1.759   0.990   1.104
  228    HA   CYS  34           HA       CYS  34  -2.558   3.554  -0.083
  229    HB2  CYS  34           2HB      CYS  34  -0.606   1.513  -1.079
  230    HB3  CYS  34           1HB      CYS  34  -1.525   2.471  -2.236
  231    H    CYS  35           H        CYS  35  -4.348   3.481  -1.428
  232    HA   CYS  35           HA       CYS  35  -5.696   0.859  -1.517
  233    HB2  CYS  35           2HB      CYS  35  -6.620   3.553  -0.792
  234    HB3  CYS  35           1HB      CYS  35  -7.703   2.679  -1.872
  235    H    ASN  36           H        ASN  36  -7.091   0.449  -3.371
  236    HA   ASN  36           HA       ASN  36  -6.444   2.013  -5.759
  237    HB2  ASN  36           2HB      ASN  36  -4.872  -0.049  -5.351
  238    HB3  ASN  36           1HB      ASN  36  -6.253  -0.974  -5.935
  239   HD21  ASN  36          1HD2      ASN  36  -4.302  -1.379  -7.491
  240   HD22  ASN  36          2HD2      ASN  36  -4.324  -0.403  -8.930
  241    H    SER  37           H        SER  37  -7.798   1.550  -7.576
  242    HA   SER  37           HA       SER  37 -10.522   1.121  -6.957
  243    HB2  SER  37           2HB      SER  37  -9.935   0.721  -9.750
  244    HB3  SER  37           1HB      SER  37 -10.724   2.095  -8.975
  245    HG   SER  37           HG       SER  37  -8.186   1.875  -9.928
  246    HA   PRO  38           HA       PRO  38 -10.767  -3.253  -6.707
  247    HB2  PRO  38           2HB      PRO  38 -13.256  -3.608  -7.907
  248    HB3  PRO  38           1HB      PRO  38 -12.983  -3.219  -6.207
  249    HG2  PRO  38           2HG      PRO  38 -13.686  -1.412  -8.479
  250    HG3  PRO  38           1HG      PRO  38 -14.244  -1.373  -6.796
  251    HD2  PRO  38           2HD      PRO  38 -12.392   0.344  -7.686
  252    HD3  PRO  38           1HD      PRO  38 -12.301  -0.341  -6.046
  253    H    ALA  39           H        ALA  39 -11.538  -1.763  -9.827
  254    HA   ALA  39           HA       ALA  39 -11.393  -4.146 -11.352
  255    HB1  ALA  39           1HB      ALA  39 -12.595  -2.340 -12.287
  256    HB2  ALA  39           2HB      ALA  39 -11.231  -1.240 -12.110
  257    HB3  ALA  39           3HB      ALA  39 -11.168  -2.548 -13.294
  258    H    GLU  40           H        GLU  40  -9.024  -2.419  -9.801
  259    HA   GLU  40           HA       GLU  40  -6.906  -3.315 -11.639
  260    HB2  GLU  40           2HB      GLU  40  -7.208  -1.004  -9.807
  261    HB3  GLU  40           1HB      GLU  40  -5.621  -1.757  -9.815
  262    HG2  GLU  40           2HG      GLU  40  -5.668  -1.479 -12.338
  263    HG3  GLU  40           1HG      GLU  40  -7.070  -0.440 -12.089
  264    H    THR  41           H        THR  41  -7.765  -3.019  -8.228
  265    HA   THR  41           HA       THR  41  -5.731  -4.602  -7.129
  266    HB   THR  41           HB       THR  41  -8.418  -4.602  -5.856
  267    HG1  THR  41           1HG      THR  41  -6.922  -2.261  -6.456
  268   HG21  THR  41          3HG2      THR  41  -5.790  -3.659  -4.754
  269   HG22  THR  41          1HG2      THR  41  -6.248  -5.365  -4.789
  270   HG23  THR  41          2HG2      THR  41  -7.218  -4.208  -3.875
  271    H    ASN  42           H        ASN  42  -8.817  -5.432  -8.546
  272    HA   ASN  42           HA       ASN  42  -8.593  -8.191  -7.565
  273    HB2  ASN  42           2HB      ASN  42 -10.823  -6.369  -8.188
  274    HB3  ASN  42           1HB      ASN  42 -11.060  -8.047  -8.648
  275   HD21  ASN  42          1HD2      ASN  42  -9.780  -6.202  -5.912
  276   HD22  ASN  42          2HD2      ASN  42 -10.580  -7.125  -4.688
  277    H    ASN  43           H        ASN  43  -7.355  -6.806 -10.010
  278    HA   ASN  43           HA       ASN  43  -8.532  -7.773 -12.354
  279    HB2  ASN  43           2HB      ASN  43  -6.617  -6.062 -12.040
  280    HB3  ASN  43           1HB      ASN  43  -5.554  -7.467 -12.058
  281   HD21  ASN  43          1HD2      ASN  43  -7.701  -5.464 -13.902
  282   HD22  ASN  43          2HD2      ASN  43  -7.256  -6.071 -15.465
  283    H    ASP  44           H        ASP  44  -6.524  -9.362 -10.002
  284    HA   ASP  44           HA       ASP  44  -6.600 -11.801 -11.656
  285    HB2  ASP  44           2HB      ASP  44  -4.298 -10.804 -11.351
  286    HB3  ASP  44           1HB      ASP  44  -4.462 -11.132  -9.625
  287    H    SER  45           H        SER  45  -7.062 -13.729 -10.600
  288    HA   SER  45           HA       SER  45  -8.789 -13.505  -8.363
  289    HB2  SER  45           2HB      SER  45  -8.001 -16.224  -8.850
  290    HB3  SER  45           1HB      SER  45  -9.541 -15.439  -9.196
  291    HG   SER  45           HG       SER  45  -7.836 -16.310 -10.942
  292    H    LEU  46           H        LEU  46  -5.394 -14.133  -8.674
  293    HA   LEU  46           HA       LEU  46  -5.226 -15.247  -5.985
  294    HB2  LEU  46           2HB      LEU  46  -3.790 -15.877  -8.089
  295    HB3  LEU  46           1HB      LEU  46  -2.844 -14.476  -7.619
  296    HG   LEU  46           HG       LEU  46  -2.554 -15.528  -5.356
  297   HD11  LEU  46          1HD1      LEU  46  -4.354 -17.048  -5.222
  298   HD12  LEU  46          2HD1      LEU  46  -3.926 -17.807  -6.756
  299   HD13  LEU  46          3HD1      LEU  46  -2.897 -18.035  -5.341
  300   HD21  LEU  46          3HD2      LEU  46  -1.334 -17.584  -6.904
  301   HD22  LEU  46          1HD2      LEU  46  -1.268 -16.073  -7.806
  302   HD23  LEU  46          2HD2      LEU  46  -0.594 -16.157  -6.179
  303    H    LEU  47           H        LEU  47  -4.790 -12.254  -7.680
  304    HA   LEU  47           HA       LEU  47  -3.161 -10.862  -5.885
  305    HB2  LEU  47           2HB      LEU  47  -5.321  -9.931  -7.774
  306    HB3  LEU  47           1HB      LEU  47  -4.415  -8.811  -6.772
  307    HG   LEU  47           HG       LEU  47  -3.337 -10.577  -8.963
  308   HD11  LEU  47          1HD1      LEU  47  -4.173  -8.676  -9.968
  309   HD12  LEU  47          2HD1      LEU  47  -3.773  -7.648  -8.589
  310   HD13  LEU  47          3HD1      LEU  47  -2.495  -8.224  -9.659
  311   HD21  LEU  47          3HD2      LEU  47  -1.797  -8.850  -7.023
  312   HD22  LEU  47          1HD2      LEU  47  -1.764 -10.613  -7.091
  313   HD23  LEU  47          2HD2      LEU  47  -1.130  -9.664  -8.437
  314    H    SER  48           H        SER  48  -6.632 -11.385  -5.927
  315    HA   SER  48           HA       SER  48  -7.300  -9.595  -3.862
  316    HB2  SER  48           2HB      SER  48  -9.292 -11.439  -3.773
  317    HB3  SER  48           1HB      SER  48  -9.190 -10.160  -4.989
  318    HG   SER  48           HG       SER  48  -9.399 -11.988  -6.166
  319    H    GLY  49           H        GLY  49  -5.980 -12.808  -3.838
  320    HA2  GLY  49           1HA      GLY  49  -6.514 -13.167  -0.985
  321    HA3  GLY  49           2HA      GLY  49  -5.737 -14.326  -2.056
  322    H    LEU  50           H        LEU  50  -4.072 -11.949  -3.037
  323    HA   LEU  50           HA       LEU  50  -1.908 -12.308  -1.164
  324    HB2  LEU  50           2HB      LEU  50  -2.229 -11.395  -3.894
  325    HB3  LEU  50           1HB      LEU  50  -1.219 -10.289  -2.978
  326    HG   LEU  50           HG       LEU  50  -0.125 -12.681  -2.272
  327   HD11  LEU  50          1HD1      LEU  50  -1.743 -13.676  -4.028
  328   HD12  LEU  50          2HD1      LEU  50  -0.612 -13.006  -5.206
  329   HD13  LEU  50          3HD1      LEU  50  -0.056 -14.192  -4.023
  330   HD21  LEU  50          3HD2      LEU  50   0.810 -10.462  -3.290
  331   HD22  LEU  50          1HD2      LEU  50   1.729 -11.961  -3.415
  332   HD23  LEU  50          2HD2      LEU  50   0.793 -11.383  -4.793
  333    H    LEU  51           H        LEU  51  -4.437 -10.104  -1.693
  334    HA   LEU  51           HA       LEU  51  -3.362  -7.775  -0.499
  335    HB2  LEU  51           2HB      LEU  51  -6.023  -8.787  -1.267
  336    HB3  LEU  51           1HB      LEU  51  -6.032  -7.646   0.061
  337    HG   LEU  51           HG       LEU  51  -6.134  -6.057  -1.492
  338   HD11  LEU  51          1HD1      LEU  51  -3.645  -6.222  -2.831
  339   HD12  LEU  51          2HD1      LEU  51  -4.133  -5.128  -1.536
  340   HD13  LEU  51          3HD1      LEU  51  -3.394  -6.681  -1.146
  341   HD21  LEU  51          3HD2      LEU  51  -4.965  -7.258  -3.842
  342   HD22  LEU  51          1HD2      LEU  51  -6.205  -8.293  -3.132
  343   HD23  LEU  51          2HD2      LEU  51  -6.594  -6.631  -3.579
  344    H    GLY  52           H        GLY  52  -5.134 -10.544   0.767
  345    HA2  GLY  52           1HA      GLY  52  -4.903  -9.428   3.471
  346    HA3  GLY  52           2HA      GLY  52  -6.053 -10.658   2.970
  347    H    ALA  53           H        ALA  53  -2.681 -10.031   3.741
  348    HA   ALA  53           HA       ALA  53  -2.029 -12.837   3.834
  349    HB1  ALA  53           1HB      ALA  53  -0.486 -10.650   3.530
  350    HB2  ALA  53           2HB      ALA  53  -0.306 -10.900   5.267
  351    HB3  ALA  53           3HB      ALA  53   0.126 -12.187   4.142
  352    H    GLY  54           H        GLY  54  -4.050 -13.101   5.197
  353    HA2  GLY  54           1HA      GLY  54  -4.033 -14.094   7.545
  354    HA3  GLY  54           2HA      GLY  54  -3.567 -12.468   8.036
  355    H    LEU  55           H        LEU  55  -5.220 -11.355   8.846
  356    HA   LEU  55           HA       LEU  55  -7.883 -11.824   7.677
  357    HB2  LEU  55           2HB      LEU  55  -6.976 -11.649  10.411
  358    HB3  LEU  55           1HB      LEU  55  -8.195 -10.430  10.090
  359    HG   LEU  55           HG       LEU  55  -8.549 -13.377   9.557
  360   HD11  LEU  55          1HD1      LEU  55  -8.804 -11.818  11.979
  361   HD12  LEU  55          2HD1      LEU  55 -10.330 -12.571  11.518
  362   HD13  LEU  55          3HD1      LEU  55  -8.892 -13.565  11.745
  363   HD21  LEU  55          3HD2      LEU  55 -10.850 -11.561   9.790
  364   HD22  LEU  55          1HD2      LEU  55  -9.848 -11.340   8.357
  365   HD23  LEU  55          2HD2      LEU  55 -10.576 -12.911   8.692
  366    H    LEU  56           H        LEU  56  -6.308 -10.154   6.253
  367    HA   LEU  56           HA       LEU  56  -6.846  -7.418   7.047
  368    HB2  LEU  56           2HB      LEU  56  -4.916  -8.617   5.453
  369    HB3  LEU  56           1HB      LEU  56  -5.954  -7.795   4.300
  370    HG   LEU  56           HG       LEU  56  -5.601  -5.842   6.166
  371   HD11  LEU  56          1HD1      LEU  56  -3.717  -7.757   6.861
  372   HD12  LEU  56          2HD1      LEU  56  -2.813  -6.546   5.950
  373   HD13  LEU  56          3HD1      LEU  56  -3.752  -6.067   7.365
  374   HD21  LEU  56          3HD2      LEU  56  -5.217  -6.053   3.562
  375   HD22  LEU  56          1HD2      LEU  56  -4.517  -4.729   4.492
  376   HD23  LEU  56          2HD2      LEU  56  -3.526  -6.122   4.057
  377    H    ASN  57           H        ASN  57  -8.239  -6.018   6.015
  378    HA   ASN  57           HA       ASN  57 -10.280  -7.340   4.366
  379    HB2  ASN  57           2HB      ASN  57 -10.508  -5.813   6.826
  380    HB3  ASN  57           1HB      ASN  57 -11.504  -5.141   5.542
  381   HD21  ASN  57          1HD2      ASN  57 -13.329  -5.733   6.735
  382   HD22  ASN  57          2HD2      ASN  57 -13.904  -7.371   6.743
  383    H    GLY  58           H        GLY  58 -11.754  -5.287   3.512
  384    HA2  GLY  58           1HA      GLY  58  -9.799  -3.963   1.738
  385    HA3  GLY  58           2HA      GLY  58 -11.433  -4.416   1.272
  386    H    LEU  59           H        LEU  59 -12.168  -2.450   0.655
  387    HA   LEU  59           HA       LEU  59 -11.736  -0.033   2.060
  388    HB2  LEU  59           2HB      LEU  59 -12.926  -0.841  -0.360
  389    HB3  LEU  59           1HB      LEU  59 -14.174   0.006   0.528
  390    HG   LEU  59           HG       LEU  59 -12.761   1.375  -1.084
  391   HD11  LEU  59          1HD1      LEU  59 -12.388   3.113   0.965
  392   HD12  LEU  59          2HD1      LEU  59 -13.927   2.837   0.150
  393   HD13  LEU  59          3HD1      LEU  59 -13.568   2.004   1.664
  394   HD21  LEU  59          3HD2      LEU  59 -10.589   1.989  -0.531
  395   HD22  LEU  59          1HD2      LEU  59 -10.752   1.440   1.138
  396   HD23  LEU  59          2HD2      LEU  59 -10.623   0.263  -0.169
  397    H    SER  60           H        SER  60 -13.229   1.229   3.250
  398    HA   SER  60           HA       SER  60 -14.764  -0.164   5.164
  399    HB2  SER  60           2HB      SER  60 -15.541   2.266   5.682
  400    HB3  SER  60           1HB      SER  60 -13.840   1.860   5.897
  401    HG   SER  60           HG       SER  60 -15.071   3.330   3.826
  402    H    GLY  61           H        GLY  61 -16.298  -1.391   4.047
  403    HA2  GLY  61           1HA      GLY  61 -18.671  -1.498   3.788
  404    HA3  GLY  61           2HA      GLY  61 -18.654   0.163   3.214
  405    H    ASN  62           H        ASN  62 -16.645   0.012   1.303
  406    HA   ASN  62           HA       ASN  62 -18.150  -1.108  -0.866
  407    HB2  ASN  62           2HB      ASN  62 -16.615   1.027  -0.790
  408    HB3  ASN  62           1HB      ASN  62 -15.352  -0.120  -1.214
  409   HD21  ASN  62          1HD2      ASN  62 -16.156  -1.678  -3.047
  410   HD22  ASN  62          2HD2      ASN  62 -16.871  -0.878  -4.401
  411    H    THR  63           H        THR  63 -18.109  -3.172  -1.326
  412    HA   THR  63           HA       THR  63 -15.875  -4.869  -0.653
  413    HB   THR  63           HB       THR  63 -17.892  -6.059  -2.382
  414    HG1  THR  63           1HG      THR  63 -19.581  -5.089  -1.552
  415   HG21  THR  63          3HG2      THR  63 -16.267  -6.741  -0.180
  416   HG22  THR  63          1HG2      THR  63 -17.326  -7.802  -1.108
  417   HG23  THR  63          2HG2      THR  63 -17.935  -6.984   0.331
  418    H    GLY  64           H        GLY  64 -14.130  -4.954  -1.929
  419    HA2  GLY  64           1HA      GLY  64 -13.653  -5.962  -4.250
  420    HA3  GLY  64           2HA      GLY  64 -14.466  -4.507  -4.816
  421    H    SER  65           H        SER  65 -13.525  -2.522  -3.355
  422    HA   SER  65           HA       SER  65 -10.826  -2.220  -4.205
  423    HB2  SER  65           2HB      SER  65 -11.645  -0.244  -2.267
  424    HB3  SER  65           1HB      SER  65 -11.359  -0.047  -3.996
  425    HG   SER  65           HG       SER  65 -13.516   0.462  -3.433
  426    H    ALA  66           H        ALA  66  -8.972  -2.374  -3.008
  427    HA   ALA  66           HA       ALA  66  -9.258  -3.067  -0.166
  428    HB1  ALA  66           1HB      ALA  66  -8.565  -4.881  -2.132
  429    HB2  ALA  66           2HB      ALA  66  -7.016  -4.400  -1.442
  430    HB3  ALA  66           3HB      ALA  66  -8.279  -5.058  -0.401
  431    H    CYS  67           H        CYS  67  -7.122  -2.895   0.999
  432    HA   CYS  67           HA       CYS  67  -5.463  -0.758  -0.163
  433    HB2  CYS  67           2HB      CYS  67  -7.065  -0.658   2.192
  434    HB3  CYS  67           1HB      CYS  67  -5.377  -0.633   2.684
  435    H    ALA  68           H        ALA  68  -3.335  -1.142  -0.161
  436    HA   ALA  68           HA       ALA  68  -2.420  -3.585   1.204
  437    HB1  ALA  68           1HB      ALA  68  -1.142  -4.064  -0.577
  438    HB2  ALA  68           2HB      ALA  68  -2.172  -2.917  -1.431
  439    HB3  ALA  68           3HB      ALA  68  -0.622  -2.393  -0.778
  440    H    LYS  69           H        LYS  69  -0.775  -3.504   2.624
  441    HA   LYS  69           HA       LYS  69   0.091  -0.823   3.421
  442    HB2  LYS  69           2HB      LYS  69   0.771  -3.056   5.198
  443    HB3  LYS  69           1HB      LYS  69   0.013  -1.514   5.568
  444    HG2  LYS  69           2HG      LYS  69  -1.659  -3.433   4.098
  445    HG3  LYS  69           1HG      LYS  69  -1.235  -3.885   5.750
  446    HD2  LYS  69           2HD      LYS  69  -1.959  -1.144   5.751
  447    HD3  LYS  69           1HD      LYS  69  -3.200  -2.033   4.861
  448    HE2  LYS  69           2HE      LYS  69  -2.306  -3.358   7.305
  449    HE3  LYS  69           1HE      LYS  69  -3.059  -1.788   7.583
  450    HZ1  LYS  69           3HZ      LYS  69  -4.856  -2.731   5.976
  451    HZ2  LYS  69           1HZ      LYS  69  -4.859  -3.175   7.612
  452    HZ3  LYS  69           2HZ      LYS  69  -4.227  -4.228   6.449
  453    H    ALA  70           H        ALA  70   2.296  -0.510   4.062
  454    HA   ALA  70           HA       ALA  70   4.109  -1.479   2.125
  455    HB1  ALA  70           1HB      ALA  70   5.454   0.159   2.855
  456    HB2  ALA  70           2HB      ALA  70   4.043   0.677   3.776
  457    HB3  ALA  70           3HB      ALA  70   5.282  -0.314   4.543
  458    H    SER  71           H        SER  71   3.187  -2.617   5.243
  459    HA   SER  71           HA       SER  71   5.546  -4.154   5.778
  460    HB2  SER  71           2HB      SER  71   3.353  -5.183   7.233
  461    HB3  SER  71           1HB      SER  71   4.573  -4.051   7.814
  462    HG   SER  71           HG       SER  71   1.995  -3.598   7.455
  463    H    LEU  72           H        LEU  72   2.567  -4.512   4.110
  464    HA   LEU  72           HA       LEU  72   2.781  -7.385   3.852
  465    HB2  LEU  72           2HB      LEU  72   0.679  -5.601   3.919
  466    HB3  LEU  72           1HB      LEU  72   0.792  -6.011   2.218
  467    HG   LEU  72           HG       LEU  72   0.809  -8.207   4.220
  468   HD11  LEU  72          1HD1      LEU  72  -1.104  -7.338   5.083
  469   HD12  LEU  72          2HD1      LEU  72  -1.476  -6.419   3.624
  470   HD13  LEU  72          3HD1      LEU  72  -1.791  -8.154   3.677
  471   HD21  LEU  72          3HD2      LEU  72  -0.775  -8.798   2.026
  472   HD22  LEU  72          1HD2      LEU  72   0.568  -7.854   1.380
  473   HD23  LEU  72          2HD2      LEU  72   0.887  -9.317   2.315
  474    H    ILE  73           H        ILE  73   3.512  -4.495   2.103
  475    HA   ILE  73           HA       ILE  73   3.632  -5.565  -0.487
  476    HB   ILE  73           HB       ILE  73   4.654  -3.121   0.836
  477   HG12  ILE  73          2HG1      ILE  73   3.742  -2.978  -1.935
  478   HG13  ILE  73          1HG1      ILE  73   2.594  -3.807  -0.889
  479   HG21  ILE  73          1HG2      ILE  73   5.984  -4.291  -1.589
  480   HG22  ILE  73          2HG2      ILE  73   5.893  -2.546  -1.355
  481   HG23  ILE  73          3HG2      ILE  73   6.719  -3.553  -0.167
  482   HD11  ILE  73          3HD1      ILE  73   1.834  -1.725  -0.551
  483   HD12  ILE  73          1HD1      ILE  73   3.147  -1.656   0.625
  484   HD13  ILE  73          2HD1      ILE  73   3.371  -0.974  -0.986
  485    H    ASP  74           H        ASP  74   6.009  -5.396   2.123
  486    HA   ASP  74           HA       ASP  74   8.104  -6.639   0.591
  487    HB2  ASP  74           2HB      ASP  74   8.604  -5.075   2.452
  488    HB3  ASP  74           1HB      ASP  74   7.904  -6.222   3.587
  489    H    GLN  75           H        GLN  75   5.304  -7.872   1.737
  490    HA   GLN  75           HA       GLN  75   6.335 -10.206   3.069
  491    HB2  GLN  75           2HB      GLN  75   3.969  -8.829   3.213
  492    HB3  GLN  75           1HB      GLN  75   3.510 -10.235   2.268
  493    HG2  GLN  75           2HG      GLN  75   3.240 -10.397   4.780
  494    HG3  GLN  75           1HG      GLN  75   4.094 -11.719   3.983
  495   HE21  GLN  75          1HE2      GLN  75   5.129  -8.482   4.968
  496   HE22  GLN  75          2HE2      GLN  75   6.443  -9.017   5.944
  497    H    LEU  76           H        LEU  76   4.944  -9.380  -0.051
  498    HA   LEU  76           HA       LEU  76   5.824 -11.967  -1.072
  499    HB2  LEU  76           2HB      LEU  76   3.015 -10.915  -1.395
  500    HB3  LEU  76           1HB      LEU  76   3.663 -12.329  -2.204
  501    HG   LEU  76           HG       LEU  76   4.087 -12.668   0.581
  502   HD11  LEU  76          1HD1      LEU  76   2.344 -11.766   1.598
  503   HD12  LEU  76          2HD1      LEU  76   1.770 -11.108   0.062
  504   HD13  LEU  76          3HD1      LEU  76   1.264 -12.718   0.576
  505   HD21  LEU  76          3HD2      LEU  76   2.821 -14.006  -1.679
  506   HD22  LEU  76          1HD2      LEU  76   3.804 -14.661  -0.368
  507   HD23  LEU  76          2HD2      LEU  76   2.082 -14.372  -0.120
  508    H    GLY  77           H        GLY  77   6.314  -8.901  -1.394
  509    HA2  GLY  77           1HA      GLY  77   6.941  -7.514  -3.109
  510    HA3  GLY  77           2HA      GLY  77   6.998  -8.948  -4.128
  511    H    LEU  78           H        LEU  78   4.321  -7.456  -2.389
  512    HA   LEU  78           HA       LEU  78   2.372  -8.001  -4.268
  513    HB2  LEU  78           2HB      LEU  78   2.631  -6.273  -1.909
  514    HB3  LEU  78           1HB      LEU  78   1.432  -5.724  -3.066
  515    HG   LEU  78           HG       LEU  78   0.503  -8.113  -2.973
  516   HD11  LEU  78          1HD1      LEU  78   2.176  -8.112  -0.468
  517   HD12  LEU  78          2HD1      LEU  78   0.935  -9.301  -0.875
  518   HD13  LEU  78          3HD1      LEU  78   2.388  -9.165  -1.870
  519   HD21  LEU  78          3HD2      LEU  78  -0.731  -7.599  -0.861
  520   HD22  LEU  78          1HD2      LEU  78   0.345  -6.218  -0.641
  521   HD23  LEU  78          2HD2      LEU  78  -0.720  -6.290  -2.044
  522    H    LEU  79           H        LEU  79   1.887  -7.212  -6.186
  523    HA   LEU  79           HA       LEU  79   3.017  -4.606  -6.937
  524    HB2  LEU  79           2HB      LEU  79   3.203  -5.420  -9.197
  525    HB3  LEU  79           1HB      LEU  79   4.021  -6.529  -8.115
  526    HG   LEU  79           HG       LEU  79   1.253  -7.301  -8.589
  527   HD11  LEU  79          1HD1      LEU  79   1.491  -6.346 -10.745
  528   HD12  LEU  79          2HD1      LEU  79   3.108  -7.025 -10.934
  529   HD13  LEU  79          3HD1      LEU  79   1.702  -8.090 -10.918
  530   HD21  LEU  79          3HD2      LEU  79   3.185  -9.174  -9.528
  531   HD22  LEU  79          1HD2      LEU  79   3.755  -8.475  -8.014
  532   HD23  LEU  79          2HD2      LEU  79   2.176  -9.256  -8.084
  533    H    ALA  80           H        ALA  80   0.218  -6.042  -6.109
  534    HA   ALA  80           HA       ALA  80  -1.486  -5.212  -8.273
  535    HB1  ALA  80           1HB      ALA  80  -1.710  -6.864  -5.921
  536    HB2  ALA  80           2HB      ALA  80  -3.089  -5.776  -6.069
  537    HB3  ALA  80           3HB      ALA  80  -2.681  -6.867  -7.394
  538    H    LEU  81           H        LEU  81  -0.014  -3.460  -5.874
  539    HA   LEU  81           HA       LEU  81  -2.021  -1.390  -5.968
  540    HB2  LEU  81           2HB      LEU  81  -2.100  -3.274  -3.899
  541    HB3  LEU  81           1HB      LEU  81  -1.417  -1.817  -3.193
  542    HG   LEU  81           HG       LEU  81  -3.947  -1.759  -4.805
  543   HD11  LEU  81          1HD1      LEU  81  -4.849  -3.016  -3.191
  544   HD12  LEU  81          2HD1      LEU  81  -3.499  -2.751  -2.089
  545   HD13  LEU  81          3HD1      LEU  81  -4.773  -1.537  -2.238
  546   HD21  LEU  81          3HD2      LEU  81  -2.616   0.320  -4.360
  547   HD22  LEU  81          1HD2      LEU  81  -4.278   0.347  -3.773
  548   HD23  LEU  81          2HD2      LEU  81  -2.948   0.077  -2.645
  549    H    VAL  82           H        VAL  82   0.762  -1.537  -6.752
  550    HA   VAL  82           HA       VAL  82   1.609   0.821  -5.241
  551    HB   VAL  82           HB       VAL  82   3.975  -0.592  -6.021
  552   HG11  VAL  82          1HG1      VAL  82   4.753   0.163  -4.025
  553   HG12  VAL  82          2HG1      VAL  82   3.343   1.211  -4.179
  554   HG13  VAL  82          3HG1      VAL  82   3.262  -0.232  -3.167
  555   HG21  VAL  82          3HG2      VAL  82   1.912  -2.290  -4.904
  556   HG22  VAL  82          1HG2      VAL  82   3.484  -2.719  -5.579
  557   HG23  VAL  82          2HG2      VAL  82   3.350  -2.245  -3.885
  558    H    ASP  83           H        ASP  83   2.409   2.384  -6.445
  559    HA   ASP  83           HA       ASP  83   2.930   1.801  -9.280
  560    HB2  ASP  83           2HB      ASP  83   1.156   3.610  -8.348
  561    HB3  ASP  83           1HB      ASP  83   2.604   4.618  -8.376
  562    H    HIS  84           H        HIS  84   4.779   3.166 -10.205
  563    HA   HIS  84           HA       HIS  84   6.842   3.273  -8.110
  564    HB2  HIS  84           2HB      HIS  84   6.686   1.281  -9.998
  565    HB3  HIS  84           1HB      HIS  84   7.869   2.390 -10.690
  566    HD1  HIS  84           1HD      HIS  84   9.775   3.154  -8.748
  567    HD2  HIS  84           2HD      HIS  84   7.813  -0.491  -8.330
  568    HE1  HIS  84           1HE      HIS  84  11.163   1.819  -7.140
  569    HE2  HIS  84           2HE      HIS  84  10.068  -0.457  -7.059
  570    H    THR  85           H        THR  85   7.551   5.238  -7.942
  571    HA   THR  85           HA       THR  85   8.157   6.728 -10.403
  572    HB   THR  85           HB       THR  85   8.552   8.597  -8.565
  573    HG1  THR  85           1HG      THR  85   7.918   7.974  -6.646
  574   HG21  THR  85          3HG2      THR  85   6.861   8.568 -10.411
  575   HG22  THR  85          1HG2      THR  85   6.312   9.369  -8.943
  576   HG23  THR  85          2HG2      THR  85   5.759   7.736  -9.313
  577    H    GLU  86           H        GLU  86  10.146   8.426  -9.428
  578    HA   GLU  86           HA       GLU  86  12.370   6.583  -9.553
  579    HB2  GLU  86           2HB      GLU  86  12.306   9.605  -9.483
  580    HB3  GLU  86           1HB      GLU  86  13.740   8.633  -9.781
  581    HG2  GLU  86           2HG      GLU  86  13.053   8.025 -11.891
  582    HG3  GLU  86           1HG      GLU  86  11.347   8.274 -11.519
  583    H    GLU  87           H        GLU  87  10.609   7.888  -7.051
  584    HA   GLU  87           HA       GLU  87  12.912   8.001  -5.232
  585    HB2  GLU  87           2HB      GLU  87  10.247   8.788  -4.226
  586    HB3  GLU  87           1HB      GLU  87  11.813   9.543  -3.973
  587    HG2  GLU  87           2HG      GLU  87  10.768  11.143  -5.208
  588    HG3  GLU  87           1HG      GLU  87  11.544  10.214  -6.492
  589    H    GLY  88           H        GLY  88  11.117   5.677  -6.330
  590    HA2  GLY  88           1HA      GLY  88  11.411   3.539  -5.145
  591    HA3  GLY  88           2HA      GLY  88  10.878   4.373  -3.694
  592    HA   PRO  89           HA       PRO  89   7.090   2.436  -5.523
  593    HB2  PRO  89           2HB      PRO  89   6.717   1.033  -3.036
  594    HB3  PRO  89           1HB      PRO  89   7.054   0.352  -4.628
  595    HG2  PRO  89           2HG      PRO  89   8.800   0.278  -2.500
  596    HG3  PRO  89           1HG      PRO  89   9.283   0.157  -4.202
  597    HD2  PRO  89           2HD      PRO  89   9.369   2.520  -2.362
  598    HD3  PRO  89           1HD      PRO  89  10.537   2.006  -3.600
  599    H    VAL  90           H        VAL  90   5.137   3.364  -5.213
  600    HA   VAL  90           HA       VAL  90   4.592   4.723  -2.677
  601    HB   VAL  90           HB       VAL  90   3.721   6.672  -4.200
  602   HG11  VAL  90          1HG1      VAL  90   6.621   6.903  -4.093
  603   HG12  VAL  90          2HG1      VAL  90   5.379   7.820  -3.238
  604   HG13  VAL  90          3HG1      VAL  90   5.929   6.270  -2.600
  605   HG21  VAL  90          3HG2      VAL  90   5.798   6.765  -5.978
  606   HG22  VAL  90          1HG2      VAL  90   5.348   5.059  -6.024
  607   HG23  VAL  90          2HG2      VAL  90   4.143   6.300  -6.371
  608    H    CYS  91           H        CYS  91   2.314   6.049  -3.312
  609    HA   CYS  91           HA       CYS  91   0.432   3.942  -3.300
  610    HB2  CYS  91           2HB      CYS  91   0.392   6.831  -2.955
  611    HB3  CYS  91           1HB      CYS  91  -1.022   6.250  -3.831
  612    H    LYS  92           H        LYS  92  -0.773   3.067  -4.847
  613    HA   LYS  92           HA       LYS  92   0.057   3.459  -7.541
  614    HB2  LYS  92           2HB      LYS  92  -0.415   1.239  -6.850
  615    HB3  LYS  92           1HB      LYS  92  -1.998   1.691  -6.236
  616    HG2  LYS  92           2HG      LYS  92  -2.571   0.665  -8.194
  617    HG3  LYS  92           1HG      LYS  92  -2.453   2.347  -8.716
  618    HD2  LYS  92           2HD      LYS  92   0.072   1.629  -9.138
  619    HD3  LYS  92           1HD      LYS  92  -0.687   0.048  -9.318
  620    HE2  LYS  92           2HE      LYS  92  -0.521   1.168 -11.467
  621    HE3  LYS  92           1HE      LYS  92  -2.210   0.978 -10.993
  622    HZ1  LYS  92           3HZ      LYS  92  -0.563   3.432 -11.036
  623    HZ2  LYS  92           1HZ      LYS  92  -1.946   3.337 -10.059
  624    HZ3  LYS  92           2HZ      LYS  92  -2.089   3.156 -11.735
  625    H    ASN  93           H        ASN  93  -2.746   4.374  -5.651
  626    HA   ASN  93           HA       ASN  93  -3.646   6.124  -7.759
  627    HB2  ASN  93           2HB      ASN  93  -4.917   3.530  -7.244
  628    HB3  ASN  93           1HB      ASN  93  -6.034   4.886  -7.223
  629   HD21  ASN  93          1HD2      ASN  93  -5.429   2.579  -9.106
  630   HD22  ASN  93          2HD2      ASN  93  -5.322   3.329 -10.662
  631    H    ILE  94           H        ILE  94  -5.260   4.577  -4.972
  632    HA   ILE  94           HA       ILE  94  -6.141   7.250  -4.150
  633    HB   ILE  94           HB       ILE  94  -7.198   4.498  -3.484
  634   HG12  ILE  94          2HG1      ILE  94  -9.164   6.213  -4.592
  635   HG13  ILE  94          1HG1      ILE  94  -7.723   6.368  -5.592
  636   HG21  ILE  94          1HG2      ILE  94  -9.092   6.332  -2.657
  637   HG22  ILE  94          2HG2      ILE  94  -8.037   5.373  -1.619
  638   HG23  ILE  94          3HG2      ILE  94  -7.566   7.009  -2.086
  639   HD11  ILE  94          3HD1      ILE  94  -7.995   3.637  -5.167
  640   HD12  ILE  94          1HD1      ILE  94  -9.637   4.223  -5.438
  641   HD13  ILE  94          2HD1      ILE  94  -8.379   4.532  -6.637
  642    H    VAL  95           H        VAL  95  -5.693   8.104  -2.181
  643    HA   VAL  95           HA       VAL  95  -3.759   6.665  -0.515
  644    HB   VAL  95           HB       VAL  95  -4.624   9.554  -0.296
  645   HG11  VAL  95          1HG1      VAL  95  -3.536   8.334   1.685
  646   HG12  VAL  95          2HG1      VAL  95  -2.066   8.342   0.708
  647   HG13  VAL  95          3HG1      VAL  95  -2.826   9.866   1.174
  648   HG21  VAL  95          3HG2      VAL  95  -2.565  10.125  -1.472
  649   HG22  VAL  95          1HG2      VAL  95  -2.206   8.413  -1.691
  650   HG23  VAL  95          2HG2      VAL  95  -3.609   9.128  -2.484
  651    H    ALA  96           H        ALA  96  -4.472   5.650   1.260
  652    HA   ALA  96           HA       ALA  96  -6.774   6.706   2.702
  653    HB1  ALA  96           1HB      ALA  96  -7.215   4.774   0.853
  654    HB2  ALA  96           2HB      ALA  96  -6.909   3.804   2.296
  655    HB3  ALA  96           3HB      ALA  96  -8.193   5.012   2.303
  656    H    CYS  97           H        CYS  97  -7.064   5.673   4.807
  657    HA   CYS  97           HA       CYS  97  -4.510   4.670   5.861
  658    HB2  CYS  97           2HB      CYS  97  -5.925   6.811   6.735
  659    HB3  CYS  97           1HB      CYS  97  -6.590   5.548   7.768
  660    H    CYS  98           H        CYS  98  -4.391   2.658   6.598
  661    HA   CYS  98           HA       CYS  98  -6.874   1.136   6.985
  662    HB2  CYS  98           2HB      CYS  98  -6.105   0.863   4.641
  663    HB3  CYS  98           1HB      CYS  98  -4.560   0.271   5.241
  664    HA   PRO  99           HA       PRO  99  -4.280  -0.136  10.426
  665    HB2  PRO  99           2HB      PRO  99  -6.197  -1.407  11.817
  666    HB3  PRO  99           1HB      PRO  99  -6.152   0.355  11.700
  667    HG2  PRO  99           2HG      PRO  99  -7.827  -1.591  10.158
  668    HG3  PRO  99           1HG      PRO  99  -8.307  -0.061  10.922
  669    HD2  PRO  99           2HD      PRO  99  -7.751  -0.294   8.256
  670    HD3  PRO  99           1HD      PRO  99  -7.503   1.203   9.173
  671    H    GLU 100           H        GLU 100  -3.036  -1.941  10.691
  672    HA   GLU 100           HA       GLU 100  -3.719  -4.297   9.137
  673    HB2  GLU 100           2HB      GLU 100  -1.321  -3.165   9.745
  674    HB3  GLU 100           1HB      GLU 100  -1.396  -4.451  10.942
  675    HG2  GLU 100           2HG      GLU 100  -1.431  -6.125   9.337
  676    HG3  GLU 100           1HG      GLU 100  -1.968  -5.030   8.063
  677    H    GLY 101           H        GLY 101  -4.306  -6.265   9.917
  678    HA2  GLY 101           1HA      GLY 101  -4.249  -7.734  11.969
  679    HA3  GLY 101           2HA      GLY 101  -4.979  -6.355  12.785
  680    H    THR 102           H        THR 102  -6.970  -5.487  11.527
  681    HA   THR 102           HA       THR 102  -8.534  -7.318  10.012
  682    HB   THR 102           HB       THR 102 -10.213  -6.870  12.293
  683    HG1  THR 102           1HG      THR 102  -7.753  -8.211  12.857
  684   HG21  THR 102          3HG2      THR 102  -9.078  -9.499  11.360
  685   HG22  THR 102          1HG2      THR 102 -10.328  -8.631  10.467
  686   HG23  THR 102          2HG2      THR 102 -10.645  -9.187  12.110
  687    H    THR 103           H        THR 103 -10.899  -6.456   9.951
  688    HA   THR 103           HA       THR 103 -12.409  -4.812   9.612
  689    HB   THR 103           HB       THR 103 -10.692  -2.689  10.837
  690    HG1  THR 103           1HG      THR 103 -10.436  -4.328  12.317
  691   HG21  THR 103          3HG2      THR 103 -13.593  -3.260  11.358
  692   HG22  THR 103          1HG2      THR 103 -13.077  -2.393   9.909
  693   HG23  THR 103          2HG2      THR 103 -12.715  -1.737  11.502
  694    H    ASN 104           H        ASN 104 -12.692  -2.696   8.522
  695    HA   ASN 104           HA       ASN 104 -11.306  -2.900   6.024
  696    HB2  ASN 104           2HB      ASN 104 -13.397  -0.866   6.793
  697    HB3  ASN 104           1HB      ASN 104 -12.954  -1.384   5.174
  698   HD21  ASN 104          1HD2      ASN 104 -15.540  -1.353   6.561
  699   HD22  ASN 104          2HD2      ASN 104 -16.131  -2.976   6.480
  700    H    CYS 105           H        CYS 105 -10.797  -0.836   4.836
  701    HA   CYS 105           HA       CYS 105  -9.318   1.030   6.571
  702    HB2  CYS 105           2HB      CYS 105  -8.738   0.938   3.669
  703    HB3  CYS 105           1HB      CYS 105  -7.634   1.078   5.034
  704    H    VAL 106           H        VAL 106  -9.590   3.262   6.213
  705    HA   VAL 106           HA       VAL 106 -12.032   3.907   4.727
  706    HB   VAL 106           HB       VAL 106 -12.592   5.464   6.280
  707   HG11  VAL 106          1HG1      VAL 106 -12.003   4.761   8.541
  708   HG12  VAL 106          2HG1      VAL 106 -12.319   3.371   7.505
  709   HG13  VAL 106          3HG1      VAL 106 -10.657   3.813   7.903
  710   HG21  VAL 106          3HG2      VAL 106  -9.724   5.951   7.074
  711   HG22  VAL 106          1HG2      VAL 106 -10.554   6.850   5.806
  712   HG23  VAL 106          2HG2      VAL 106 -11.136   6.935   7.467
  713    H    ALA 107           H        ALA 107 -12.114   5.507   3.220
  714    HA   ALA 107           HA       ALA 107  -9.538   6.630   2.363
  715    HB1  ALA 107           1HB      ALA 107 -10.166   5.788   0.394
  716    HB2  ALA 107           2HB      ALA 107 -11.831   5.552   0.928
  717    HB3  ALA 107           3HB      ALA 107 -11.312   7.126   0.322
  718    H    VAL 108           H        VAL 108  -9.197   8.712   2.662
  719    HA   VAL 108           HA       VAL 108 -11.508  10.495   3.021
  720    HB   VAL 108           HB       VAL 108  -9.617  11.693   4.589
  721   HG11  VAL 108          1HG1      VAL 108 -11.275   9.804   6.082
  722   HG12  VAL 108          2HG1      VAL 108 -11.256  11.565   6.116
  723   HG13  VAL 108          3HG1      VAL 108 -12.165  10.718   4.865
  724   HG21  VAL 108          3HG2      VAL 108  -9.486   8.968   5.699
  725   HG22  VAL 108          1HG2      VAL 108  -8.503   9.256   4.266
  726   HG23  VAL 108          2HG2      VAL 108  -8.278  10.256   5.702
  727    H    ASP 109           H        ASP 109  -9.467   9.875   0.849
  728    HA   ASP 109           HA       ASP 109  -7.989  12.361   0.622
  729    HB2  ASP 109           2HB      ASP 109  -6.976  11.366  -1.351
  730    HB3  ASP 109           1HB      ASP 109  -6.959  10.196  -0.038
  731    H    ASN 110           H        ASN 110 -10.588  10.662  -1.039
  732    HA   ASN 110           HA       ASN 110 -12.276  11.340  -2.380
  733    HB2  ASN 110           2HB      ASN 110 -11.585  13.892  -0.995
  734    HB3  ASN 110           1HB      ASN 110 -12.640  13.971  -2.404
  735   HD21  ASN 110          1HD2      ASN 110 -12.339  13.048   0.881
  736   HD22  ASN 110          2HD2      ASN 110 -13.981  12.555   1.133
  737    H    ALA 111           H        ALA 111  -9.457  11.197  -3.240
  738    HA   ALA 111           HA       ALA 111  -8.279  11.338  -5.157
  739    HB1  ALA 111           1HB      ALA 111  -9.422  11.643  -7.245
  740    HB2  ALA 111           2HB      ALA 111 -10.429  10.666  -6.177
  741    HB3  ALA 111           3HB      ALA 111 -10.805  12.372  -6.429
  742    H    GLY 112           H        GLY 112  -7.568  12.874  -6.953
  743    HA2  GLY 112           1HA      GLY 112  -8.091  15.642  -6.790
  744    HA3  GLY 112           2HA      GLY 112  -6.599  15.259  -5.934
  745    H    ALA 113           H        ALA 113  -4.821  15.359  -7.112
  746    HA   ALA 113           HA       ALA 113  -4.710  14.325  -9.788
  747    HB1  ALA 113           1HB      ALA 113  -4.488  16.224 -11.040
  748    HB2  ALA 113           2HB      ALA 113  -5.638  16.791  -9.829
  749    HB3  ALA 113           3HB      ALA 113  -3.929  17.189  -9.673
  750    H    GLY 114           H        GLY 114  -3.235  15.936  -7.086
  751    HA2  GLY 114           1HA      GLY 114  -0.535  15.432  -8.049
  752    HA3  GLY 114           2HA      GLY 114  -0.977  16.192  -6.523
  753    H    THR 115           H        THR 115   0.753  13.797  -7.437
  754    HA   THR 115           HA       THR 115  -0.526  11.589  -6.037
  755    HB   THR 115           HB       THR 115   1.874  10.575  -6.639
  756    HG1  THR 115           1HG      THR 115   1.478  12.694  -8.530
  757   HG21  THR 115          3HG2      THR 115  -0.452  11.009  -8.509
  758   HG22  THR 115          1HG2      THR 115  -0.150   9.617  -7.469
  759   HG23  THR 115          2HG2      THR 115   0.887   9.918  -8.863
  760    H    LYS 116           H        LYS 116   2.282  13.684  -5.731
  761    HA   LYS 116           HA       LYS 116   2.529  13.766  -3.011
  762    HB2  LYS 116           2HB      LYS 116   3.892  12.048  -2.267
  763    HB3  LYS 116           1HB      LYS 116   2.915  11.192  -3.452
  764    HG2  LYS 116           2HG      LYS 116   4.968  12.047  -4.991
  765    HG3  LYS 116           1HG      LYS 116   5.779  11.800  -3.444
  766    HD2  LYS 116           2HD      LYS 116   5.776   9.600  -3.754
  767    HD3  LYS 116           1HD      LYS 116   4.020   9.605  -3.956
  768    HE2  LYS 116           2HE      LYS 116   5.194   8.668  -5.913
  769    HE3  LYS 116           1HE      LYS 116   4.244  10.099  -6.309
  770    HZ1  LYS 116           3HZ      LYS 116   6.470  11.317  -5.936
  771    HZ2  LYS 116           1HZ      LYS 116   6.231  10.486  -7.389
  772    HZ3  LYS 116           2HZ      LYS 116   7.172   9.793  -6.158
  773    H    ALA 117           H        ALA 117   3.962  13.748  -6.145
  774    HA   ALA 117           HA       ALA 117   6.376  15.096  -5.297
  775    HB1  ALA 117           1HB      ALA 117   5.410  13.812  -7.756
  776    HB2  ALA 117           2HB      ALA 117   6.438  15.228  -7.998
  777    HB3  ALA 117           3HB      ALA 117   7.029  13.863  -7.053
  778    H    GLU 118           H        GLU 118   5.182  16.894  -4.359
  779    HA   GLU 118           HA       GLU 118   4.540  18.908  -6.405
  780    HB2  GLU 118           2HB      GLU 118   2.870  18.091  -4.425
  781    HB3  GLU 118           1HB      GLU 118   3.709  19.402  -3.610
  782    HG2  GLU 118           2HG      GLU 118   1.753  20.321  -4.554
  783    HG3  GLU 118           1HG      GLU 118   3.108  20.878  -5.532
  Start of MODEL   18
    1    H1   SER   1           1H       SER   1  18.906  14.844  10.706
    2    H2   SER   1           2H       SER   1  20.099  14.835  11.907
    3    H3   SER   1           3H       SER   1  19.839  16.232  10.977
    4    HA   SER   1           HA       SER   1  18.284  16.962  12.311
    5    HB2  SER   1           2HB      SER   1  16.936  14.332  12.703
    6    HB3  SER   1           1HB      SER   1  16.238  15.919  12.377
    7    HG   SER   1           HG       SER   1  16.022  15.097  10.440
    8    H    LEU   2           H        LEU   2  17.817  17.143  14.541
    9    HA   LEU   2           HA       LEU   2  19.775  15.863  16.234
   10    HB2  LEU   2           2HB      LEU   2  17.777  18.063  16.504
   11    HB3  LEU   2           1HB      LEU   2  18.346  17.289  17.970
   12    HG   LEU   2           HG       LEU   2  20.545  18.012  16.217
   13   HD11  LEU   2          1HD1      LEU   2  18.399  19.916  16.477
   14   HD12  LEU   2          2HD1      LEU   2  19.875  20.520  17.228
   15   HD13  LEU   2          3HD1      LEU   2  19.886  20.023  15.535
   16   HD21  LEU   2          3HD2      LEU   2  20.732  17.393  18.596
   17   HD22  LEU   2          1HD2      LEU   2  21.410  18.986  18.262
   18   HD23  LEU   2          2HD2      LEU   2  19.827  18.845  19.026
   19    HA   PRO   3           HA       PRO   3  17.326  12.661  18.124
   20    HB2  PRO   3           2HB      PRO   3  17.930  13.829  20.782
   21    HB3  PRO   3           1HB      PRO   3  18.250  12.204  20.170
   22    HG2  PRO   3           2HG      PRO   3  20.231  13.959  20.469
   23    HG3  PRO   3           1HG      PRO   3  20.193  12.855  19.079
   24    HD2  PRO   3           2HD      PRO   3  19.477  15.761  19.221
   25    HD3  PRO   3           1HD      PRO   3  20.352  14.875  17.953
   26    H    ALA   4           H        ALA   4  15.277  13.307  17.485
   27    HA   ALA   4           HA       ALA   4  13.562  14.220  19.623
   28    HB1  ALA   4           1HB      ALA   4  13.792  15.753  17.034
   29    HB2  ALA   4           2HB      ALA   4  12.484  15.957  18.199
   30    HB3  ALA   4           3HB      ALA   4  14.142  16.347  18.655
   31    H    SER   5           H        SER   5  11.967  14.781  16.788
   32    HA   SER   5           HA       SER   5  10.429  12.395  16.947
   33    HB2  SER   5           2HB      SER   5   9.903  13.648  14.489
   34    HB3  SER   5           1HB      SER   5   9.007  13.851  15.997
   35    HG   SER   5           HG       SER   5   9.945  15.734  16.328
   36    H    ALA   6           H        ALA   6  13.173  13.408  15.086
   37    HA   ALA   6           HA       ALA   6  12.882  11.387  13.054
   38    HB1  ALA   6           1HB      ALA   6  14.061  13.768  13.004
   39    HB2  ALA   6           2HB      ALA   6  15.465  12.785  13.420
   40    HB3  ALA   6           3HB      ALA   6  14.551  12.441  11.950
   41    H    ALA   7           H        ALA   7  12.724   9.829  15.016
   42    HA   ALA   7           HA       ALA   7  15.397   8.620  15.344
   43    HB1  ALA   7           1HB      ALA   7  15.102   8.458  17.551
   44    HB2  ALA   7           2HB      ALA   7  13.669   9.473  17.376
   45    HB3  ALA   7           3HB      ALA   7  13.516   7.717  17.335
   46    H    LYS   8           H        LYS   8  13.347   8.327  13.262
   47    HA   LYS   8           HA       LYS   8  12.595   5.514  13.655
   48    HB2  LYS   8           2HB      LYS   8  11.165   7.477  11.854
   49    HB3  LYS   8           1HB      LYS   8  10.635   5.863  12.314
   50    HG2  LYS   8           2HG      LYS   8  11.059   7.880  14.457
   51    HG3  LYS   8           1HG      LYS   8   9.628   8.021  13.432
   52    HD2  LYS   8           2HD      LYS   8   8.710   6.617  14.928
   53    HD3  LYS   8           1HD      LYS   8   9.584   5.376  14.028
   54    HE2  LYS   8           2HE      LYS   8  11.534   6.053  15.681
   55    HE3  LYS   8           1HE      LYS   8  10.184   6.579  16.685
   56    HZ1  LYS   8           3HZ      LYS   8  10.868   4.279  17.129
   57    HZ2  LYS   8           1HZ      LYS   8  10.470   3.857  15.535
   58    HZ3  LYS   8           2HZ      LYS   8   9.258   4.381  16.597
   59    H    ASN   9           H        ASN   9  13.703   4.189  12.408
   60    HA   ASN   9           HA       ASN   9  14.897   5.243   9.927
   61    HB2  ASN   9           2HB      ASN   9  16.604   3.401  10.259
   62    HB3  ASN   9           1HB      ASN   9  16.653   4.695  11.450
   63   HD21  ASN   9          1HD2      ASN   9  15.480   4.291  13.473
   64   HD22  ASN   9          2HD2      ASN   9  15.485   2.693  14.120
   65    H    ALA  10           H        ALA  10  12.298   3.737  10.667
   66    HA   ALA  10           HA       ALA  10  12.611   1.431   8.903
   67    HB1  ALA  10           1HB      ALA  10  10.462   0.690   9.724
   68    HB2  ALA  10           2HB      ALA  10  11.495   1.107  11.093
   69    HB3  ALA  10           3HB      ALA  10  10.222   2.215  10.576
   70    H    LYS  11           H        LYS  11  12.454   2.033   6.811
   71    HA   LYS  11           HA       LYS  11  10.169   3.729   6.057
   72    HB2  LYS  11           2HB      LYS  11  13.030   3.903   5.119
   73    HB3  LYS  11           1HB      LYS  11  11.700   4.632   4.233
   74    HG2  LYS  11           2HG      LYS  11  11.877   5.293   7.101
   75    HG3  LYS  11           1HG      LYS  11  13.146   5.941   6.058
   76    HD2  LYS  11           2HD      LYS  11  11.620   7.149   4.764
   77    HD3  LYS  11           1HD      LYS  11  10.246   6.198   5.327
   78    HE2  LYS  11           2HE      LYS  11  10.155   7.301   7.369
   79    HE3  LYS  11           1HE      LYS  11  11.827   7.854   7.256
   80    HZ1  LYS  11           3HZ      LYS  11   9.431   9.122   6.343
   81    HZ2  LYS  11           1HZ      LYS  11  10.582   8.988   5.105
   82    HZ3  LYS  11           2HZ      LYS  11  10.983   9.770   6.551
   83    H    LEU  12           H        LEU  12  10.113   3.640   3.461
   84    HA   LEU  12           HA       LEU  12   9.737   0.809   2.864
   85    HB2  LEU  12           2HB      LEU  12   8.758   3.377   1.673
   86    HB3  LEU  12           1HB      LEU  12   8.705   1.906   0.722
   87    HG   LEU  12           HG       LEU  12   7.481   1.010   2.932
   88   HD11  LEU  12          1HD1      LEU  12   6.871   2.610   4.345
   89   HD12  LEU  12          2HD1      LEU  12   7.637   3.826   3.322
   90   HD13  LEU  12          3HD1      LEU  12   5.951   3.386   3.054
   91   HD21  LEU  12          3HD2      LEU  12   6.218   2.588   0.693
   92   HD22  LEU  12          1HD2      LEU  12   6.576   0.863   0.693
   93   HD23  LEU  12          2HD2      LEU  12   5.349   1.508   1.783
   94    H    ALA  13           H        ALA  13  12.371   1.494   3.021
   95    HA   ALA  13           HA       ALA  13  14.352   1.153   1.968
   96    HB1  ALA  13           1HB      ALA  13  12.860  -0.515   0.642
   97    HB2  ALA  13           2HB      ALA  13  13.046   0.651  -0.665
   98    HB3  ALA  13           3HB      ALA  13  14.468  -0.106   0.050
   99    H    THR  14           H        THR  14  12.121   3.429   0.918
  100    HA   THR  14           HA       THR  14  14.162   5.347   0.336
  101    HB   THR  14           HB       THR  14  12.438   5.546  -1.942
  102    HG1  THR  14           1HG      THR  14  13.777   3.040  -1.679
  103   HG21  THR  14          3HG2      THR  14  14.556   6.586  -1.970
  104   HG22  THR  14          1HG2      THR  14  14.658   5.274  -3.146
  105   HG23  THR  14          2HG2      THR  14  15.385   5.088  -1.549
  106    H    SER  15           H        SER  15  10.747   4.624  -0.310
  107    HA   SER  15           HA       SER  15   8.813   5.725   0.088
  108    HB2  SER  15           2HB      SER  15   9.728   7.299   2.385
  109    HB3  SER  15           1HB      SER  15   8.473   6.060   2.288
  110    HG   SER  15           HG       SER  15  11.266   5.677   2.584
  111    H    ALA  16           H        ALA  16  10.438   8.412   1.606
  112    HA   ALA  16           HA       ALA  16  10.495  10.626   1.123
  113    HB1  ALA  16           1HB      ALA  16  11.910   9.250  -0.852
  114    HB2  ALA  16           2HB      ALA  16  10.986  10.487  -1.705
  115    HB3  ALA  16           3HB      ALA  16  12.077  10.944  -0.396
  116    H    ALA  17           H        ALA  17   9.508  10.101  -2.187
  117    HA   ALA  17           HA       ALA  17   7.333  11.802  -2.188
  118    HB1  ALA  17           1HB      ALA  17   7.308  11.288  -4.349
  119    HB2  ALA  17           2HB      ALA  17   8.566  10.095  -4.026
  120    HB3  ALA  17           3HB      ALA  17   6.866   9.615  -4.006
  121    H    PHE  18           H        PHE  18   7.441   8.346  -1.447
  122    HA   PHE  18           HA       PHE  18   4.611   8.097  -1.083
  123    HB2  PHE  18           2HB      PHE  18   6.100   6.161  -1.596
  124    HB3  PHE  18           1HB      PHE  18   6.791   6.308   0.017
  125    HD1  PHE  18           1HD      PHE  18   3.716   5.525  -1.859
  126    HD2  PHE  18           2HD      PHE  18   5.661   5.432   1.923
  127    HE1  PHE  18           1HE      PHE  18   1.920   4.093  -0.977
  128    HE2  PHE  18           2HE      PHE  18   3.869   3.992   2.812
  129    HZ   PHE  18           HZ       PHE  18   1.995   3.323   1.364
  130    H    ALA  19           H        ALA  19   7.317   8.923   0.955
  131    HA   ALA  19           HA       ALA  19   6.106   8.379   3.446
  132    HB1  ALA  19           1HB      ALA  19   8.534   9.768   2.520
  133    HB2  ALA  19           2HB      ALA  19   7.933  10.208   4.121
  134    HB3  ALA  19           3HB      ALA  19   8.329   8.530   3.756
  135    H    LYS  20           H        LYS  20   5.813  11.008   1.239
  136    HA   LYS  20           HA       LYS  20   5.029  13.128   2.827
  137    HB2  LYS  20           2HB      LYS  20   4.325  12.212   0.085
  138    HB3  LYS  20           1HB      LYS  20   3.336  13.479   0.797
  139    HG2  LYS  20           2HG      LYS  20   4.901  15.017   0.469
  140    HG3  LYS  20           1HG      LYS  20   6.173  13.980   1.118
  141    HD2  LYS  20           2HD      LYS  20   5.733  12.740  -1.218
  142    HD3  LYS  20           1HD      LYS  20   5.294  14.388  -1.675
  143    HE2  LYS  20           2HE      LYS  20   7.740  14.256  -0.107
  144    HE3  LYS  20           1HE      LYS  20   7.842  13.332  -1.606
  145    HZ1  LYS  20           3HZ      LYS  20   8.295  15.964  -1.420
  146    HZ2  LYS  20           1HZ      LYS  20   6.659  15.963  -1.866
  147    HZ3  LYS  20           2HZ      LYS  20   7.804  15.192  -2.851
  148    H    GLN  21           H        GLN  21   3.401  10.151   2.237
  149    HA   GLN  21           HA       GLN  21   0.760  10.898   2.889
  150    HB2  GLN  21           2HB      GLN  21   2.208   8.485   2.301
  151    HB3  GLN  21           1HB      GLN  21   1.188   8.221   3.709
  152    HG2  GLN  21           2HG      GLN  21  -0.685   9.245   2.301
  153    HG3  GLN  21           1HG      GLN  21   0.392   8.995   0.929
  154   HE21  GLN  21          1HE2      GLN  21   1.124   6.792   0.530
  155   HE22  GLN  21          2HE2      GLN  21   0.077   5.479   0.942
  156    H    ALA  22           H        ALA  22   3.563  10.133   4.813
  157    HA   ALA  22           HA       ALA  22   1.996   9.803   7.250
  158    HB1  ALA  22           1HB      ALA  22   3.706   8.577   7.986
  159    HB2  ALA  22           2HB      ALA  22   4.372   8.700   6.356
  160    HB3  ALA  22           3HB      ALA  22   4.876   9.842   7.603
  161    H    GLU  23           H        GLU  23   3.649  12.258   5.560
  162    HA   GLU  23           HA       GLU  23   4.022  13.850   7.977
  163    HB2  GLU  23           2HB      GLU  23   4.732  15.257   5.561
  164    HB3  GLU  23           1HB      GLU  23   5.741  14.828   6.932
  165    HG2  GLU  23           2HG      GLU  23   5.218  12.523   5.304
  166    HG3  GLU  23           1HG      GLU  23   5.875  13.838   4.330
  167    H    GLY  24           H        GLY  24   2.347  13.969   4.856
  168    HA2  GLY  24           1HA      GLY  24   1.097  16.494   5.493
  169    HA3  GLY  24           2HA      GLY  24   0.806  15.512   4.064
  170    H    THR  25           H        THR  25   0.160  13.097   5.512
  171    HA   THR  25           HA       THR  25  -2.501  13.906   6.484
  172    HB   THR  25           HB       THR  25  -2.095  11.132   5.514
  173    HG1  THR  25           1HG      THR  25  -1.487  13.336   4.015
  174   HG21  THR  25          3HG2      THR  25  -4.319  11.960   4.324
  175   HG22  THR  25          1HG2      THR  25  -4.248  13.194   5.583
  176   HG23  THR  25          2HG2      THR  25  -4.305  11.486   6.023
  177    H    THR  26           H        THR  26  -3.438  12.684   8.196
  178    HA   THR  26           HA       THR  26  -1.477  11.681  10.078
  179    HB   THR  26           HB       THR  26  -4.240  11.491  10.944
  180    HG1  THR  26           1HG      THR  26  -4.698  13.725  10.807
  181   HG21  THR  26          3HG2      THR  26  -3.335  12.196  12.877
  182   HG22  THR  26          1HG2      THR  26  -2.529  13.562  12.109
  183   HG23  THR  26          2HG2      THR  26  -1.785  11.963  12.070
  184    H    CYS  27           H        CYS  27  -0.863   9.668   9.432
  185    HA   CYS  27           HA       CYS  27  -2.913   7.594   9.703
  186    HB2  CYS  27           2HB      CYS  27  -1.181   8.080   7.359
  187    HB3  CYS  27           1HB      CYS  27  -1.232   6.409   7.911
  188    H    ASN  28           H        ASN  28  -1.703   5.362   9.917
  189    HA   ASN  28           HA       ASN  28   0.345   5.844  11.981
  190    HB2  ASN  28           2HB      ASN  28  -2.127   4.642  12.263
  191    HB3  ASN  28           1HB      ASN  28  -1.033   3.269  12.123
  192   HD21  ASN  28          1HD2      ASN  28  -2.373   3.610  14.406
  193   HD22  ASN  28          2HD2      ASN  28  -1.323   4.151  15.673
  194    H    VAL  29           H        VAL  29   1.821   3.965  12.379
  195    HA   VAL  29           HA       VAL  29   3.217   3.350  10.023
  196    HB   VAL  29           HB       VAL  29   3.948   3.337  12.579
  197   HG11  VAL  29          1HG1      VAL  29   4.282   0.461  12.367
  198   HG12  VAL  29          2HG1      VAL  29   3.747   1.442  13.732
  199   HG13  VAL  29          3HG1      VAL  29   2.587   0.934  12.505
  200   HG21  VAL  29          3HG2      VAL  29   5.947   3.074  11.647
  201   HG22  VAL  29          1HG2      VAL  29   5.599   1.399  11.216
  202   HG23  VAL  29          2HG2      VAL  29   5.118   2.708  10.136
  203    H    GLY  30           H        GLY  30   0.840   1.504  11.847
  204    HA2  GLY  30           1HA      GLY  30   0.999  -0.612   9.804
  205    HA3  GLY  30           2HA      GLY  30   0.298  -0.810  11.409
  206    H    SER  31           H        SER  31  -0.190   1.913   9.277
  207    HA   SER  31           HA       SER  31  -2.855   1.004   8.576
  208    HB2  SER  31           2HB      SER  31  -2.431   3.658   9.957
  209    HB3  SER  31           1HB      SER  31  -3.967   2.977   9.418
  210    HG   SER  31           HG       SER  31  -2.987   1.131  10.911
  211    H    ILE  32           H        ILE  32  -0.009   2.609   7.783
  212    HA   ILE  32           HA       ILE  32  -1.204   4.308   5.789
  213    HB   ILE  32           HB       ILE  32   1.208   4.411   7.107
  214   HG12  ILE  32          2HG1      ILE  32   1.092   5.874   4.557
  215   HG13  ILE  32          1HG1      ILE  32  -0.324   6.035   5.585
  216   HG21  ILE  32          1HG2      ILE  32   3.000   3.894   5.817
  217   HG22  ILE  32          2HG2      ILE  32   1.895   2.635   5.266
  218   HG23  ILE  32          3HG2      ILE  32   2.115   4.098   4.304
  219   HD11  ILE  32          3HD1      ILE  32   0.826   7.711   6.511
  220   HD12  ILE  32          1HD1      ILE  32   1.679   6.426   7.368
  221   HD13  ILE  32          2HD1      ILE  32   2.371   7.118   5.902
  222    H    ALA  33           H        ALA  33  -1.578   3.801   3.716
  223    HA   ALA  33           HA       ALA  33  -0.609   1.269   2.651
  224    HB1  ALA  33           1HB      ALA  33  -2.951   1.320   4.117
  225    HB2  ALA  33           2HB      ALA  33  -3.501   1.375   2.442
  226    HB3  ALA  33           3HB      ALA  33  -2.453   0.061   2.984
  227    H    CYS  34           H        CYS  34  -1.869   0.820   0.522
  228    HA   CYS  34           HA       CYS  34  -2.662   3.291  -0.826
  229    HB2  CYS  34           2HB      CYS  34  -0.254   2.565  -1.397
  230    HB3  CYS  34           1HB      CYS  34  -1.000   1.210  -2.243
  231    H    CYS  35           H        CYS  35  -4.315   3.038  -2.244
  232    HA   CYS  35           HA       CYS  35  -5.460   0.335  -2.463
  233    HB2  CYS  35           2HB      CYS  35  -6.660   2.873  -1.540
  234    HB3  CYS  35           1HB      CYS  35  -7.632   1.978  -2.704
  235    H    ASN  36           H        ASN  36  -6.573  -0.128  -4.390
  236    HA   ASN  36           HA       ASN  36  -6.356   1.877  -6.526
  237    HB2  ASN  36           2HB      ASN  36  -4.518  -0.022  -6.515
  238    HB3  ASN  36           1HB      ASN  36  -5.821  -0.994  -7.193
  239   HD21  ASN  36          1HD2      ASN  36  -3.805  -0.803  -8.792
  240   HD22  ASN  36          2HD2      ASN  36  -4.066   0.343 -10.066
  241    H    SER  37           H        SER  37  -7.849   1.523  -8.274
  242    HA   SER  37           HA       SER  37 -10.444   0.984  -7.626
  243    HB2  SER  37           2HB      SER  37  -9.506   0.287 -10.384
  244    HB3  SER  37           1HB      SER  37 -10.924   1.213  -9.885
  245    HG   SER  37           HG       SER  37  -9.637   2.970  -9.469
  246    HA   PRO  38           HA       PRO  38 -10.871  -3.245  -6.631
  247    HB2  PRO  38           2HB      PRO  38 -13.418  -3.050  -8.183
  248    HB3  PRO  38           1HB      PRO  38 -13.139  -3.648  -6.543
  249    HG2  PRO  38           2HG      PRO  38 -14.207  -1.248  -6.948
  250    HG3  PRO  38           1HG      PRO  38 -13.045  -1.520  -5.636
  251    HD2  PRO  38           2HD      PRO  38 -12.669  -0.139  -8.248
  252    HD3  PRO  38           1HD      PRO  38 -11.914   0.187  -6.675
  253    H    ALA  39           H        ALA  39 -11.678  -2.345  -9.975
  254    HA   ALA  39           HA       ALA  39 -11.546  -5.007 -10.980
  255    HB1  ALA  39           1HB      ALA  39 -11.635  -2.285 -12.227
  256    HB2  ALA  39           2HB      ALA  39 -11.340  -3.715 -13.217
  257    HB3  ALA  39           3HB      ALA  39 -12.830  -3.582 -12.282
  258    H    GLU  40           H        GLU  40  -9.145  -2.944  -9.933
  259    HA   GLU  40           HA       GLU  40  -7.136  -4.149 -11.709
  260    HB2  GLU  40           2HB      GLU  40  -6.757  -1.705  -9.974
  261    HB3  GLU  40           1HB      GLU  40  -5.695  -2.288 -11.245
  262    HG2  GLU  40           2HG      GLU  40  -8.505  -1.449 -11.848
  263    HG3  GLU  40           1HG      GLU  40  -7.202  -0.270 -11.725
  264    H    THR  41           H        THR  41  -8.001  -3.496  -8.357
  265    HA   THR  41           HA       THR  41  -5.752  -4.753  -7.174
  266    HB   THR  41           HB       THR  41  -8.030  -5.137  -5.517
  267    HG1  THR  41           1HG      THR  41  -7.992  -2.428  -6.223
  268   HG21  THR  41          3HG2      THR  41  -6.930  -3.295  -4.219
  269   HG22  THR  41          1HG2      THR  41  -5.782  -3.140  -5.548
  270   HG23  THR  41          2HG2      THR  41  -5.881  -4.648  -4.641
  271    H    ASN  42           H        ASN  42  -8.933  -5.842  -8.148
  272    HA   ASN  42           HA       ASN  42  -8.344  -8.589  -7.361
  273    HB2  ASN  42           2HB      ASN  42 -10.761  -6.985  -7.794
  274    HB3  ASN  42           1HB      ASN  42 -10.853  -8.616  -8.445
  275   HD21  ASN  42          1HD2      ASN  42  -9.756  -6.932  -5.539
  276   HD22  ASN  42          2HD2      ASN  42 -10.366  -8.098  -4.417
  277    H    ASN  43           H        ASN  43  -7.319  -6.957  -9.746
  278    HA   ASN  43           HA       ASN  43  -8.279  -8.062 -12.139
  279    HB2  ASN  43           2HB      ASN  43  -6.530  -6.130 -11.650
  280    HB3  ASN  43           1HB      ASN  43  -5.369  -7.437 -11.850
  281   HD21  ASN  43          1HD2      ASN  43  -7.944  -5.639 -13.415
  282   HD22  ASN  43          2HD2      ASN  43  -7.458  -6.004 -15.037
  283    H    ASP  44           H        ASP  44  -5.999  -9.211  -9.760
  284    HA   ASP  44           HA       ASP  44  -5.744 -11.723 -11.275
  285    HB2  ASP  44           2HB      ASP  44  -3.590 -10.713 -10.713
  286    HB3  ASP  44           1HB      ASP  44  -4.043 -10.642  -9.010
  287    H    SER  45           H        SER  45  -6.503 -13.602 -10.397
  288    HA   SER  45           HA       SER  45  -8.511 -13.389  -8.418
  289    HB2  SER  45           2HB      SER  45  -7.455 -16.076  -9.072
  290    HB3  SER  45           1HB      SER  45  -9.113 -15.468  -9.102
  291    HG   SER  45           HG       SER  45  -8.862 -14.796 -11.105
  292    H    LEU  46           H        LEU  46  -5.132 -14.188  -8.280
  293    HA   LEU  46           HA       LEU  46  -5.376 -15.209  -5.563
  294    HB2  LEU  46           2HB      LEU  46  -3.760 -16.058  -7.419
  295    HB3  LEU  46           1HB      LEU  46  -2.771 -14.690  -6.939
  296    HG   LEU  46           HG       LEU  46  -3.049 -15.699  -4.533
  297   HD11  LEU  46          1HD1      LEU  46  -2.975 -18.273  -4.853
  298   HD12  LEU  46          2HD1      LEU  46  -4.533 -17.448  -4.785
  299   HD13  LEU  46          3HD1      LEU  46  -3.860 -17.933  -6.340
  300   HD21  LEU  46          3HD2      LEU  46  -0.936 -15.464  -5.750
  301   HD22  LEU  46          1HD2      LEU  46  -1.009 -16.987  -4.861
  302   HD23  LEU  46          2HD2      LEU  46  -1.266 -16.971  -6.607
  303    H    LEU  47           H        LEU  47  -4.668 -12.291  -7.219
  304    HA   LEU  47           HA       LEU  47  -2.994 -10.947  -5.466
  305    HB2  LEU  47           2HB      LEU  47  -4.323 -10.337  -7.790
  306    HB3  LEU  47           1HB      LEU  47  -5.090  -9.267  -6.632
  307    HG   LEU  47           HG       LEU  47  -3.273  -8.100  -7.710
  308   HD11  LEU  47          1HD1      LEU  47  -3.312  -7.223  -5.614
  309   HD12  LEU  47          2HD1      LEU  47  -3.040  -8.784  -4.834
  310   HD13  LEU  47          3HD1      LEU  47  -1.694  -7.923  -5.579
  311   HD21  LEU  47          3HD2      LEU  47  -2.031 -10.267  -8.244
  312   HD22  LEU  47          1HD2      LEU  47  -1.056  -8.858  -7.829
  313   HD23  LEU  47          2HD2      LEU  47  -1.331 -10.123  -6.632
  314    H    SER  48           H        SER  48  -6.540 -11.105  -5.479
  315    HA   SER  48           HA       SER  48  -6.972  -9.359  -3.336
  316    HB2  SER  48           2HB      SER  48  -9.075 -11.157  -3.276
  317    HB3  SER  48           1HB      SER  48  -8.984  -9.704  -4.278
  318    HG   SER  48           HG       SER  48  -9.154 -12.176  -5.113
  319    H    GLY  49           H        GLY  49  -5.931 -12.664  -3.406
  320    HA2  GLY  49           1HA      GLY  49  -6.437 -12.981  -0.533
  321    HA3  GLY  49           2HA      GLY  49  -5.895 -14.245  -1.632
  322    H    LEU  50           H        LEU  50  -4.073 -11.761  -2.513
  323    HA   LEU  50           HA       LEU  50  -1.789 -12.696  -1.003
  324    HB2  LEU  50           2HB      LEU  50  -2.208 -11.570  -3.550
  325    HB3  LEU  50           1HB      LEU  50  -1.265 -10.391  -2.660
  326    HG   LEU  50           HG       LEU  50   0.423 -12.148  -2.176
  327   HD11  LEU  50          1HD1      LEU  50  -1.649 -13.822  -3.278
  328   HD12  LEU  50          2HD1      LEU  50  -0.125 -14.043  -4.139
  329   HD13  LEU  50          3HD1      LEU  50  -0.191 -14.271  -2.390
  330   HD21  LEU  50          3HD2      LEU  50   0.820 -10.670  -4.022
  331   HD22  LEU  50          1HD2      LEU  50   1.276 -12.300  -4.517
  332   HD23  LEU  50          2HD2      LEU  50  -0.250 -11.608  -5.064
  333    H    LEU  51           H        LEU  51  -3.825  -9.855  -1.215
  334    HA   LEU  51           HA       LEU  51  -2.226  -8.229   0.503
  335    HB2  LEU  51           2HB      LEU  51  -4.466  -6.923   0.694
  336    HB3  LEU  51           1HB      LEU  51  -3.603  -6.942  -0.835
  337    HG   LEU  51           HG       LEU  51  -5.332  -9.130  -0.962
  338   HD11  LEU  51          1HD1      LEU  51  -6.597  -6.770   0.388
  339   HD12  LEU  51          2HD1      LEU  51  -7.530  -7.883  -0.615
  340   HD13  LEU  51          3HD1      LEU  51  -6.693  -8.478   0.821
  341   HD21  LEU  51          3HD2      LEU  51  -4.821  -6.637  -2.322
  342   HD22  LEU  51          1HD2      LEU  51  -5.370  -8.181  -2.975
  343   HD23  LEU  51          2HD2      LEU  51  -6.540  -7.027  -2.332
  344    H    GLY  52           H        GLY  52  -4.816 -10.531   0.954
  345    HA2  GLY  52           1HA      GLY  52  -5.185  -9.801   3.735
  346    HA3  GLY  52           2HA      GLY  52  -6.011 -11.096   2.874
  347    H    ALA  53           H        ALA  53  -2.769 -10.205   4.060
  348    HA   ALA  53           HA       ALA  53  -2.002 -12.993   4.243
  349    HB1  ALA  53           1HB      ALA  53  -0.009 -12.039   3.934
  350    HB2  ALA  53           2HB      ALA  53  -0.650 -10.437   4.302
  351    HB3  ALA  53           3HB      ALA  53  -0.096 -11.484   5.606
  352    H    GLY  54           H        GLY  54  -4.125 -12.980   5.653
  353    HA2  GLY  54           1HA      GLY  54  -3.997 -13.942   8.059
  354    HA3  GLY  54           2HA      GLY  54  -3.562 -12.280   8.447
  355    H    LEU  55           H        LEU  55  -5.204 -10.973   9.004
  356    HA   LEU  55           HA       LEU  55  -7.848 -11.563   7.839
  357    HB2  LEU  55           2HB      LEU  55  -7.158 -11.606  10.543
  358    HB3  LEU  55           1HB      LEU  55  -7.967 -10.067  10.324
  359    HG   LEU  55           HG       LEU  55  -9.654 -11.570  10.985
  360   HD11  LEU  55          1HD1      LEU  55 -11.133 -11.737   9.054
  361   HD12  LEU  55          2HD1      LEU  55 -10.304 -10.180   9.085
  362   HD13  LEU  55          3HD1      LEU  55  -9.770 -11.441   7.974
  363   HD21  LEU  55          3HD2      LEU  55  -9.960 -13.766  10.186
  364   HD22  LEU  55          1HD2      LEU  55  -8.836 -13.520   8.850
  365   HD23  LEU  55          2HD2      LEU  55  -8.233 -13.602  10.505
  366    H    LEU  56           H        LEU  56  -6.567 -10.055   6.257
  367    HA   LEU  56           HA       LEU  56  -6.746  -7.257   6.998
  368    HB2  LEU  56           2HB      LEU  56  -5.279  -8.768   5.067
  369    HB3  LEU  56           1HB      LEU  56  -6.234  -7.565   4.222
  370    HG   LEU  56           HG       LEU  56  -3.826  -7.235   5.839
  371   HD11  LEU  56          1HD1      LEU  56  -4.258  -6.632   3.414
  372   HD12  LEU  56          2HD1      LEU  56  -5.184  -5.263   4.030
  373   HD13  LEU  56          3HD1      LEU  56  -3.469  -5.408   4.410
  374   HD21  LEU  56          3HD2      LEU  56  -5.024  -6.259   7.556
  375   HD22  LEU  56          1HD2      LEU  56  -4.679  -4.873   6.523
  376   HD23  LEU  56          2HD2      LEU  56  -6.269  -5.634   6.477
  377    H    ASN  57           H        ASN  57  -8.171  -5.795   6.114
  378    HA   ASN  57           HA       ASN  57 -10.517  -7.018   4.828
  379    HB2  ASN  57           2HB      ASN  57 -10.229  -5.244   7.105
  380    HB3  ASN  57           1HB      ASN  57 -11.297  -4.554   5.889
  381   HD21  ASN  57          1HD2      ASN  57 -13.210  -4.802   6.893
  382   HD22  ASN  57          2HD2      ASN  57 -13.896  -6.330   7.316
  383    H    GLY  58           H        GLY  58 -11.867  -4.946   3.887
  384    HA2  GLY  58           1HA      GLY  58 -10.000  -3.881   1.859
  385    HA3  GLY  58           2HA      GLY  58 -11.679  -4.292   1.539
  386    H    LEU  59           H        LEU  59 -11.938  -2.153   0.675
  387    HA   LEU  59           HA       LEU  59 -11.616   0.173   2.236
  388    HB2  LEU  59           2HB      LEU  59 -12.404  -0.422  -0.362
  389    HB3  LEU  59           1HB      LEU  59 -13.821   0.322   0.351
  390    HG   LEU  59           HG       LEU  59 -12.193   1.844  -0.890
  391   HD11  LEU  59          1HD1      LEU  59 -13.764   2.248   1.429
  392   HD12  LEU  59          2HD1      LEU  59 -12.301   3.223   1.590
  393   HD13  LEU  59          3HD1      LEU  59 -13.334   3.409   0.172
  394   HD21  LEU  59          3HD2      LEU  59 -10.054   1.528  -0.276
  395   HD22  LEU  59          1HD2      LEU  59 -10.467   2.634   1.036
  396   HD23  LEU  59          2HD2      LEU  59 -10.493   0.891   1.311
  397    H    SER  60           H        SER  60 -13.063   1.346   3.463
  398    HA   SER  60           HA       SER  60 -14.993  -0.082   4.942
  399    HB2  SER  60           2HB      SER  60 -14.544   2.907   4.712
  400    HB3  SER  60           1HB      SER  60 -15.508   2.115   5.955
  401    HG   SER  60           HG       SER  60 -12.718   1.971   5.528
  402    H    GLY  61           H        GLY  61 -16.541  -0.961   3.633
  403    HA2  GLY  61           1HA      GLY  61 -18.870  -0.604   3.051
  404    HA3  GLY  61           2HA      GLY  61 -18.403   0.951   2.376
  405    H    ASN  62           H        ASN  62 -16.465   0.578   0.714
  406    HA   ASN  62           HA       ASN  62 -17.639  -0.823  -1.475
  407    HB2  ASN  62           2HB      ASN  62 -16.165   1.299  -1.520
  408    HB3  ASN  62           1HB      ASN  62 -14.803   0.190  -1.415
  409   HD21  ASN  62          1HD2      ASN  62 -15.478   2.021  -3.533
  410   HD22  ASN  62          2HD2      ASN  62 -15.694   1.068  -4.964
  411    H    THR  63           H        THR  63 -17.716  -3.006  -1.210
  412    HA   THR  63           HA       THR  63 -15.420  -4.475  -0.262
  413    HB   THR  63           HB       THR  63 -17.354  -6.196  -1.479
  414    HG1  THR  63           1HG      THR  63 -18.410  -4.170   0.238
  415   HG21  THR  63          3HG2      THR  63 -17.354  -7.229   0.597
  416   HG22  THR  63          1HG2      THR  63 -17.137  -5.712   1.469
  417   HG23  THR  63          2HG2      THR  63 -15.783  -6.427   0.591
  418    H    GLY  64           H        GLY  64 -14.106  -3.491  -2.020
  419    HA2  GLY  64           1HA      GLY  64 -13.661  -5.441  -4.066
  420    HA3  GLY  64           2HA      GLY  64 -14.312  -3.939  -4.713
  421    H    SER  65           H        SER  65 -13.135  -1.965  -3.466
  422    HA   SER  65           HA       SER  65 -10.428  -2.008  -4.273
  423    HB2  SER  65           2HB      SER  65 -11.187   0.048  -2.306
  424    HB3  SER  65           1HB      SER  65 -10.542   0.231  -3.937
  425    HG   SER  65           HG       SER  65 -12.521   0.855  -4.353
  426    H    ALA  66           H        ALA  66  -8.764  -2.870  -3.229
  427    HA   ALA  66           HA       ALA  66  -9.012  -3.297  -0.332
  428    HB1  ALA  66           1HB      ALA  66  -8.987  -5.345  -1.830
  429    HB2  ALA  66           2HB      ALA  66  -7.299  -4.954  -2.163
  430    HB3  ALA  66           3HB      ALA  66  -7.813  -5.315  -0.515
  431    H    CYS  67           H        CYS  67  -7.293  -2.790   0.970
  432    HA   CYS  67           HA       CYS  67  -5.186  -1.196  -0.318
  433    HB2  CYS  67           2HB      CYS  67  -6.836  -0.806   2.084
  434    HB3  CYS  67           1HB      CYS  67  -5.122  -0.493   2.330
  435    H    ALA  68           H        ALA  68  -3.154  -1.878  -0.152
  436    HA   ALA  68           HA       ALA  68  -2.548  -3.893   1.904
  437    HB1  ALA  68           1HB      ALA  68  -0.754  -3.501  -0.442
  438    HB2  ALA  68           2HB      ALA  68  -1.080  -4.958   0.499
  439    HB3  ALA  68           3HB      ALA  68  -2.272  -4.373  -0.659
  440    H    LYS  69           H        LYS  69  -0.771  -3.607   3.209
  441    HA   LYS  69           HA       LYS  69   0.061  -0.819   3.425
  442    HB2  LYS  69           2HB      LYS  69  -0.096  -3.130   5.320
  443    HB3  LYS  69           1HB      LYS  69   1.016  -1.817   5.670
  444    HG2  LYS  69           2HG      LYS  69  -1.071  -1.471   6.828
  445    HG3  LYS  69           1HG      LYS  69  -0.853  -0.226   5.595
  446    HD2  LYS  69           2HD      LYS  69  -3.073  -0.840   5.314
  447    HD3  LYS  69           1HD      LYS  69  -2.251  -1.817   4.096
  448    HE2  LYS  69           2HE      LYS  69  -3.930  -3.101   5.351
  449    HE3  LYS  69           1HE      LYS  69  -2.298  -3.738   5.576
  450    HZ1  LYS  69           3HZ      LYS  69  -3.842  -3.409   7.607
  451    HZ2  LYS  69           1HZ      LYS  69  -3.373  -1.785   7.490
  452    HZ3  LYS  69           2HZ      LYS  69  -2.202  -2.987   7.725
  453    H    ALA  70           H        ALA  70   2.373  -0.603   4.418
  454    HA   ALA  70           HA       ALA  70   4.206  -1.423   2.455
  455    HB1  ALA  70           1HB      ALA  70   4.630   0.565   3.713
  456    HB2  ALA  70           2HB      ALA  70   4.669  -0.341   5.227
  457    HB3  ALA  70           3HB      ALA  70   5.938  -0.576   4.024
  458    H    SER  71           H        SER  71   3.276  -2.856   5.517
  459    HA   SER  71           HA       SER  71   5.405  -4.717   5.693
  460    HB2  SER  71           2HB      SER  71   4.375  -5.398   7.598
  461    HB3  SER  71           1HB      SER  71   3.342  -3.991   7.351
  462    HG   SER  71           HG       SER  71   1.735  -5.320   7.120
  463    H    LEU  72           H        LEU  72   2.270  -4.709   4.129
  464    HA   LEU  72           HA       LEU  72   2.371  -7.437   3.280
  465    HB2  LEU  72           2HB      LEU  72   0.486  -5.313   3.256
  466    HB3  LEU  72           1HB      LEU  72   0.682  -5.861   1.602
  467    HG   LEU  72           HG       LEU  72  -1.046  -7.193   2.301
  468   HD11  LEU  72          1HD1      LEU  72  -0.195  -9.212   1.925
  469   HD12  LEU  72          2HD1      LEU  72   1.392  -8.443   1.975
  470   HD13  LEU  72          3HD1      LEU  72   0.728  -9.190   3.428
  471   HD21  LEU  72          3HD2      LEU  72  -1.587  -6.911   4.459
  472   HD22  LEU  72          1HD2      LEU  72  -0.596  -8.342   4.741
  473   HD23  LEU  72          2HD2      LEU  72   0.096  -6.734   4.958
  474    H    ILE  73           H        ILE  73   3.187  -4.319   1.863
  475    HA   ILE  73           HA       ILE  73   3.800  -5.208  -0.723
  476    HB   ILE  73           HB       ILE  73   4.622  -2.849   0.919
  477   HG12  ILE  73          2HG1      ILE  73   3.682  -2.539  -1.850
  478   HG13  ILE  73          1HG1      ILE  73   2.551  -3.378  -0.793
  479   HG21  ILE  73          1HG2      ILE  73   5.754  -3.303  -1.831
  480   HG22  ILE  73          2HG2      ILE  73   6.128  -2.005  -0.697
  481   HG23  ILE  73          3HG2      ILE  73   6.652  -3.654  -0.354
  482   HD11  ILE  73          3HD1      ILE  73   1.848  -1.317  -0.305
  483   HD12  ILE  73          1HD1      ILE  73   3.254  -1.269   0.757
  484   HD13  ILE  73          2HD1      ILE  73   3.344  -0.564  -0.859
  485    H    ASP  74           H        ASP  74   5.725  -5.002   2.210
  486    HA   ASP  74           HA       ASP  74   8.097  -6.116   1.048
  487    HB2  ASP  74           2HB      ASP  74   7.753  -4.602   3.184
  488    HB3  ASP  74           1HB      ASP  74   7.577  -6.158   3.989
  489    H    GLN  75           H        GLN  75   5.178  -7.436   1.859
  490    HA   GLN  75           HA       GLN  75   6.239  -9.966   2.847
  491    HB2  GLN  75           2HB      GLN  75   4.010  -8.563   3.525
  492    HB3  GLN  75           1HB      GLN  75   3.347  -9.709   2.369
  493    HG2  GLN  75           2HG      GLN  75   3.183 -10.501   4.671
  494    HG3  GLN  75           1HG      GLN  75   4.170 -11.560   3.665
  495   HE21  GLN  75          1HE2      GLN  75   5.217  -8.484   4.978
  496   HE22  GLN  75          2HE2      GLN  75   6.419  -9.142   6.041
  497    H    LEU  76           H        LEU  76   4.072  -8.833   0.228
  498    HA   LEU  76           HA       LEU  76   4.667 -11.369  -1.160
  499    HB2  LEU  76           2HB      LEU  76   2.084 -10.021  -0.613
  500    HB3  LEU  76           1HB      LEU  76   2.258 -10.804  -2.169
  501    HG   LEU  76           HG       LEU  76   1.316 -12.496  -0.948
  502   HD11  LEU  76          1HD1      LEU  76   3.567 -13.188  -1.839
  503   HD12  LEU  76          2HD1      LEU  76   4.189 -12.976  -0.201
  504   HD13  LEU  76          3HD1      LEU  76   2.933 -14.174  -0.519
  505   HD21  LEU  76          3HD2      LEU  76   1.237 -12.648   1.306
  506   HD22  LEU  76          1HD2      LEU  76   2.938 -12.231   1.504
  507   HD23  LEU  76          2HD2      LEU  76   1.750 -10.964   1.200
  508    H    GLY  77           H        GLY  77   4.966  -8.055  -1.370
  509    HA2  GLY  77           1HA      GLY  77   5.643  -6.682  -3.085
  510    HA3  GLY  77           2HA      GLY  77   5.934  -8.137  -4.025
  511    H    LEU  78           H        LEU  78   2.985  -6.649  -2.703
  512    HA   LEU  78           HA       LEU  78   1.434  -7.405  -4.964
  513    HB2  LEU  78           2HB      LEU  78   0.855  -5.532  -2.678
  514    HB3  LEU  78           1HB      LEU  78  -0.322  -5.956  -3.907
  515    HG   LEU  78           HG       LEU  78   0.452  -8.422  -3.062
  516   HD11  LEU  78          1HD1      LEU  78   1.540  -6.725  -1.158
  517   HD12  LEU  78          2HD1      LEU  78   0.049  -7.311  -0.418
  518   HD13  LEU  78          3HD1      LEU  78   1.262  -8.458  -0.990
  519   HD21  LEU  78          3HD2      LEU  78  -1.719  -6.797  -1.754
  520   HD22  LEU  78          1HD2      LEU  78  -1.836  -7.455  -3.387
  521   HD23  LEU  78          2HD2      LEU  78  -1.675  -8.541  -2.008
  522    H    LEU  79           H        LEU  79   2.148  -6.489  -6.851
  523    HA   LEU  79           HA       LEU  79   2.596  -3.635  -6.983
  524    HB2  LEU  79           2HB      LEU  79   2.696  -4.497  -9.574
  525    HB3  LEU  79           1HB      LEU  79   4.064  -4.404  -8.483
  526    HG   LEU  79           HG       LEU  79   2.997  -6.895  -7.929
  527   HD11  LEU  79          1HD1      LEU  79   2.351  -6.114 -10.688
  528   HD12  LEU  79          2HD1      LEU  79   3.156  -7.673 -10.510
  529   HD13  LEU  79          3HD1      LEU  79   1.642  -7.360  -9.660
  530   HD21  LEU  79          3HD2      LEU  79   5.052  -6.850 -10.019
  531   HD22  LEU  79          1HD2      LEU  79   5.401  -5.824  -8.627
  532   HD23  LEU  79          2HD2      LEU  79   5.096  -7.545  -8.398
  533    H    ALA  80           H        ALA  80  -0.133  -4.953  -6.551
  534    HA   ALA  80           HA       ALA  80  -1.637  -4.154  -8.877
  535    HB1  ALA  80           1HB      ALA  80  -2.480  -6.035  -7.704
  536    HB2  ALA  80           2HB      ALA  80  -2.470  -5.170  -6.169
  537    HB3  ALA  80           3HB      ALA  80  -3.619  -4.716  -7.430
  538    H    LEU  81           H        LEU  81  -0.651  -2.747  -5.868
  539    HA   LEU  81           HA       LEU  81  -2.274  -0.375  -6.490
  540    HB2  LEU  81           2HB      LEU  81  -1.997  -0.068  -3.871
  541    HB3  LEU  81           1HB      LEU  81  -3.346  -0.927  -4.594
  542    HG   LEU  81           HG       LEU  81  -1.220  -2.780  -4.197
  543   HD11  LEU  81          1HD1      LEU  81  -1.731  -2.343  -1.511
  544   HD12  LEU  81          2HD1      LEU  81  -0.218  -2.026  -2.362
  545   HD13  LEU  81          3HD1      LEU  81  -1.402  -0.734  -2.157
  546   HD21  LEU  81          3HD2      LEU  81  -3.857  -2.840  -4.234
  547   HD22  LEU  81          1HD2      LEU  81  -2.912  -4.057  -3.371
  548   HD23  LEU  81          2HD2      LEU  81  -3.642  -2.716  -2.487
  549    H    VAL  82           H        VAL  82   0.797  -1.554  -6.277
  550    HA   VAL  82           HA       VAL  82   1.862   0.978  -5.275
  551    HB   VAL  82           HB       VAL  82   2.569  -1.306  -4.258
  552   HG11  VAL  82          1HG1      VAL  82   3.109  -2.245  -6.561
  553   HG12  VAL  82          2HG1      VAL  82   4.565  -1.254  -6.501
  554   HG13  VAL  82          3HG1      VAL  82   4.301  -2.510  -5.290
  555   HG21  VAL  82          3HG2      VAL  82   4.921  -0.417  -3.959
  556   HG22  VAL  82          1HG2      VAL  82   4.459   0.893  -5.047
  557   HG23  VAL  82          2HG2      VAL  82   3.608   0.673  -3.517
  558    H    ASP  83           H        ASP  83   3.191   2.206  -6.453
  559    HA   ASP  83           HA       ASP  83   3.877   1.298  -9.165
  560    HB2  ASP  83           2HB      ASP  83   1.950   3.112  -8.820
  561    HB3  ASP  83           1HB      ASP  83   3.329   4.195  -8.689
  562    H    HIS  84           H        HIS  84   5.572   2.964 -10.080
  563    HA   HIS  84           HA       HIS  84   7.438   3.677  -7.928
  564    HB2  HIS  84           2HB      HIS  84   7.887   1.408  -9.245
  565    HB3  HIS  84           1HB      HIS  84   8.591   2.517 -10.420
  566    HD1  HIS  84           1HD      HIS  84   9.300   0.784  -7.287
  567    HD2  HIS  84           2HD      HIS  84  10.766   4.107  -9.322
  568    HE1  HIS  84           1HE      HIS  84  11.486   1.354  -6.179
  569    HE2  HIS  84           2HE      HIS  84  12.461   3.190  -7.601
  570    H    THR  85           H        THR  85   7.486   5.810  -8.096
  571    HA   THR  85           HA       THR  85   7.549   7.180 -10.630
  572    HB   THR  85           HB       THR  85   8.072   9.182  -9.129
  573    HG1  THR  85           1HG      THR  85   7.882   8.839  -6.911
  574   HG21  THR  85          3HG2      THR  85   5.798   9.364  -8.328
  575   HG22  THR  85          1HG2      THR  85   5.585   7.615  -8.422
  576   HG23  THR  85          2HG2      THR  85   5.782   8.562  -9.899
  577    H    GLU  86           H        GLU  86   9.510   9.076 -10.405
  578    HA   GLU  86           HA       GLU  86  11.948   7.589 -10.726
  579    HB2  GLU  86           2HB      GLU  86  11.700  10.587 -10.478
  580    HB3  GLU  86           1HB      GLU  86  12.977   9.674 -11.269
  581    HG2  GLU  86           2HG      GLU  86  11.868  10.156 -13.142
  582    HG3  GLU  86           1HG      GLU  86  10.799   8.840 -12.656
  583    H    GLU  87           H        GLU  87  10.634   7.453  -8.132
  584    HA   GLU  87           HA       GLU  87  12.843   8.384  -6.439
  585    HB2  GLU  87           2HB      GLU  87   9.879   8.480  -5.918
  586    HB3  GLU  87           1HB      GLU  87  11.046   8.499  -4.603
  587    HG2  GLU  87           2HG      GLU  87  11.734  10.444  -6.611
  588    HG3  GLU  87           1HG      GLU  87  10.082  10.674  -6.038
  589    H    GLY  88           H        GLY  88  10.191   6.707  -5.053
  590    HA2  GLY  88           1HA      GLY  88  11.584   4.127  -5.290
  591    HA3  GLY  88           2HA      GLY  88  11.114   4.736  -3.705
  592    HA   PRO  89           HA       PRO  89   7.515   2.238  -5.210
  593    HB2  PRO  89           2HB      PRO  89   7.394   1.388  -2.408
  594    HB3  PRO  89           1HB      PRO  89   7.493   0.402  -3.869
  595    HG2  PRO  89           2HG      PRO  89   9.550   0.626  -2.129
  596    HG3  PRO  89           1HG      PRO  89   9.791   0.394  -3.871
  597    HD2  PRO  89           2HD      PRO  89   9.996   2.906  -2.245
  598    HD3  PRO  89           1HD      PRO  89  11.021   2.341  -3.583
  599    H    VAL  90           H        VAL  90   5.746   3.453  -5.340
  600    HA   VAL  90           HA       VAL  90   4.973   5.032  -2.985
  601    HB   VAL  90           HB       VAL  90   4.194   6.789  -4.701
  602   HG11  VAL  90          1HG1      VAL  90   5.833   7.840  -3.625
  603   HG12  VAL  90          2HG1      VAL  90   6.732   6.338  -3.408
  604   HG13  VAL  90          3HG1      VAL  90   6.936   7.282  -4.882
  605   HG21  VAL  90          3HG2      VAL  90   4.533   5.473  -6.710
  606   HG22  VAL  90          1HG2      VAL  90   5.590   6.885  -6.740
  607   HG23  VAL  90          2HG2      VAL  90   6.249   5.296  -6.340
  608    H    CYS  91           H        CYS  91   2.743   5.971  -3.278
  609    HA   CYS  91           HA       CYS  91   0.873   3.897  -3.728
  610    HB2  CYS  91           2HB      CYS  91   0.770   6.049  -2.205
  611    HB3  CYS  91           1HB      CYS  91   0.052   6.772  -3.638
  612    H    LYS  92           H        LYS  92   0.117   3.222  -5.600
  613    HA   LYS  92           HA       LYS  92   0.681   4.535  -8.053
  614    HB2  LYS  92           2HB      LYS  92   0.402   2.053  -7.688
  615    HB3  LYS  92           1HB      LYS  92  -1.328   2.339  -7.579
  616    HG2  LYS  92           2HG      LYS  92  -1.543   2.760  -9.812
  617    HG3  LYS  92           1HG      LYS  92   0.117   3.339  -9.974
  618    HD2  LYS  92           2HD      LYS  92   0.981   1.124  -9.863
  619    HD3  LYS  92           1HD      LYS  92  -0.600   0.472  -9.425
  620    HE2  LYS  92           2HE      LYS  92  -0.239  -0.004 -11.733
  621    HE3  LYS  92           1HE      LYS  92  -1.452   1.273 -11.635
  622    HZ1  LYS  92           3HZ      LYS  92   1.061   1.299 -12.924
  623    HZ2  LYS  92           1HZ      LYS  92   1.012   2.540 -11.764
  624    HZ3  LYS  92           2HZ      LYS  92  -0.171   2.454 -12.979
  625    H    ASN  93           H        ASN  93  -2.023   4.567  -5.863
  626    HA   ASN  93           HA       ASN  93  -3.412   6.487  -7.533
  627    HB2  ASN  93           2HB      ASN  93  -4.114   3.700  -7.536
  628    HB3  ASN  93           1HB      ASN  93  -5.431   4.641  -6.848
  629   HD21  ASN  93          1HD2      ASN  93  -3.505   4.044  -9.658
  630   HD22  ASN  93          2HD2      ASN  93  -4.515   4.870 -10.781
  631    H    ILE  94           H        ILE  94  -5.280   4.590  -5.379
  632    HA   ILE  94           HA       ILE  94  -6.059   7.003  -4.043
  633    HB   ILE  94           HB       ILE  94  -6.966   4.150  -3.660
  634   HG12  ILE  94          2HG1      ILE  94  -8.839   5.991  -4.897
  635   HG13  ILE  94          1HG1      ILE  94  -7.344   5.870  -5.821
  636   HG21  ILE  94          1HG2      ILE  94  -8.357   4.800  -2.056
  637   HG22  ILE  94          2HG2      ILE  94  -7.397   6.277  -1.965
  638   HG23  ILE  94          3HG2      ILE  94  -8.854   6.232  -2.959
  639   HD11  ILE  94          3HD1      ILE  94  -8.368   3.292  -4.949
  640   HD12  ILE  94          1HD1      ILE  94  -9.475   4.175  -6.001
  641   HD13  ILE  94          2HD1      ILE  94  -7.833   3.825  -6.541
  642    H    VAL  95           H        VAL  95  -5.316   7.751  -2.170
  643    HA   VAL  95           HA       VAL  95  -3.656   6.043  -0.483
  644    HB   VAL  95           HB       VAL  95  -2.484   7.940  -0.278
  645   HG11  VAL  95          1HG1      VAL  95  -4.410  10.049  -0.805
  646   HG12  VAL  95          2HG1      VAL  95  -2.890   9.667  -1.618
  647   HG13  VAL  95          3HG1      VAL  95  -4.373   8.825  -2.074
  648   HG21  VAL  95          3HG2      VAL  95  -4.510   9.537   1.141
  649   HG22  VAL  95          1HG2      VAL  95  -4.197   7.938   1.817
  650   HG23  VAL  95          2HG2      VAL  95  -2.873   9.087   1.619
  651    H    ALA  96           H        ALA  96  -4.281   5.275   1.465
  652    HA   ALA  96           HA       ALA  96  -6.703   6.233   2.732
  653    HB1  ALA  96           1HB      ALA  96  -8.105   4.594   2.146
  654    HB2  ALA  96           2HB      ALA  96  -6.963   4.242   0.850
  655    HB3  ALA  96           3HB      ALA  96  -6.875   3.348   2.369
  656    H    CYS  97           H        CYS  97  -7.071   5.206   4.827
  657    HA   CYS  97           HA       CYS  97  -4.546   4.233   5.986
  658    HB2  CYS  97           2HB      CYS  97  -6.195   6.323   6.795
  659    HB3  CYS  97           1HB      CYS  97  -6.588   5.020   7.912
  660    H    CYS  98           H        CYS  98  -4.448   2.176   6.451
  661    HA   CYS  98           HA       CYS  98  -6.933   0.682   6.985
  662    HB2  CYS  98           2HB      CYS  98  -5.921   0.491   4.608
  663    HB3  CYS  98           1HB      CYS  98  -4.663  -0.463   5.387
  664    HA   PRO  99           HA       PRO  99  -4.335  -0.474  10.449
  665    HB2  PRO  99           2HB      PRO  99  -6.213  -1.837  11.825
  666    HB3  PRO  99           1HB      PRO  99  -6.212  -0.073  11.728
  667    HG2  PRO  99           2HG      PRO  99  -7.831  -2.045  10.165
  668    HG3  PRO  99           1HG      PRO  99  -8.354  -0.534  10.935
  669    HD2  PRO  99           2HD      PRO  99  -7.810  -0.727   8.279
  670    HD3  PRO  99           1HD      PRO  99  -7.559   0.764   9.209
  671    H    GLU 100           H        GLU 100  -3.104  -2.273  10.951
  672    HA   GLU 100           HA       GLU 100  -3.618  -4.720   9.459
  673    HB2  GLU 100           2HB      GLU 100  -1.304  -3.460  10.500
  674    HB3  GLU 100           1HB      GLU 100  -1.467  -4.996  11.340
  675    HG2  GLU 100           2HG      GLU 100  -0.392  -5.869   9.592
  676    HG3  GLU 100           1HG      GLU 100  -1.921  -5.703   8.724
  677    H    GLY 101           H        GLY 101  -4.565  -6.483  10.276
  678    HA2  GLY 101           1HA      GLY 101  -4.613  -7.930  12.356
  679    HA3  GLY 101           2HA      GLY 101  -5.172  -6.471  13.164
  680    H    THR 102           H        THR 102  -7.081  -5.419  11.878
  681    HA   THR 102           HA       THR 102  -8.817  -7.084  10.372
  682    HB   THR 102           HB       THR 102 -10.459  -6.426  12.633
  683    HG1  THR 102           1HG      THR 102  -8.219  -8.098  13.215
  684   HG21  THR 102          3HG2      THR 102  -9.672  -8.988  11.257
  685   HG22  THR 102          1HG2      THR 102 -11.148  -8.048  11.046
  686   HG23  THR 102          2HG2      THR 102 -10.866  -8.920  12.554
  687    H    THR 103           H        THR 103 -11.046  -5.976  10.226
  688    HA   THR 103           HA       THR 103 -12.401  -4.172   9.986
  689    HB   THR 103           HB       THR 103 -10.256  -2.454  11.246
  690    HG1  THR 103           1HG      THR 103 -10.754  -3.453  13.030
  691   HG21  THR 103          3HG2      THR 103 -12.888  -1.598  11.853
  692   HG22  THR 103          1HG2      THR 103 -12.802  -1.863  10.111
  693   HG23  THR 103          2HG2      THR 103 -11.662  -0.767  10.893
  694    H    ASN 104           H        ASN 104 -12.788  -2.688   8.457
  695    HA   ASN 104           HA       ASN 104 -11.128  -2.809   6.157
  696    HB2  ASN 104           2HB      ASN 104 -12.966  -0.894   5.547
  697    HB3  ASN 104           1HB      ASN 104 -13.262  -2.622   5.409
  698   HD21  ASN 104          1HD2      ASN 104 -14.046   0.282   7.038
  699   HD22  ASN 104          2HD2      ASN 104 -15.256  -0.373   8.094
  700    H    CYS 105           H        CYS 105 -10.876  -0.623   4.890
  701    HA   CYS 105           HA       CYS 105  -9.330   1.126   6.688
  702    HB2  CYS 105           2HB      CYS 105  -8.740   1.321   3.828
  703    HB3  CYS 105           1HB      CYS 105  -7.648   1.073   5.187
  704    H    VAL 106           H        VAL 106  -9.563   3.306   6.591
  705    HA   VAL 106           HA       VAL 106 -11.890   4.341   5.207
  706    HB   VAL 106           HB       VAL 106 -11.717   6.279   6.550
  707   HG11  VAL 106          1HG1      VAL 106 -10.748   3.982   8.244
  708   HG12  VAL 106          2HG1      VAL 106 -11.582   5.426   8.821
  709   HG13  VAL 106          3HG1      VAL 106 -12.421   4.284   7.773
  710   HG21  VAL 106          3HG2      VAL 106  -9.779   7.261   7.014
  711   HG22  VAL 106          1HG2      VAL 106  -9.337   5.922   8.073
  712   HG23  VAL 106          2HG2      VAL 106  -8.914   5.868   6.361
  713    H    ALA 107           H        ALA 107 -11.830   6.023   3.687
  714    HA   ALA 107           HA       ALA 107  -9.229   6.294   2.345
  715    HB1  ALA 107           1HB      ALA 107 -10.221   5.924   0.388
  716    HB2  ALA 107           2HB      ALA 107 -11.605   5.361   1.323
  717    HB3  ALA 107           3HB      ALA 107 -11.546   7.029   0.755
  718    H    VAL 108           H        VAL 108  -8.303   8.188   2.449
  719    HA   VAL 108           HA       VAL 108  -9.943  10.580   2.958
  720    HB   VAL 108           HB       VAL 108  -7.462  11.516   3.343
  721   HG11  VAL 108          1HG1      VAL 108  -9.612  10.612   4.994
  722   HG12  VAL 108          2HG1      VAL 108  -8.077  10.272   5.795
  723   HG13  VAL 108          3HG1      VAL 108  -8.460  11.915   5.279
  724   HG21  VAL 108          3HG2      VAL 108  -7.200   8.708   4.380
  725   HG22  VAL 108          1HG2      VAL 108  -6.572   9.194   2.806
  726   HG23  VAL 108          2HG2      VAL 108  -5.964   9.966   4.272
  727    H    ASP 109           H        ASP 109  -9.701   9.319   0.420
  728    HA   ASP 109           HA       ASP 109  -7.716  10.622  -1.187
  729    HB2  ASP 109           2HB      ASP 109  -8.927   9.492  -3.077
  730    HB3  ASP 109           1HB      ASP 109  -8.369   8.404  -1.815
  731    H    ASN 110           H        ASN 110 -10.717  11.532  -0.009
  732    HA   ASN 110           HA       ASN 110 -11.760  13.043  -2.126
  733    HB2  ASN 110           2HB      ASN 110 -12.757  14.389  -0.053
  734    HB3  ASN 110           1HB      ASN 110 -13.361  12.805  -0.523
  735   HD21  ASN 110          1HD2      ASN 110 -13.158  11.117   0.851
  736   HD22  ASN 110          2HD2      ASN 110 -12.407  11.230   2.411
  737    H    ALA 111           H        ALA 111  -9.832  14.074   0.626
  738    HA   ALA 111           HA       ALA 111  -9.339  16.640  -0.693
  739    HB1  ALA 111           1HB      ALA 111  -8.749  17.514   1.390
  740    HB2  ALA 111           2HB      ALA 111 -10.103  16.437   1.731
  741    HB3  ALA 111           3HB      ALA 111  -8.455  15.916   2.077
  742    H    GLY 112           H        GLY 112  -8.112  14.604  -1.962
  743    HA2  GLY 112           1HA      GLY 112  -5.306  15.277  -1.540
  744    HA3  GLY 112           2HA      GLY 112  -5.734  13.572  -1.476
  745    H    ALA 113           H        ALA 113  -6.258  16.416  -3.547
  746    HA   ALA 113           HA       ALA 113  -6.700  14.771  -5.870
  747    HB1  ALA 113           1HB      ALA 113  -7.729  16.585  -6.637
  748    HB2  ALA 113           2HB      ALA 113  -7.337  17.389  -5.116
  749    HB3  ALA 113           3HB      ALA 113  -6.253  17.542  -6.498
  750    H    GLY 114           H        GLY 114  -4.475  13.779  -5.420
  751    HA2  GLY 114           1HA      GLY 114  -2.725  13.964  -7.385
  752    HA3  GLY 114           2HA      GLY 114  -2.262  15.389  -6.460
  753    H    THR 115           H        THR 115  -2.439  11.904  -6.477
  754    HA   THR 115           HA       THR 115  -1.339  11.608  -3.855
  755    HB   THR 115           HB       THR 115  -2.880   9.941  -4.873
  756    HG1  THR 115           1HG      THR 115  -1.728   8.130  -4.080
  757   HG21  THR 115          3HG2      THR 115  -1.130   8.265  -6.263
  758   HG22  THR 115          1HG2      THR 115  -0.868   9.878  -6.929
  759   HG23  THR 115          2HG2      THR 115  -2.486   9.179  -6.922
  760    H    LYS 116           H        LYS 116   0.676  11.967  -3.345
  761    HA   LYS 116           HA       LYS 116   2.938  12.014  -3.336
  762    HB2  LYS 116           2HB      LYS 116   3.076   9.974  -5.520
  763    HB3  LYS 116           1HB      LYS 116   4.096  10.155  -4.102
  764    HG2  LYS 116           2HG      LYS 116   1.222   9.351  -3.841
  765    HG3  LYS 116           1HG      LYS 116   2.479   8.166  -4.205
  766    HD2  LYS 116           2HD      LYS 116   3.351   8.262  -2.123
  767    HD3  LYS 116           1HD      LYS 116   3.052   9.996  -1.965
  768    HE2  LYS 116           2HE      LYS 116   1.128   7.725  -1.546
  769    HE3  LYS 116           1HE      LYS 116   1.657   8.930  -0.376
  770    HZ1  LYS 116           3HZ      LYS 116  -0.544   9.457  -1.104
  771    HZ2  LYS 116           1HZ      LYS 116  -0.096   9.387  -2.738
  772    HZ3  LYS 116           2HZ      LYS 116   0.506  10.623  -1.746
  773    H    ALA 117           H        ALA 117   1.755  13.947  -4.855
  774    HA   ALA 117           HA       ALA 117   3.509  14.163  -7.203
  775    HB1  ALA 117           1HB      ALA 117   1.438  14.072  -8.179
  776    HB2  ALA 117           2HB      ALA 117   0.640  14.870  -6.822
  777    HB3  ALA 117           3HB      ALA 117   1.618  15.810  -7.951
  778    H    GLU 118           H        GLU 118   4.558  16.073  -7.579
  779    HA   GLU 118           HA       GLU 118   4.021  18.373  -5.897
  780    HB2  GLU 118           2HB      GLU 118   6.351  18.645  -5.217
  781    HB3  GLU 118           1HB      GLU 118   5.728  17.106  -4.639
  782    HG2  GLU 118           2HG      GLU 118   6.793  16.106  -6.743
  783    HG3  GLU 118           1HG      GLU 118   7.679  17.625  -6.848
  Start of MODEL   19
    1    H1   SER   1           1H       SER   1  21.041 -10.689   0.650
    2    H2   SER   1           2H       SER   1  20.540 -11.231   2.180
    3    H3   SER   1           3H       SER   1  20.461  -9.584   1.801
    4    HA   SER   1           HA       SER   1  18.290 -10.232   1.566
    5    HB2  SER   1           2HB      SER   1  19.419 -10.741  -1.194
    6    HB3  SER   1           1HB      SER   1  17.823 -10.104  -0.793
    7    HG   SER   1           HG       SER   1  18.947  -8.271   0.143
    8    H    LEU   2           H        LEU   2  16.808 -11.845   1.593
    9    HA   LEU   2           HA       LEU   2  17.728 -14.544   1.672
   10    HB2  LEU   2           2HB      LEU   2  15.561 -13.168   2.688
   11    HB3  LEU   2           1HB      LEU   2  14.839 -14.177   1.449
   12    HG   LEU   2           HG       LEU   2  16.612 -15.807   2.963
   13   HD11  LEU   2          1HD1      LEU   2  16.506 -15.047   5.038
   14   HD12  LEU   2          2HD1      LEU   2  15.472 -13.711   4.530
   15   HD13  LEU   2          3HD1      LEU   2  14.753 -15.251   4.998
   16   HD21  LEU   2          3HD2      LEU   2  14.841 -17.228   2.980
   17   HD22  LEU   2          1HD2      LEU   2  13.678 -15.954   3.353
   18   HD23  LEU   2          2HD2      LEU   2  14.289 -16.138   1.709
   19    HA   PRO   3           HA       PRO   3  17.102 -15.551  -2.602
   20    HB2  PRO   3           2HB      PRO   3  17.040 -18.359  -1.794
   21    HB3  PRO   3           1HB      PRO   3  18.275 -17.493  -2.710
   22    HG2  PRO   3           2HG      PRO   3  18.711 -18.371  -0.195
   23    HG3  PRO   3           1HG      PRO   3  19.436 -16.874  -0.816
   24    HD2  PRO   3           2HD      PRO   3  17.001 -17.221   0.907
   25    HD3  PRO   3           1HD      PRO   3  18.351 -16.075   1.089
   26    H    ALA   4           H        ALA   4  15.754 -17.296  -3.847
   27    HA   ALA   4           HA       ALA   4  13.749 -18.048  -4.560
   28    HB1  ALA   4           1HB      ALA   4  13.273 -18.229  -1.605
   29    HB2  ALA   4           2HB      ALA   4  12.026 -18.657  -2.776
   30    HB3  ALA   4           3HB      ALA   4  13.561 -19.526  -2.764
   31    H    SER   5           H        SER   5  12.755 -16.043  -1.786
   32    HA   SER   5           HA       SER   5  10.639 -14.819  -3.258
   33    HB2  SER   5           2HB      SER   5  11.180 -13.314  -0.932
   34    HB3  SER   5           1HB      SER   5   9.943 -14.555  -1.142
   35    HG   SER   5           HG       SER   5  12.608 -14.898  -0.221
   36    H    ALA   6           H        ALA   6  10.475 -12.734  -4.049
   37    HA   ALA   6           HA       ALA   6  12.929 -11.449  -4.812
   38    HB1  ALA   6           1HB      ALA   6  11.284 -11.370  -6.470
   39    HB2  ALA   6           2HB      ALA   6  10.026 -10.882  -5.333
   40    HB3  ALA   6           3HB      ALA   6  11.286  -9.737  -5.800
   41    H    ALA   7           H        ALA   7  13.445 -11.238  -2.411
   42    HA   ALA   7           HA       ALA   7  12.045  -9.267  -0.879
   43    HB1  ALA   7           1HB      ALA   7  13.484 -11.334  -0.131
   44    HB2  ALA   7           2HB      ALA   7  14.795 -10.155  -0.166
   45    HB3  ALA   7           3HB      ALA   7  13.393  -9.883   0.869
   46    H    LYS   8           H        LYS   8  14.053  -8.881  -3.454
   47    HA   LYS   8           HA       LYS   8  15.553  -6.622  -2.437
   48    HB2  LYS   8           2HB      LYS   8  15.477  -8.159  -4.975
   49    HB3  LYS   8           1HB      LYS   8  15.951  -6.472  -5.096
   50    HG2  LYS   8           2HG      LYS   8  17.255  -8.440  -3.233
   51    HG3  LYS   8           1HG      LYS   8  17.841  -8.079  -4.859
   52    HD2  LYS   8           2HD      LYS   8  17.839  -5.627  -4.093
   53    HD3  LYS   8           1HD      LYS   8  17.715  -6.281  -2.458
   54    HE2  LYS   8           2HE      LYS   8  19.790  -7.398  -2.644
   55    HE3  LYS   8           1HE      LYS   8  19.850  -7.156  -4.389
   56    HZ1  LYS   8           3HZ      LYS   8  20.509  -4.993  -4.160
   57    HZ2  LYS   8           1HZ      LYS   8  21.232  -5.653  -2.775
   58    HZ3  LYS   8           2HZ      LYS   8  19.776  -4.796  -2.642
   59    H    ASN   9           H        ASN   9  12.455  -7.083  -3.282
   60    HA   ASN   9           HA       ASN   9  12.062  -4.522  -4.617
   61    HB2  ASN   9           2HB      ASN   9  10.115  -5.373  -5.388
   62    HB3  ASN   9           1HB      ASN   9  10.764  -6.921  -4.869
   63   HD21  ASN   9          1HD2      ASN   9   9.995  -7.857  -2.954
   64   HD22  ASN   9          2HD2      ASN   9   8.518  -7.338  -2.220
   65    H    ALA  10           H        ALA  10  11.991  -5.894  -1.489
   66    HA   ALA  10           HA       ALA  10  10.071  -4.184  -0.278
   67    HB1  ALA  10           1HB      ALA  10  10.331  -5.575   1.435
   68    HB2  ALA  10           2HB      ALA  10  11.519  -6.446   0.466
   69    HB3  ALA  10           3HB      ALA  10  12.044  -5.178   1.574
   70    H    LYS  11           H        LYS  11  10.531  -2.040  -0.680
   71    HA   LYS  11           HA       LYS  11  13.069  -1.039   0.419
   72    HB2  LYS  11           2HB      LYS  11  11.325  -0.034  -1.805
   73    HB3  LYS  11           1HB      LYS  11  12.447   1.039  -0.987
   74    HG2  LYS  11           2HG      LYS  11  14.260   0.107  -1.939
   75    HG3  LYS  11           1HG      LYS  11  13.576  -1.519  -1.903
   76    HD2  LYS  11           2HD      LYS  11  11.996  -0.062  -3.702
   77    HD3  LYS  11           1HD      LYS  11  13.664   0.386  -4.060
   78    HE2  LYS  11           2HE      LYS  11  13.198  -2.487  -3.621
   79    HE3  LYS  11           1HE      LYS  11  12.423  -1.807  -5.053
   80    HZ1  LYS  11           3HZ      LYS  11  15.317  -1.646  -4.379
   81    HZ2  LYS  11           1HZ      LYS  11  14.588  -0.916  -5.728
   82    HZ3  LYS  11           2HZ      LYS  11  14.620  -2.604  -5.588
   83    H    LEU  12           H        LEU  12  10.318   0.960  -0.345
   84    HA   LEU  12           HA       LEU  12   9.059   2.407   0.859
   85    HB2  LEU  12           2HB      LEU  12   8.957   0.014   2.288
   86    HB3  LEU  12           1HB      LEU  12   9.332   1.228   3.494
   87    HG   LEU  12           HG       LEU  12   6.881   0.704   3.190
   88   HD11  LEU  12          1HD1      LEU  12   7.294   2.659   4.356
   89   HD12  LEU  12          2HD1      LEU  12   8.013   3.459   2.956
   90   HD13  LEU  12          3HD1      LEU  12   6.270   3.202   3.027
   91   HD21  LEU  12          3HD2      LEU  12   6.666   2.507   0.900
   92   HD22  LEU  12          1HD2      LEU  12   7.393   0.945   0.522
   93   HD23  LEU  12          2HD2      LEU  12   5.791   1.016   1.260
   94    H    ALA  13           H        ALA  13  12.218   2.117   1.136
   95    HA   ALA  13           HA       ALA  13  12.486   4.241   3.157
   96    HB1  ALA  13           1HB      ALA  13  14.223   1.932   2.442
   97    HB2  ALA  13           2HB      ALA  13  15.001   3.429   2.954
   98    HB3  ALA  13           3HB      ALA  13  13.854   2.625   4.023
   99    H    THR  14           H        THR  14  13.298   3.165  -0.068
  100    HA   THR  14           HA       THR  14  14.851   5.476  -0.736
  101    HB   THR  14           HB       THR  14  13.738   4.042  -3.004
  102    HG1  THR  14           1HG      THR  14  15.400   2.292  -1.685
  103   HG21  THR  14          3HG2      THR  14  16.153   3.642  -3.452
  104   HG22  THR  14          1HG2      THR  14  16.529   4.376  -1.891
  105   HG23  THR  14          2HG2      THR  14  15.774   5.340  -3.161
  106    H    SER  15           H        SER  15  11.506   4.648  -0.713
  107    HA   SER  15           HA       SER  15  10.697   6.612  -2.653
  108    HB2  SER  15           2HB      SER  15   8.645   5.658  -0.796
  109    HB3  SER  15           1HB      SER  15   8.705   5.560  -2.554
  110    HG   SER  15           HG       SER  15   8.800   3.492  -1.794
  111    H    ALA  16           H        ALA  16  11.911   8.372  -1.546
  112    HA   ALA  16           HA       ALA  16  11.164   9.457   0.917
  113    HB1  ALA  16           1HB      ALA  16  13.123  10.268  -0.215
  114    HB2  ALA  16           2HB      ALA  16  12.160  10.818  -1.584
  115    HB3  ALA  16           3HB      ALA  16  12.001  11.615  -0.020
  116    H    ALA  17           H        ALA  17   9.650   9.536  -2.201
  117    HA   ALA  17           HA       ALA  17   7.792  11.603  -1.780
  118    HB1  ALA  17           1HB      ALA  17   6.910  10.997  -3.782
  119    HB2  ALA  17           2HB      ALA  17   8.459  10.163  -3.909
  120    HB3  ALA  17           3HB      ALA  17   7.014   9.273  -3.432
  121    H    PHE  18           H        PHE  18   7.795   8.211  -0.848
  122    HA   PHE  18           HA       PHE  18   5.013   8.108  -0.159
  123    HB2  PHE  18           2HB      PHE  18   6.644   6.132  -0.688
  124    HB3  PHE  18           1HB      PHE  18   7.069   6.252   1.017
  125    HD1  PHE  18           1HD      PHE  18   4.459   5.394  -1.384
  126    HD2  PHE  18           2HD      PHE  18   5.477   5.638   2.740
  127    HE1  PHE  18           1HE      PHE  18   2.492   4.027  -0.827
  128    HE2  PHE  18           2HE      PHE  18   3.511   4.270   3.310
  129    HZ   PHE  18           HZ       PHE  18   2.014   3.461   1.523
  130    H    ALA  19           H        ALA  19   8.000   8.876   1.467
  131    HA   ALA  19           HA       ALA  19   6.987   9.049   4.098
  132    HB1  ALA  19           1HB      ALA  19   9.261   9.077   4.129
  133    HB2  ALA  19           2HB      ALA  19   9.379  10.072   2.678
  134    HB3  ALA  19           3HB      ALA  19   8.955  10.811   4.223
  135    H    LYS  20           H        LYS  20   7.155  11.396   1.435
  136    HA   LYS  20           HA       LYS  20   6.060  13.570   2.923
  137    HB2  LYS  20           2HB      LYS  20   6.052  13.062  -0.064
  138    HB3  LYS  20           1HB      LYS  20   5.662  14.593   0.705
  139    HG2  LYS  20           2HG      LYS  20   7.821  15.118   1.055
  140    HG3  LYS  20           1HG      LYS  20   8.284  13.452   1.403
  141    HD2  LYS  20           2HD      LYS  20   9.199  13.373  -0.627
  142    HD3  LYS  20           1HD      LYS  20   7.565  13.452  -1.290
  143    HE2  LYS  20           2HE      LYS  20   8.299  15.309  -2.310
  144    HE3  LYS  20           1HE      LYS  20   8.049  16.067  -0.737
  145    HZ1  LYS  20           3HZ      LYS  20  10.443  15.739  -2.161
  146    HZ2  LYS  20           1HZ      LYS  20  10.566  14.868  -0.709
  147    HZ3  LYS  20           2HZ      LYS  20  10.194  16.523  -0.677
  148    H    GLN  21           H        GLN  21   4.801  11.004   0.933
  149    HA   GLN  21           HA       GLN  21   2.081  11.708   0.898
  150    HB2  GLN  21           2HB      GLN  21   3.708   9.629  -0.055
  151    HB3  GLN  21           1HB      GLN  21   2.522   8.851   0.977
  152    HG2  GLN  21           2HG      GLN  21   0.743   9.528  -0.354
  153    HG3  GLN  21           1HG      GLN  21   1.678  10.827  -1.093
  154   HE21  GLN  21          1HE2      GLN  21   1.176  10.154  -3.175
  155   HE22  GLN  21          2HE2      GLN  21   1.861   8.730  -3.872
  156    H    ALA  22           H        ALA  22   4.094  10.327   3.348
  157    HA   ALA  22           HA       ALA  22   2.092   9.036   4.876
  158    HB1  ALA  22           1HB      ALA  22   3.879   9.337   6.729
  159    HB2  ALA  22           2HB      ALA  22   4.213   8.276   5.360
  160    HB3  ALA  22           3HB      ALA  22   4.896   9.904   5.406
  161    H    GLU  23           H        GLU  23   2.858  12.356   4.484
  162    HA   GLU  23           HA       GLU  23   1.248  12.960   6.871
  163    HB2  GLU  23           2HB      GLU  23   3.660  13.987   6.379
  164    HB3  GLU  23           1HB      GLU  23   2.693  15.143   5.471
  165    HG2  GLU  23           2HG      GLU  23   1.951  16.137   7.318
  166    HG3  GLU  23           1HG      GLU  23   1.608  14.602   8.111
  167    H    GLY  24           H        GLY  24   0.745  12.343   3.811
  168    HA2  GLY  24           1HA      GLY  24  -0.990  14.584   3.160
  169    HA3  GLY  24           2HA      GLY  24  -0.771  13.119   2.205
  170    H    THR  25           H        THR  25  -1.141  11.758   4.961
  171    HA   THR  25           HA       THR  25  -3.955  12.179   5.512
  172    HB   THR  25           HB       THR  25  -3.088   9.357   4.926
  173    HG1  THR  25           1HG      THR  25  -3.692  11.379   3.106
  174   HG21  THR  25          3HG2      THR  25  -5.194   9.896   6.203
  175   HG22  THR  25          1HG2      THR  25  -5.425   8.922   4.750
  176   HG23  THR  25          2HG2      THR  25  -5.807  10.643   4.730
  177    H    THR  26           H        THR  26  -4.427  11.640   7.650
  178    HA   THR  26           HA       THR  26  -2.224  11.335   9.406
  179    HB   THR  26           HB       THR  26  -4.622  10.717  10.772
  180    HG1  THR  26           1HG      THR  26  -6.049  11.554   9.438
  181   HG21  THR  26          3HG2      THR  26  -4.015  12.494  12.055
  182   HG22  THR  26          1HG2      THR  26  -3.661  13.518  10.661
  183   HG23  THR  26          2HG2      THR  26  -2.497  12.293  11.176
  184    H    CYS  27           H        CYS  27  -1.137   9.419   9.170
  185    HA   CYS  27           HA       CYS  27  -2.512   7.004  10.036
  186    HB2  CYS  27           2HB      CYS  27  -1.145   7.283   7.361
  187    HB3  CYS  27           1HB      CYS  27  -1.500   5.729   8.105
  188    H    ASN  28           H        ASN  28  -0.956   5.194  10.349
  189    HA   ASN  28           HA       ASN  28   1.702   6.210  11.106
  190    HB2  ASN  28           2HB      ASN  28  -0.021   4.083  12.391
  191    HB3  ASN  28           1HB      ASN  28   1.682   4.294  12.777
  192   HD21  ASN  28          1HD2      ASN  28   2.347   6.238  13.770
  193   HD22  ASN  28          2HD2      ASN  28   1.224   7.176  14.694
  194    H    VAL  29           H        VAL  29   3.280   4.217  11.298
  195    HA   VAL  29           HA       VAL  29   3.764   3.289   8.723
  196    HB   VAL  29           HB       VAL  29   4.834   2.688  11.413
  197   HG11  VAL  29          1HG1      VAL  29   5.462   0.857   9.102
  198   HG12  VAL  29          2HG1      VAL  29   6.211   0.830  10.698
  199   HG13  VAL  29          3HG1      VAL  29   4.505   0.416  10.515
  200   HG21  VAL  29          3HG2      VAL  29   6.977   2.936   9.930
  201   HG22  VAL  29          1HG2      VAL  29   5.839   3.634   8.780
  202   HG23  VAL  29          2HG2      VAL  29   6.021   4.346  10.383
  203    H    GLY  30           H        GLY  30   2.104   1.623  11.401
  204    HA2  GLY  30           1HA      GLY  30   1.740  -0.728   9.699
  205    HA3  GLY  30           2HA      GLY  30   1.383  -0.632  11.415
  206    H    SER  31           H        SER  31   0.179   2.047   9.779
  207    HA   SER  31           HA       SER  31  -2.438   0.770   9.353
  208    HB2  SER  31           2HB      SER  31  -2.964   3.387  10.210
  209    HB3  SER  31           1HB      SER  31  -3.236   1.901  11.124
  210    HG   SER  31           HG       SER  31  -1.172   2.116  12.020
  211    H    ILE  32           H        ILE  32   0.014   2.276   7.921
  212    HA   ILE  32           HA       ILE  32  -1.535   4.113   6.290
  213    HB   ILE  32           HB       ILE  32   0.994   4.347   7.183
  214   HG12  ILE  32          2HG1      ILE  32   0.432   5.463   4.473
  215   HG13  ILE  32          1HG1      ILE  32  -0.628   5.900   5.810
  216   HG21  ILE  32          1HG2      ILE  32   2.581   3.360   5.997
  217   HG22  ILE  32          2HG2      ILE  32   1.322   2.434   5.184
  218   HG23  ILE  32          3HG2      ILE  32   1.896   3.944   4.480
  219   HD11  ILE  32          3HD1      ILE  32   1.856   7.017   5.117
  220   HD12  ILE  32          1HD1      ILE  32   0.835   7.404   6.502
  221   HD13  ILE  32          2HD1      ILE  32   2.086   6.169   6.645
  222    H    ALA  33           H        ALA  33  -2.163   3.719   4.238
  223    HA   ALA  33           HA       ALA  33  -1.224   1.283   2.943
  224    HB1  ALA  33           1HB      ALA  33  -4.144   1.751   3.524
  225    HB2  ALA  33           2HB      ALA  33  -3.468   0.422   2.580
  226    HB3  ALA  33           3HB      ALA  33  -3.117   0.549   4.303
  227    H    CYS  34           H        CYS  34  -1.713   1.140   0.748
  228    HA   CYS  34           HA       CYS  34  -2.663   3.636  -0.459
  229    HB2  CYS  34           2HB      CYS  34  -0.382   2.941  -1.129
  230    HB3  CYS  34           1HB      CYS  34  -1.031   1.412  -1.708
  231    H    CYS  35           H        CYS  35  -4.538   3.587  -1.582
  232    HA   CYS  35           HA       CYS  35  -5.785   0.941  -1.943
  233    HB2  CYS  35           2HB      CYS  35  -7.166   3.589  -1.451
  234    HB3  CYS  35           1HB      CYS  35  -7.953   2.021  -1.616
  235    H    ASN  36           H        ASN  36  -7.118   0.675  -3.807
  236    HA   ASN  36           HA       ASN  36  -7.117   2.797  -5.782
  237    HB2  ASN  36           2HB      ASN  36  -6.031   1.544  -7.538
  238    HB3  ASN  36           1HB      ASN  36  -4.948   1.633  -6.156
  239   HD21  ASN  36          1HD2      ASN  36  -4.292  -0.205  -5.188
  240   HD22  ASN  36          2HD2      ASN  36  -4.740  -1.797  -5.699
  241    H    SER  37           H        SER  37  -8.500   2.339  -7.598
  242    HA   SER  37           HA       SER  37 -10.925   1.162  -6.984
  243    HB2  SER  37           2HB      SER  37 -10.124   1.190  -9.839
  244    HB3  SER  37           1HB      SER  37 -11.553   1.873  -9.060
  245    HG   SER  37           HG       SER  37  -9.339   3.134  -9.812
  246    HA   PRO  38           HA       PRO  38 -10.243  -3.139  -6.802
  247    HB2  PRO  38           2HB      PRO  38 -12.862  -3.355  -8.210
  248    HB3  PRO  38           1HB      PRO  38 -12.328  -4.102  -6.700
  249    HG2  PRO  38           2HG      PRO  38 -13.990  -2.014  -6.698
  250    HG3  PRO  38           1HG      PRO  38 -12.736  -2.202  -5.460
  251    HD2  PRO  38           2HD      PRO  38 -12.850  -0.348  -7.780
  252    HD3  PRO  38           1HD      PRO  38 -12.102  -0.128  -6.186
  253    H    ALA  39           H        ALA  39 -11.267  -1.773  -9.884
  254    HA   ALA  39           HA       ALA  39 -10.974  -4.038 -11.492
  255    HB1  ALA  39           1HB      ALA  39 -10.422  -1.224 -12.392
  256    HB2  ALA  39           2HB      ALA  39 -11.034  -2.577 -13.348
  257    HB3  ALA  39           3HB      ALA  39 -12.047  -1.847 -12.102
  258    H    GLU  40           H        GLU  40  -8.560  -2.126  -9.987
  259    HA   GLU  40           HA       GLU  40  -6.508  -3.053 -11.864
  260    HB2  GLU  40           2HB      GLU  40  -6.210  -0.773 -11.644
  261    HB3  GLU  40           1HB      GLU  40  -6.721  -0.760  -9.964
  262    HG2  GLU  40           2HG      GLU  40  -4.642  -0.883  -9.258
  263    HG3  GLU  40           1HG      GLU  40  -4.304  -2.283 -10.273
  264    H    THR  41           H        THR  41  -7.052  -2.765  -8.349
  265    HA   THR  41           HA       THR  41  -4.820  -4.368  -7.679
  266    HB   THR  41           HB       THR  41  -6.481  -2.679  -6.295
  267    HG1  THR  41           1HG      THR  41  -4.474  -4.505  -5.496
  268   HG21  THR  41          3HG2      THR  41  -8.066  -3.759  -5.178
  269   HG22  THR  41          1HG2      THR  41  -6.834  -4.755  -4.409
  270   HG23  THR  41          2HG2      THR  41  -7.578  -5.282  -5.919
  271    H    ASN  42           H        ASN  42  -8.068  -5.151  -8.558
  272    HA   ASN  42           HA       ASN  42  -7.896  -7.832  -7.417
  273    HB2  ASN  42           2HB      ASN  42 -10.062  -6.126  -8.478
  274    HB3  ASN  42           1HB      ASN  42 -10.224  -7.848  -8.792
  275   HD21  ASN  42          1HD2      ASN  42  -9.054  -5.915  -6.068
  276   HD22  ASN  42          2HD2      ASN  42 -10.074  -6.654  -4.883
  277    H    ASN  43           H        ASN  43  -6.372  -6.685  -9.812
  278    HA   ASN  43           HA       ASN  43  -7.100  -7.778 -12.228
  279    HB2  ASN  43           2HB      ASN  43  -4.681  -6.750 -11.065
  280    HB3  ASN  43           1HB      ASN  43  -4.308  -8.170 -12.036
  281   HD21  ASN  43          1HD2      ASN  43  -5.018  -4.874 -12.067
  282   HD22  ASN  43          2HD2      ASN  43  -5.157  -4.672 -13.780
  283    H    ASP  44           H        ASP  44  -5.634  -9.422  -9.491
  284    HA   ASP  44           HA       ASP  44  -5.944 -11.960 -10.949
  285    HB2  ASP  44           2HB      ASP  44  -3.610 -11.736 -10.566
  286    HB3  ASP  44           1HB      ASP  44  -3.862 -11.116  -8.936
  287    H    SER  45           H        SER  45  -6.640 -13.779  -9.673
  288    HA   SER  45           HA       SER  45  -8.760 -12.986  -7.883
  289    HB2  SER  45           2HB      SER  45  -8.252 -15.858  -8.246
  290    HB3  SER  45           1HB      SER  45  -9.734 -14.930  -8.497
  291    HG   SER  45           HG       SER  45  -8.597 -14.103 -10.444
  292    H    LEU  46           H        LEU  46  -5.584 -14.370  -7.609
  293    HA   LEU  46           HA       LEU  46  -5.987 -15.166  -4.844
  294    HB2  LEU  46           2HB      LEU  46  -4.467 -16.552  -6.002
  295    HB3  LEU  46           1HB      LEU  46  -3.634 -15.187  -6.718
  296    HG   LEU  46           HG       LEU  46  -3.027 -14.668  -4.192
  297   HD11  LEU  46          1HD1      LEU  46  -2.899 -16.483  -2.768
  298   HD12  LEU  46          2HD1      LEU  46  -4.461 -16.727  -3.553
  299   HD13  LEU  46          3HD1      LEU  46  -3.055 -17.653  -4.078
  300   HD21  LEU  46          3HD2      LEU  46  -1.021 -15.051  -5.048
  301   HD22  LEU  46          1HD2      LEU  46  -1.283 -16.788  -4.921
  302   HD23  LEU  46          2HD2      LEU  46  -1.759 -15.929  -6.385
  303    H    LEU  47           H        LEU  47  -4.494 -12.608  -6.711
  304    HA   LEU  47           HA       LEU  47  -3.237 -11.085  -4.798
  305    HB2  LEU  47           2HB      LEU  47  -4.058 -10.767  -7.445
  306    HB3  LEU  47           1HB      LEU  47  -4.790  -9.421  -6.592
  307    HG   LEU  47           HG       LEU  47  -1.856 -10.052  -6.343
  308   HD11  LEU  47          1HD1      LEU  47  -3.335  -8.795  -8.562
  309   HD12  LEU  47          2HD1      LEU  47  -1.880  -7.962  -8.017
  310   HD13  LEU  47          3HD1      LEU  47  -1.786  -9.637  -8.561
  311   HD21  LEU  47          3HD2      LEU  47  -3.443  -8.353  -4.926
  312   HD22  LEU  47          1HD2      LEU  47  -1.709  -8.146  -5.171
  313   HD23  LEU  47          2HD2      LEU  47  -2.850  -7.298  -6.211
  314    H    SER  48           H        SER  48  -6.693 -11.248  -5.521
  315    HA   SER  48           HA       SER  48  -7.460  -9.015  -3.978
  316    HB2  SER  48           2HB      SER  48  -9.591 -10.907  -4.064
  317    HB3  SER  48           1HB      SER  48  -9.381  -9.456  -5.045
  318    HG   SER  48           HG       SER  48  -8.370 -10.636  -6.599
  319    H    GLY  49           H        GLY  49  -6.507 -12.187  -3.090
  320    HA2  GLY  49           1HA      GLY  49  -7.700 -11.945  -0.419
  321    HA3  GLY  49           2HA      GLY  49  -6.911 -13.374  -1.072
  322    H    LEU  50           H        LEU  50  -4.666 -11.678  -2.089
  323    HA   LEU  50           HA       LEU  50  -3.010 -11.837   0.248
  324    HB2  LEU  50           2HB      LEU  50  -2.457 -10.772  -2.522
  325    HB3  LEU  50           1HB      LEU  50  -1.247 -10.913  -1.260
  326    HG   LEU  50           HG       LEU  50  -2.784 -13.248  -2.391
  327   HD11  LEU  50          1HD1      LEU  50  -1.386 -12.251  -4.111
  328   HD12  LEU  50          2HD1      LEU  50   0.000 -12.285  -3.022
  329   HD13  LEU  50          3HD1      LEU  50  -0.719 -13.796  -3.582
  330   HD21  LEU  50          3HD2      LEU  50  -0.200 -13.637  -1.066
  331   HD22  LEU  50          1HD2      LEU  50  -1.496 -13.076  -0.010
  332   HD23  LEU  50          2HD2      LEU  50  -1.696 -14.562  -0.939
  333    H    LEU  51           H        LEU  51  -5.104  -9.519  -0.919
  334    HA   LEU  51           HA       LEU  51  -3.739  -7.119  -0.336
  335    HB2  LEU  51           2HB      LEU  51  -6.429  -7.950  -1.036
  336    HB3  LEU  51           1HB      LEU  51  -6.440  -6.634   0.121
  337    HG   LEU  51           HG       LEU  51  -6.347  -5.307  -1.679
  338   HD11  LEU  51          1HD1      LEU  51  -4.221  -4.690  -1.038
  339   HD12  LEU  51          2HD1      LEU  51  -3.531  -6.268  -1.423
  340   HD13  LEU  51          3HD1      LEU  51  -3.966  -5.155  -2.720
  341   HD21  LEU  51          3HD2      LEU  51  -5.728  -6.053  -3.914
  342   HD22  LEU  51          1HD2      LEU  51  -5.200  -7.599  -3.250
  343   HD23  LEU  51          2HD2      LEU  51  -6.900  -7.137  -3.165
  344    H    GLY  52           H        GLY  52  -4.965  -9.539   1.680
  345    HA2  GLY  52           1HA      GLY  52  -4.302  -7.921   4.013
  346    HA3  GLY  52           2HA      GLY  52  -5.922  -8.607   3.961
  347    H    ALA  53           H        ALA  53  -2.570  -9.231   4.513
  348    HA   ALA  53           HA       ALA  53  -2.815 -12.095   4.203
  349    HB1  ALA  53           1HB      ALA  53  -0.398 -11.968   5.125
  350    HB2  ALA  53           2HB      ALA  53  -0.740 -11.350   3.510
  351    HB3  ALA  53           3HB      ALA  53  -0.573 -10.233   4.866
  352    H    GLY  54           H        GLY  54  -4.629 -11.865   5.914
  353    HA2  GLY  54           1HA      GLY  54  -4.170 -13.423   8.044
  354    HA3  GLY  54           2HA      GLY  54  -3.660 -11.854   8.649
  355    H    LEU  55           H        LEU  55  -6.391 -12.955   6.632
  356    HA   LEU  55           HA       LEU  55  -8.633 -12.652   6.789
  357    HB2  LEU  55           2HB      LEU  55  -7.731 -12.997   9.567
  358    HB3  LEU  55           1HB      LEU  55  -9.295 -12.225   9.397
  359    HG   LEU  55           HG       LEU  55  -9.334 -14.464   7.682
  360   HD11  LEU  55          1HD1      LEU  55  -8.087 -15.034  10.359
  361   HD12  LEU  55          2HD1      LEU  55  -8.973 -16.252   9.440
  362   HD13  LEU  55          3HD1      LEU  55  -7.522 -15.517   8.758
  363   HD21  LEU  55          3HD2      LEU  55 -11.199 -15.089   8.957
  364   HD22  LEU  55          1HD2      LEU  55 -10.575 -14.312  10.412
  365   HD23  LEU  55          2HD2      LEU  55 -11.148 -13.331   9.062
  366    H    LEU  56           H        LEU  56  -7.243 -10.377   6.096
  367    HA   LEU  56           HA       LEU  56  -8.247  -8.177   7.695
  368    HB2  LEU  56           2HB      LEU  56  -6.125  -8.532   5.860
  369    HB3  LEU  56           1HB      LEU  56  -7.197  -7.324   5.172
  370    HG   LEU  56           HG       LEU  56  -6.597  -6.884   8.005
  371   HD11  LEU  56          1HD1      LEU  56  -4.404  -7.247   7.917
  372   HD12  LEU  56          2HD1      LEU  56  -4.439  -7.495   6.170
  373   HD13  LEU  56          3HD1      LEU  56  -4.316  -5.865   6.827
  374   HD21  LEU  56          3HD2      LEU  56  -6.521  -5.226   5.494
  375   HD22  LEU  56          1HD2      LEU  56  -7.754  -5.217   6.754
  376   HD23  LEU  56          2HD2      LEU  56  -6.139  -4.600   7.096
  377    H    ASN  57           H        ASN  57  -8.950  -6.261   5.984
  378    HA   ASN  57           HA       ASN  57 -11.157  -7.334   4.393
  379    HB2  ASN  57           2HB      ASN  57 -11.661  -6.383   6.825
  380    HB3  ASN  57           1HB      ASN  57 -11.595  -4.847   5.969
  381   HD21  ASN  57          1HD2      ASN  57 -13.877  -5.684   7.200
  382   HD22  ASN  57          2HD2      ASN  57 -15.063  -6.072   6.005
  383    H    GLY  58           H        GLY  58 -12.231  -5.187   3.367
  384    HA2  GLY  58           1HA      GLY  58  -9.987  -3.971   1.879
  385    HA3  GLY  58           2HA      GLY  58 -11.588  -4.271   1.217
  386    H    LEU  59           H        LEU  59 -11.941  -2.156   0.592
  387    HA   LEU  59           HA       LEU  59 -11.631   0.077   2.284
  388    HB2  LEU  59           2HB      LEU  59 -11.871   0.067  -0.236
  389    HB3  LEU  59           1HB      LEU  59 -13.588  -0.176   0.002
  390    HG   LEU  59           HG       LEU  59 -13.845   1.975   1.005
  391   HD11  LEU  59          1HD1      LEU  59 -12.004   3.462   1.481
  392   HD12  LEU  59          2HD1      LEU  59 -11.757   1.934   2.330
  393   HD13  LEU  59          3HD1      LEU  59 -10.850   2.285   0.856
  394   HD21  LEU  59          3HD2      LEU  59 -11.935   2.650  -1.164
  395   HD22  LEU  59          1HD2      LEU  59 -13.332   1.651  -1.563
  396   HD23  LEU  59          2HD2      LEU  59 -13.564   3.255  -0.865
  397    H    SER  60           H        SER  60 -13.090   1.192   3.527
  398    HA   SER  60           HA       SER  60 -14.951  -0.183   5.033
  399    HB2  SER  60           2HB      SER  60 -13.936   2.006   5.656
  400    HB3  SER  60           1HB      SER  60 -14.963   2.793   4.458
  401    HG   SER  60           HG       SER  60 -15.546   2.105   6.983
  402    H    GLY  61           H        GLY  61 -16.668  -1.215   4.257
  403    HA2  GLY  61           1HA      GLY  61 -18.877  -1.328   3.550
  404    HA3  GLY  61           2HA      GLY  61 -18.763   0.343   3.022
  405    H    ASN  62           H        ASN  62 -16.740   0.309   1.220
  406    HA   ASN  62           HA       ASN  62 -18.077  -0.962  -0.998
  407    HB2  ASN  62           2HB      ASN  62 -17.153   1.356  -1.075
  408    HB3  ASN  62           1HB      ASN  62 -15.536   0.664  -1.051
  409   HD21  ASN  62          1HD2      ASN  62 -14.647   0.096  -2.933
  410   HD22  ASN  62          2HD2      ASN  62 -15.491  -0.001  -4.440
  411    H    THR  63           H        THR  63 -17.755  -3.106  -0.850
  412    HA   THR  63           HA       THR  63 -15.287  -4.370  -0.349
  413    HB   THR  63           HB       THR  63 -17.038  -5.992  -1.967
  414    HG1  THR  63           1HG      THR  63 -18.931  -5.379  -1.262
  415   HG21  THR  63          3HG2      THR  63 -16.898  -6.318   0.974
  416   HG22  THR  63          1HG2      THR  63 -15.375  -6.413   0.092
  417   HG23  THR  63          2HG2      THR  63 -16.694  -7.510  -0.308
  418    H    GLY  64           H        GLY  64 -13.614  -4.781  -1.629
  419    HA2  GLY  64           1HA      GLY  64 -13.094  -5.703  -3.938
  420    HA3  GLY  64           2HA      GLY  64 -13.911  -4.254  -4.513
  421    H    SER  65           H        SER  65 -12.979  -2.280  -2.947
  422    HA   SER  65           HA       SER  65 -10.265  -2.016  -3.876
  423    HB2  SER  65           2HB      SER  65 -11.267   0.084  -2.093
  424    HB3  SER  65           1HB      SER  65 -10.657   0.206  -3.744
  425    HG   SER  65           HG       SER  65 -12.671   0.498  -4.242
  426    H    ALA  66           H        ALA  66  -9.668  -3.918  -2.432
  427    HA   ALA  66           HA       ALA  66  -9.284  -3.316   0.363
  428    HB1  ALA  66           1HB      ALA  66  -9.010  -5.519   0.542
  429    HB2  ALA  66           2HB      ALA  66  -9.316  -5.641  -1.190
  430    HB3  ALA  66           3HB      ALA  66  -7.664  -5.499  -0.594
  431    H    CYS  67           H        CYS  67  -7.414  -2.666   1.338
  432    HA   CYS  67           HA       CYS  67  -5.354  -1.674  -0.507
  433    HB2  CYS  67           2HB      CYS  67  -5.793  -0.575   2.250
  434    HB3  CYS  67           1HB      CYS  67  -5.064   0.201   0.849
  435    H    ALA  68           H        ALA  68  -3.227  -2.011  -0.110
  436    HA   ALA  68           HA       ALA  68  -2.588  -3.889   2.054
  437    HB1  ALA  68           1HB      ALA  68  -2.108  -4.509  -0.367
  438    HB2  ALA  68           2HB      ALA  68  -0.835  -3.288  -0.313
  439    HB3  ALA  68           3HB      ALA  68  -0.773  -4.675   0.775
  440    H    LYS  69           H        LYS  69  -0.502  -3.588   3.143
  441    HA   LYS  69           HA       LYS  69  -0.071  -0.706   3.605
  442    HB2  LYS  69           2HB      LYS  69  -0.152  -3.068   5.463
  443    HB3  LYS  69           1HB      LYS  69   0.724  -1.614   5.914
  444    HG2  LYS  69           2HG      LYS  69  -1.509  -1.636   6.880
  445    HG3  LYS  69           1HG      LYS  69  -1.327  -0.305   5.739
  446    HD2  LYS  69           2HD      LYS  69  -3.251  -1.028   4.860
  447    HD3  LYS  69           1HD      LYS  69  -2.290  -2.324   4.155
  448    HE2  LYS  69           2HE      LYS  69  -2.865  -3.155   6.758
  449    HE3  LYS  69           1HE      LYS  69  -4.359  -2.441   6.153
  450    HZ1  LYS  69           3HZ      LYS  69  -3.711  -3.909   4.065
  451    HZ2  LYS  69           1HZ      LYS  69  -4.607  -4.526   5.360
  452    HZ3  LYS  69           2HZ      LYS  69  -2.943  -4.838   5.268
  453    H    ALA  70           H        ALA  70   2.166  -0.571   4.992
  454    HA   ALA  70           HA       ALA  70   4.173  -0.936   3.069
  455    HB1  ALA  70           1HB      ALA  70   4.129  -0.110   5.920
  456    HB2  ALA  70           2HB      ALA  70   5.678  -0.559   5.206
  457    HB3  ALA  70           3HB      ALA  70   4.727   0.744   4.496
  458    H    SER  71           H        SER  71   3.286  -2.878   5.887
  459    HA   SER  71           HA       SER  71   5.447  -4.689   5.760
  460    HB2  SER  71           2HB      SER  71   3.293  -6.126   6.764
  461    HB3  SER  71           1HB      SER  71   4.416  -5.152   7.714
  462    HG   SER  71           HG       SER  71   1.794  -4.636   6.947
  463    H    LEU  72           H        LEU  72   2.239  -4.656   4.307
  464    HA   LEU  72           HA       LEU  72   2.486  -7.190   3.045
  465    HB2  LEU  72           2HB      LEU  72   0.479  -5.186   3.360
  466    HB3  LEU  72           1HB      LEU  72   0.592  -5.606   1.660
  467    HG   LEU  72           HG       LEU  72   0.216  -7.954   2.179
  468   HD11  LEU  72          1HD1      LEU  72   0.766  -8.727   4.183
  469   HD12  LEU  72          2HD1      LEU  72   0.894  -7.093   4.833
  470   HD13  LEU  72          3HD1      LEU  72  -0.662  -7.922   4.832
  471   HD21  LEU  72          3HD2      LEU  72  -2.048  -7.804   2.513
  472   HD22  LEU  72          1HD2      LEU  72  -1.895  -6.523   3.718
  473   HD23  LEU  72          2HD2      LEU  72  -1.660  -6.157   2.009
  474    H    ILE  73           H        ILE  73   3.622  -4.057   2.280
  475    HA   ILE  73           HA       ILE  73   3.944  -4.388  -0.504
  476    HB   ILE  73           HB       ILE  73   4.753  -2.467   1.488
  477   HG12  ILE  73          2HG1      ILE  73   5.055  -1.222  -0.904
  478   HG13  ILE  73          1HG1      ILE  73   4.034  -2.577  -1.372
  479   HG21  ILE  73          1HG2      ILE  73   7.006  -3.612   0.763
  480   HG22  ILE  73          2HG2      ILE  73   6.805  -2.587  -0.657
  481   HG23  ILE  73          3HG2      ILE  73   6.889  -1.863   0.948
  482   HD11  ILE  73          3HD1      ILE  73   2.327  -1.294  -0.747
  483   HD12  ILE  73          1HD1      ILE  73   2.824  -1.634   0.910
  484   HD13  ILE  73          2HD1      ILE  73   3.384  -0.169   0.106
  485    H    ASP  74           H        ASP  74   5.728  -5.500   2.282
  486    HA   ASP  74           HA       ASP  74   7.896  -6.462   0.574
  487    HB2  ASP  74           2HB      ASP  74   9.081  -5.498   2.225
  488    HB3  ASP  74           1HB      ASP  74   7.708  -5.490   3.322
  489    H    GLN  75           H        GLN  75   5.529  -7.614   2.905
  490    HA   GLN  75           HA       GLN  75   6.468 -10.145   3.415
  491    HB2  GLN  75           2HB      GLN  75   4.677  -9.987   4.730
  492    HB3  GLN  75           1HB      GLN  75   3.985  -8.724   3.729
  493    HG2  GLN  75           2HG      GLN  75   3.718 -11.549   2.832
  494    HG3  GLN  75           1HG      GLN  75   2.723 -10.985   4.170
  495   HE21  GLN  75          1HE2      GLN  75   3.578  -8.570   2.010
  496   HE22  GLN  75          2HE2      GLN  75   2.127  -8.503   1.085
  497    H    LEU  76           H        LEU  76   4.915  -9.059   0.473
  498    HA   LEU  76           HA       LEU  76   5.459 -11.648  -0.713
  499    HB2  LEU  76           2HB      LEU  76   2.870 -10.991   0.123
  500    HB3  LEU  76           1HB      LEU  76   2.861 -10.797  -1.616
  501    HG   LEU  76           HG       LEU  76   2.544 -12.994  -1.821
  502   HD11  LEU  76          1HD1      LEU  76   5.037 -13.022  -1.973
  503   HD12  LEU  76          2HD1      LEU  76   5.086 -13.468  -0.268
  504   HD13  LEU  76          3HD1      LEU  76   4.326 -14.546  -1.440
  505   HD21  LEU  76          3HD2      LEU  76   2.376 -14.457   0.157
  506   HD22  LEU  76          1HD2      LEU  76   3.027 -13.154   1.152
  507   HD23  LEU  76          2HD2      LEU  76   1.472 -12.952   0.345
  508    H    GLY  77           H        GLY  77   5.042  -8.246  -0.996
  509    HA2  GLY  77           1HA      GLY  77   5.911  -6.885  -2.666
  510    HA3  GLY  77           2HA      GLY  77   6.333  -8.327  -3.574
  511    H    LEU  78           H        LEU  78   3.259  -6.964  -2.396
  512    HA   LEU  78           HA       LEU  78   1.807  -7.804  -4.691
  513    HB2  LEU  78           2HB      LEU  78   1.235  -6.102  -2.312
  514    HB3  LEU  78           1HB      LEU  78   0.154  -5.981  -3.687
  515    HG   LEU  78           HG       LEU  78  -0.149  -8.483  -3.538
  516   HD11  LEU  78          1HD1      LEU  78   1.595  -9.340  -2.311
  517   HD12  LEU  78          2HD1      LEU  78   1.578  -8.007  -1.157
  518   HD13  LEU  78          3HD1      LEU  78   0.333  -9.255  -1.080
  519   HD21  LEU  78          3HD2      LEU  78  -0.978  -6.783  -1.189
  520   HD22  LEU  78          1HD2      LEU  78  -1.838  -6.951  -2.722
  521   HD23  LEU  78          2HD2      LEU  78  -1.700  -8.331  -1.632
  522    H    LEU  79           H        LEU  79   2.962  -6.969  -6.464
  523    HA   LEU  79           HA       LEU  79   3.644  -4.240  -6.720
  524    HB2  LEU  79           2HB      LEU  79   3.859  -4.979  -9.225
  525    HB3  LEU  79           1HB      LEU  79   4.999  -5.532  -8.013
  526    HG   LEU  79           HG       LEU  79   3.047  -7.486  -7.963
  527   HD11  LEU  79          1HD1      LEU  79   2.037  -7.721  -9.927
  528   HD12  LEU  79          2HD1      LEU  79   2.628  -6.110 -10.343
  529   HD13  LEU  79          3HD1      LEU  79   3.557  -7.538 -10.804
  530   HD21  LEU  79          3HD2      LEU  79   4.757  -8.819  -9.234
  531   HD22  LEU  79          1HD2      LEU  79   5.683  -7.327  -9.413
  532   HD23  LEU  79          2HD2      LEU  79   5.365  -7.981  -7.805
  533    H    ALA  80           H        ALA  80   0.644  -5.666  -6.956
  534    HA   ALA  80           HA       ALA  80  -0.429  -4.055  -9.081
  535    HB1  ALA  80           1HB      ALA  80  -1.525  -6.008  -7.128
  536    HB2  ALA  80           2HB      ALA  80  -2.641  -4.831  -7.821
  537    HB3  ALA  80           3HB      ALA  80  -1.737  -5.912  -8.877
  538    H    LEU  81           H        LEU  81   0.367  -3.516  -5.830
  539    HA   LEU  81           HA       LEU  81  -1.595  -1.351  -5.577
  540    HB2  LEU  81           2HB      LEU  81  -1.269  -3.275  -3.843
  541    HB3  LEU  81           1HB      LEU  81   0.118  -2.333  -3.334
  542    HG   LEU  81           HG       LEU  81  -1.958  -0.486  -3.436
  543   HD11  LEU  81          1HD1      LEU  81  -3.390  -1.939  -1.662
  544   HD12  LEU  81          2HD1      LEU  81  -3.818  -1.736  -3.360
  545   HD13  LEU  81          3HD1      LEU  81  -2.954  -3.182  -2.837
  546   HD21  LEU  81          3HD2      LEU  81   0.002  -1.274  -1.718
  547   HD22  LEU  81          1HD2      LEU  81  -1.228  -0.061  -1.364
  548   HD23  LEU  81          2HD2      LEU  81  -1.458  -1.729  -0.835
  549    H    VAL  82           H        VAL  82   1.789  -2.014  -5.851
  550    HA   VAL  82           HA       VAL  82   2.430   0.725  -5.039
  551    HB   VAL  82           HB       VAL  82   4.779  -0.761  -5.751
  552   HG11  VAL  82          1HG1      VAL  82   5.064  -0.394  -3.151
  553   HG12  VAL  82          2HG1      VAL  82   5.168   0.950  -4.293
  554   HG13  VAL  82          3HG1      VAL  82   3.678   0.669  -3.390
  555   HG21  VAL  82          3HG2      VAL  82   4.331  -2.251  -3.530
  556   HG22  VAL  82          1HG2      VAL  82   2.738  -2.278  -4.284
  557   HG23  VAL  82          2HG2      VAL  82   4.146  -2.842  -5.180
  558    H    ASP  83           H        ASP  83   3.226   2.192  -6.413
  559    HA   ASP  83           HA       ASP  83   3.791   1.332  -9.183
  560    HB2  ASP  83           2HB      ASP  83   1.776   2.934  -8.700
  561    HB3  ASP  83           1HB      ASP  83   3.024   4.154  -8.474
  562    H    HIS  84           H        HIS  84   5.478   2.659 -10.257
  563    HA   HIS  84           HA       HIS  84   7.474   3.494  -8.271
  564    HB2  HIS  84           2HB      HIS  84   7.942   1.447  -9.784
  565    HB3  HIS  84           1HB      HIS  84   8.204   2.643 -11.054
  566    HD1  HIS  84           1HD      HIS  84   9.942   4.693 -10.063
  567    HD2  HIS  84           2HD      HIS  84  10.243   0.828  -8.567
  568    HE1  HIS  84           1HE      HIS  84  12.209   4.553  -9.011
  569    HE2  HIS  84           2HE      HIS  84  12.490   2.115  -8.430
  570    H    THR  85           H        THR  85   7.555   5.587  -8.147
  571    HA   THR  85           HA       THR  85   7.168   7.232 -10.532
  572    HB   THR  85           HB       THR  85   7.264   9.125  -8.834
  573    HG1  THR  85           1HG      THR  85   6.560   7.625  -6.725
  574   HG21  THR  85          3HG2      THR  85   5.179   7.628  -9.684
  575   HG22  THR  85          1HG2      THR  85   5.011   9.011  -8.602
  576   HG23  THR  85          2HG2      THR  85   5.055   7.375  -7.943
  577    H    GLU  86           H        GLU  86   8.645   9.427  -9.920
  578    HA   GLU  86           HA       GLU  86  11.182   8.923 -10.847
  579    HB2  GLU  86           2HB      GLU  86  10.565  11.194  -8.966
  580    HB3  GLU  86           1HB      GLU  86  11.698  11.172 -10.311
  581    HG2  GLU  86           2HG      GLU  86   9.963  11.216 -11.907
  582    HG3  GLU  86           1HG      GLU  86   8.738  10.851 -10.695
  583    H    GLU  87           H        GLU  87  10.142   9.193  -7.456
  584    HA   GLU  87           HA       GLU  87  12.747   8.758  -6.381
  585    HB2  GLU  87           2HB      GLU  87  10.000   8.570  -5.144
  586    HB3  GLU  87           1HB      GLU  87  11.490   8.367  -4.234
  587    HG2  GLU  87           2HG      GLU  87  11.111  10.566  -3.838
  588    HG3  GLU  87           1HG      GLU  87  12.057  10.703  -5.320
  589    H    GLY  88           H        GLY  88   9.889   6.667  -5.895
  590    HA2  GLY  88           1HA      GLY  88  11.244   4.309  -6.758
  591    HA3  GLY  88           2HA      GLY  88  11.285   4.463  -5.008
  592    HA   PRO  89           HA       PRO  89   7.401   2.167  -5.901
  593    HB2  PRO  89           2HB      PRO  89   7.973   0.953  -3.297
  594    HB3  PRO  89           1HB      PRO  89   7.746   0.172  -4.864
  595    HG2  PRO  89           2HG      PRO  89  10.147   0.280  -3.643
  596    HG3  PRO  89           1HG      PRO  89   9.980   0.329  -5.408
  597    HD2  PRO  89           2HD      PRO  89  10.450   2.580  -3.484
  598    HD3  PRO  89           1HD      PRO  89  11.191   2.286  -5.074
  599    H    VAL  90           H        VAL  90   5.830   3.610  -5.553
  600    HA   VAL  90           HA       VAL  90   5.306   4.507  -2.789
  601    HB   VAL  90           HB       VAL  90   4.271   6.543  -4.050
  602   HG11  VAL  90          1HG1      VAL  90   6.641   6.113  -2.733
  603   HG12  VAL  90          2HG1      VAL  90   7.173   6.804  -4.266
  604   HG13  VAL  90          3HG1      VAL  90   6.029   7.685  -3.253
  605   HG21  VAL  90          3HG2      VAL  90   6.267   5.514  -6.078
  606   HG22  VAL  90          1HG2      VAL  90   4.515   5.630  -6.294
  607   HG23  VAL  90          2HG2      VAL  90   5.480   7.098  -6.121
  608    H    CYS  91           H        CYS  91   2.937   5.692  -3.008
  609    HA   CYS  91           HA       CYS  91   1.093   3.575  -3.395
  610    HB2  CYS  91           2HB      CYS  91   0.722   5.377  -1.764
  611    HB3  CYS  91           1HB      CYS  91   0.577   6.543  -3.074
  612    H    LYS  92           H        LYS  92  -0.162   3.056  -5.076
  613    HA   LYS  92           HA       LYS  92   0.514   4.046  -7.656
  614    HB2  LYS  92           2HB      LYS  92  -0.327   1.675  -6.816
  615    HB3  LYS  92           1HB      LYS  92  -1.900   2.354  -7.209
  616    HG2  LYS  92           2HG      LYS  92  -1.581   2.099  -9.393
  617    HG3  LYS  92           1HG      LYS  92   0.056   2.761  -9.320
  618    HD2  LYS  92           2HD      LYS  92   0.986   0.668  -8.755
  619    HD3  LYS  92           1HD      LYS  92  -0.595  -0.021  -8.367
  620    HE2  LYS  92           2HE      LYS  92  -1.163  -0.309 -10.575
  621    HE3  LYS  92           1HE      LYS  92  -0.097   0.983 -11.128
  622    HZ1  LYS  92           3HZ      LYS  92   1.213  -1.310  -9.920
  623    HZ2  LYS  92           1HZ      LYS  92   1.647  -0.408 -11.287
  624    HZ3  LYS  92           2HZ      LYS  92   0.446  -1.602 -11.404
  625    H    ASN  93           H        ASN  93  -2.158   4.597  -5.432
  626    HA   ASN  93           HA       ASN  93  -3.283   6.527  -7.299
  627    HB2  ASN  93           2HB      ASN  93  -4.444   3.892  -6.777
  628    HB3  ASN  93           1HB      ASN  93  -5.574   5.220  -6.531
  629   HD21  ASN  93          1HD2      ASN  93  -4.302   3.124  -8.755
  630   HD22  ASN  93          2HD2      ASN  93  -4.750   3.949 -10.204
  631    H    ILE  94           H        ILE  94  -5.110   5.032  -4.708
  632    HA   ILE  94           HA       ILE  94  -5.567   7.725  -3.668
  633    HB   ILE  94           HB       ILE  94  -7.061   5.225  -2.896
  634   HG12  ILE  94          2HG1      ILE  94  -8.156   7.027  -4.996
  635   HG13  ILE  94          1HG1      ILE  94  -6.877   5.915  -5.475
  636   HG21  ILE  94          1HG2      ILE  94  -7.663   8.160  -2.769
  637   HG22  ILE  94          2HG2      ILE  94  -8.919   6.931  -2.626
  638   HG23  ILE  94          3HG2      ILE  94  -7.608   6.992  -1.449
  639   HD11  ILE  94          3HD1      ILE  94  -8.331   4.118  -4.338
  640   HD12  ILE  94          1HD1      ILE  94  -9.623   5.311  -4.475
  641   HD13  ILE  94          2HD1      ILE  94  -8.803   4.726  -5.922
  642    H    VAL  95           H        VAL  95  -4.935   8.391  -1.706
  643    HA   VAL  95           HA       VAL  95  -3.423   6.589  -0.002
  644    HB   VAL  95           HB       VAL  95  -3.586   8.986   1.366
  645   HG11  VAL  95          1HG1      VAL  95  -1.289   9.382   0.393
  646   HG12  VAL  95          2HG1      VAL  95  -1.545   7.810   1.151
  647   HG13  VAL  95          3HG1      VAL  95  -1.563   7.955  -0.606
  648   HG21  VAL  95          3HG2      VAL  95  -4.628  10.289  -0.265
  649   HG22  VAL  95          1HG2      VAL  95  -2.915  10.626  -0.505
  650   HG23  VAL  95          2HG2      VAL  95  -3.750   9.510  -1.583
  651    H    ALA  96           H        ALA  96  -4.152   5.700   1.867
  652    HA   ALA  96           HA       ALA  96  -6.450   6.809   3.229
  653    HB1  ALA  96           1HB      ALA  96  -7.816   5.600   1.866
  654    HB2  ALA  96           2HB      ALA  96  -6.612   4.343   1.581
  655    HB3  ALA  96           3HB      ALA  96  -7.491   4.394   3.110
  656    H    CYS  97           H        CYS  97  -7.101   5.195   5.058
  657    HA   CYS  97           HA       CYS  97  -4.603   4.262   6.299
  658    HB2  CYS  97           2HB      CYS  97  -6.497   6.123   7.230
  659    HB3  CYS  97           1HB      CYS  97  -6.713   4.677   8.212
  660    H    CYS  98           H        CYS  98  -4.454   2.177   6.795
  661    HA   CYS  98           HA       CYS  98  -6.872   0.579   7.136
  662    HB2  CYS  98           2HB      CYS  98  -6.221   0.574   4.684
  663    HB3  CYS  98           1HB      CYS  98  -4.739  -0.247   5.162
  664    HA   PRO  99           HA       PRO  99  -4.022  -1.051  10.132
  665    HB2  PRO  99           2HB      PRO  99  -5.771  -2.450  11.567
  666    HB3  PRO  99           1HB      PRO  99  -5.876  -0.687  11.486
  667    HG2  PRO  99           2HG      PRO  99  -7.513  -2.744  10.071
  668    HG3  PRO  99           1HG      PRO  99  -8.016  -1.204  10.789
  669    HD2  PRO  99           2HD      PRO  99  -7.470  -1.645   8.087
  670    HD3  PRO  99           1HD      PRO  99  -7.563  -0.061   8.881
  671    H    GLU 100           H        GLU 100  -2.603  -2.720   9.930
  672    HA   GLU 100           HA       GLU 100  -3.274  -5.052   8.393
  673    HB2  GLU 100           2HB      GLU 100  -0.819  -4.317   9.983
  674    HB3  GLU 100           1HB      GLU 100  -0.982  -5.835   9.109
  675    HG2  GLU 100           2HG      GLU 100  -1.508  -3.352   7.603
  676    HG3  GLU 100           1HG      GLU 100   0.161  -3.678   8.061
  677    H    GLY 101           H        GLY 101  -4.837  -6.200   9.358
  678    HA2  GLY 101           1HA      GLY 101  -4.183  -8.194  11.141
  679    HA3  GLY 101           2HA      GLY 101  -4.865  -6.902  12.122
  680    H    THR 102           H        THR 102  -6.862  -5.903  10.770
  681    HA   THR 102           HA       THR 102  -8.432  -7.483   9.128
  682    HB   THR 102           HB       THR 102  -8.538  -8.955  11.206
  683    HG1  THR 102           1HG      THR 102 -10.113  -9.351   9.766
  684   HG21  THR 102          3HG2      THR 102  -8.754  -7.085  12.847
  685   HG22  THR 102          1HG2      THR 102 -10.007  -8.317  13.007
  686   HG23  THR 102          2HG2      THR 102 -10.378  -6.783  12.224
  687    H    THR 103           H        THR 103 -10.941  -6.734   9.646
  688    HA   THR 103           HA       THR 103 -12.407  -5.004   9.542
  689    HB   THR 103           HB       THR 103 -10.505  -3.006  10.691
  690    HG1  THR 103           1HG      THR 103 -10.038  -4.681  12.050
  691   HG21  THR 103          3HG2      THR 103 -12.388  -1.905  11.111
  692   HG22  THR 103          1HG2      THR 103 -13.045  -3.275  12.012
  693   HG23  THR 103          2HG2      THR 103 -13.270  -3.175  10.265
  694    H    ASN 104           H        ASN 104 -12.801  -2.979   8.440
  695    HA   ASN 104           HA       ASN 104 -11.439  -3.017   5.926
  696    HB2  ASN 104           2HB      ASN 104 -13.106  -1.064   5.500
  697    HB3  ASN 104           1HB      ASN 104 -13.733  -2.698   5.702
  698   HD21  ASN 104          1HD2      ASN 104 -13.342   0.429   7.208
  699   HD22  ASN 104          2HD2      ASN 104 -14.541   0.205   8.432
  700    H    CYS 105           H        CYS 105 -11.036  -0.810   4.863
  701    HA   CYS 105           HA       CYS 105  -9.319   0.759   6.672
  702    HB2  CYS 105           2HB      CYS 105  -8.976   0.968   3.725
  703    HB3  CYS 105           1HB      CYS 105  -7.765   0.931   5.002
  704    H    VAL 106           H        VAL 106  -9.277   3.046   6.400
  705    HA   VAL 106           HA       VAL 106 -11.803   4.083   5.314
  706    HB   VAL 106           HB       VAL 106 -11.724   5.867   6.896
  707   HG11  VAL 106          1HG1      VAL 106 -12.473   3.627   7.697
  708   HG12  VAL 106          2HG1      VAL 106 -10.869   3.396   8.391
  709   HG13  VAL 106          3HG1      VAL 106 -11.902   4.702   8.974
  710   HG21  VAL 106          3HG2      VAL 106  -8.911   4.965   7.393
  711   HG22  VAL 106          1HG2      VAL 106  -9.519   6.581   7.036
  712   HG23  VAL 106          2HG2      VAL 106  -9.799   5.865   8.623
  713    H    ALA 107           H        ALA 107 -11.795   5.607   3.764
  714    HA   ALA 107           HA       ALA 107  -9.171   6.588   2.864
  715    HB1  ALA 107           1HB      ALA 107 -11.202   5.283   1.441
  716    HB2  ALA 107           2HB      ALA 107 -11.236   6.966   0.910
  717    HB3  ALA 107           3HB      ALA 107  -9.742   6.033   0.795
  718    H    VAL 108           H        VAL 108  -8.781   8.662   3.237
  719    HA   VAL 108           HA       VAL 108 -11.082  10.456   3.574
  720    HB   VAL 108           HB       VAL 108  -8.600  11.483   4.696
  721   HG11  VAL 108          1HG1      VAL 108 -11.431  11.476   5.202
  722   HG12  VAL 108          2HG1      VAL 108 -10.531  11.162   6.686
  723   HG13  VAL 108          3HG1      VAL 108 -10.194  12.613   5.742
  724   HG21  VAL 108          3HG2      VAL 108  -8.890   8.744   5.077
  725   HG22  VAL 108          1HG2      VAL 108  -7.886   9.839   6.025
  726   HG23  VAL 108          2HG2      VAL 108  -9.524   9.464   6.556
  727    H    ASP 109           H        ASP 109  -9.217   9.665   1.248
  728    HA   ASP 109           HA       ASP 109  -7.855  12.065   0.539
  729    HB2  ASP 109           2HB      ASP 109  -6.914  10.274  -0.571
  730    HB3  ASP 109           1HB      ASP 109  -8.468   9.498  -0.860
  731    H    ASN 110           H        ASN 110  -8.685  13.847  -0.191
  732    HA   ASN 110           HA       ASN 110 -11.160  13.755  -1.760
  733    HB2  ASN 110           2HB      ASN 110 -10.555  15.366   0.681
  734    HB3  ASN 110           1HB      ASN 110 -11.477  16.145  -0.603
  735   HD21  ASN 110          1HD2      ASN 110 -11.409  13.455   1.642
  736   HD22  ASN 110          2HD2      ASN 110 -13.112  13.156   1.623
  737    H    ALA 111           H        ALA 111  -9.769  13.805  -3.558
  738    HA   ALA 111           HA       ALA 111  -8.688  14.779  -5.292
  739    HB1  ALA 111           1HB      ALA 111 -10.402  16.672  -4.572
  740    HB2  ALA 111           2HB      ALA 111  -8.901  17.527  -4.216
  741    HB3  ALA 111           3HB      ALA 111  -9.201  16.915  -5.842
  742    H    GLY 112           H        GLY 112  -7.194  13.829  -3.129
  743    HA2  GLY 112           1HA      GLY 112  -4.876  15.670  -3.207
  744    HA3  GLY 112           2HA      GLY 112  -5.193  14.552  -1.886
  745    H    ALA 113           H        ALA 113  -6.024  12.428  -3.738
  746    HA   ALA 113           HA       ALA 113  -3.513  11.191  -4.155
  747    HB1  ALA 113           1HB      ALA 113  -6.065  10.312  -3.940
  748    HB2  ALA 113           2HB      ALA 113  -5.785  10.127  -5.672
  749    HB3  ALA 113           3HB      ALA 113  -4.715   9.334  -4.517
  750    H    GLY 114           H        GLY 114  -2.516  10.567  -6.127
  751    HA2  GLY 114           1HA      GLY 114  -2.589  10.671  -8.596
  752    HA3  GLY 114           2HA      GLY 114  -3.217  12.304  -8.411
  753    H    THR 115           H        THR 115  -1.184  12.416  -6.043
  754    HA   THR 115           HA       THR 115   1.259  12.677  -7.622
  755    HB   THR 115           HB       THR 115   0.069  14.916  -7.451
  756    HG1  THR 115           1HG      THR 115   2.220  15.852  -6.516
  757   HG21  THR 115          3HG2      THR 115   1.056  15.742  -4.945
  758   HG22  THR 115          1HG2      THR 115   0.152  14.255  -4.657
  759   HG23  THR 115          2HG2      THR 115  -0.631  15.621  -5.451
  760    H    LYS 116           H        LYS 116   3.154  13.167  -6.112
  761    HA   LYS 116           HA       LYS 116   2.809  11.782  -3.540
  762    HB2  LYS 116           2HB      LYS 116   5.387  11.158  -4.251
  763    HB3  LYS 116           1HB      LYS 116   4.005  10.086  -4.410
  764    HG2  LYS 116           2HG      LYS 116   4.159  10.080  -6.622
  765    HG3  LYS 116           1HG      LYS 116   4.225  11.842  -6.691
  766    HD2  LYS 116           2HD      LYS 116   6.707  11.051  -5.682
  767    HD3  LYS 116           1HD      LYS 116   6.347   9.903  -6.973
  768    HE2  LYS 116           2HE      LYS 116   6.466  11.487  -8.600
  769    HE3  LYS 116           1HE      LYS 116   5.820  12.759  -7.563
  770    HZ1  LYS 116           3HZ      LYS 116   8.479  11.736  -6.910
  771    HZ2  LYS 116           1HZ      LYS 116   7.868  13.314  -6.817
  772    HZ3  LYS 116           2HZ      LYS 116   8.347  12.688  -8.312
  773    H    ALA 117           H        ALA 117   4.515  14.127  -5.474
  774    HA   ALA 117           HA       ALA 117   5.553  15.346  -3.007
  775    HB1  ALA 117           1HB      ALA 117   6.784  15.555  -5.754
  776    HB2  ALA 117           2HB      ALA 117   7.441  16.179  -4.240
  777    HB3  ALA 117           3HB      ALA 117   7.330  14.439  -4.503
  778    H    GLU 118           H        GLU 118   5.140  17.503  -2.711
  779    HA   GLU 118           HA       GLU 118   4.090  19.067  -4.918
  780    HB2  GLU 118           2HB      GLU 118   2.044  19.674  -3.902
  781    HB3  GLU 118           1HB      GLU 118   2.134  17.927  -3.751
  782    HG2  GLU 118           2HG      GLU 118   1.810  18.109  -1.572
  783    HG3  GLU 118           1HG      GLU 118   3.308  19.026  -1.428
  Start of MODEL   20
    1    H1   SER   1           1H       SER   1  28.955   2.086 -12.843
    2    H2   SER   1           2H       SER   1  29.661   1.855 -14.367
    3    H3   SER   1           3H       SER   1  30.563   2.551 -13.114
    4    HA   SER   1           HA       SER   1  29.964  -0.217 -13.666
    5    HB2  SER   1           2HB      SER   1  32.149   0.045 -11.947
    6    HB3  SER   1           1HB      SER   1  32.208  -0.102 -13.704
    7    HG   SER   1           HG       SER   1  33.309   1.767 -12.923
    8    H    LEU   2           H        LEU   2  29.505  -1.771 -12.194
    9    HA   LEU   2           HA       LEU   2  28.609  -2.742 -10.353
   10    HB2  LEU   2           2HB      LEU   2  30.838  -1.110  -9.476
   11    HB3  LEU   2           1HB      LEU   2  29.665  -1.353  -8.197
   12    HG   LEU   2           HG       LEU   2  31.368  -3.054  -8.050
   13   HD11  LEU   2          1HD1      LEU   2  29.972  -5.094  -8.263
   14   HD12  LEU   2          2HD1      LEU   2  29.155  -3.771  -7.430
   15   HD13  LEU   2          3HD1      LEU   2  28.757  -4.134  -9.112
   16   HD21  LEU   2          3HD2      LEU   2  30.976  -3.177 -10.958
   17   HD22  LEU   2          1HD2      LEU   2  32.407  -3.524  -9.986
   18   HD23  LEU   2          2HD2      LEU   2  31.145  -4.744 -10.168
   19    HA   PRO   3           HA       PRO   3  25.478   0.568  -9.503
   20    HB2  PRO   3           2HB      PRO   3  23.388  -0.541 -10.739
   21    HB3  PRO   3           1HB      PRO   3  24.625   0.327 -11.654
   22    HG2  PRO   3           2HG      PRO   3  24.266  -2.623 -11.281
   23    HG3  PRO   3           1HG      PRO   3  24.676  -1.729 -12.755
   24    HD2  PRO   3           2HD      PRO   3  26.514  -3.018 -11.166
   25    HD3  PRO   3           1HD      PRO   3  26.900  -1.650 -12.229
   26    H    ALA   4           H        ALA   4  26.368  -1.947  -8.028
   27    HA   ALA   4           HA       ALA   4  24.094  -3.413  -7.210
   28    HB1  ALA   4           1HB      ALA   4  25.555  -4.694  -6.090
   29    HB2  ALA   4           2HB      ALA   4  26.779  -3.749  -6.938
   30    HB3  ALA   4           3HB      ALA   4  26.310  -3.313  -5.295
   31    H    SER   5           H        SER   5  25.643  -0.529  -5.978
   32    HA   SER   5           HA       SER   5  24.091  -0.454  -3.563
   33    HB2  SER   5           2HB      SER   5  25.291   2.073  -4.306
   34    HB3  SER   5           1HB      SER   5  25.672   1.011  -2.948
   35    HG   SER   5           HG       SER   5  27.485   0.844  -4.067
   36    H    ALA   6           H        ALA   6  23.382   0.217  -6.759
   37    HA   ALA   6           HA       ALA   6  21.518   2.391  -6.122
   38    HB1  ALA   6           1HB      ALA   6  22.467   3.122  -8.031
   39    HB2  ALA   6           2HB      ALA   6  22.908   1.498  -8.563
   40    HB3  ALA   6           3HB      ALA   6  21.258   2.083  -8.786
   41    H    ALA   7           H        ALA   7  21.493  -0.829  -5.999
   42    HA   ALA   7           HA       ALA   7  19.143  -1.552  -7.408
   43    HB1  ALA   7           1HB      ALA   7  21.065  -3.008  -6.355
   44    HB2  ALA   7           2HB      ALA   7  19.975  -3.043  -4.969
   45    HB3  ALA   7           3HB      ALA   7  19.430  -3.647  -6.537
   46    H    LYS   8           H        LYS   8  17.030  -1.790  -6.705
   47    HA   LYS   8           HA       LYS   8  16.331  -1.036  -3.995
   48    HB2  LYS   8           2HB      LYS   8  14.694   0.685  -4.761
   49    HB3  LYS   8           1HB      LYS   8  16.372   1.154  -4.984
   50    HG2  LYS   8           2HG      LYS   8  16.245   1.032  -7.275
   51    HG3  LYS   8           1HG      LYS   8  14.897  -0.107  -7.249
   52    HD2  LYS   8           2HD      LYS   8  13.385   1.538  -7.265
   53    HD3  LYS   8           1HD      LYS   8  14.223   2.418  -5.985
   54    HE2  LYS   8           2HE      LYS   8  15.678   2.518  -8.486
   55    HE3  LYS   8           1HE      LYS   8  14.038   3.136  -8.670
   56    HZ1  LYS   8           3HZ      LYS   8  15.032   5.024  -7.965
   57    HZ2  LYS   8           1HZ      LYS   8  16.268   4.216  -7.130
   58    HZ3  LYS   8           2HZ      LYS   8  14.729   4.369  -6.436
   59    H    ASN   9           H        ASN   9  14.752  -2.210  -3.291
   60    HA   ASN   9           HA       ASN   9  13.102  -3.659  -5.244
   61    HB2  ASN   9           2HB      ASN   9  14.160  -4.479  -2.535
   62    HB3  ASN   9           1HB      ASN   9  12.837  -5.336  -3.320
   63   HD21  ASN   9          1HD2      ASN   9  13.264  -6.305  -5.396
   64   HD22  ASN   9          2HD2      ASN   9  14.864  -6.847  -5.772
   65    H    ALA  10           H        ALA  10  11.471  -4.668  -3.004
   66    HA   ALA  10           HA       ALA  10   9.603  -2.448  -2.945
   67    HB1  ALA  10           1HB      ALA  10   8.433  -4.515  -1.552
   68    HB2  ALA  10           2HB      ALA  10   8.233  -4.184  -3.273
   69    HB3  ALA  10           3HB      ALA  10   9.445  -5.344  -2.730
   70    H    LYS  11           H        LYS  11  11.258  -1.303  -1.508
   71    HA   LYS  11           HA       LYS  11  10.733  -1.983   1.312
   72    HB2  LYS  11           2HB      LYS  11  12.765   0.044   0.480
   73    HB3  LYS  11           1HB      LYS  11  12.694  -0.916   1.949
   74    HG2  LYS  11           2HG      LYS  11  13.758  -2.676   1.011
   75    HG3  LYS  11           1HG      LYS  11  13.054  -2.394  -0.583
   76    HD2  LYS  11           2HD      LYS  11  14.732  -1.024  -1.226
   77    HD3  LYS  11           1HD      LYS  11  14.912  -0.316   0.381
   78    HE2  LYS  11           2HE      LYS  11  15.715  -2.956   0.694
   79    HE3  LYS  11           1HE      LYS  11  16.369  -2.491  -0.873
   80    HZ1  LYS  11           3HZ      LYS  11  16.803  -1.084   1.706
   81    HZ2  LYS  11           1HZ      LYS  11  17.380  -0.543   0.208
   82    HZ3  LYS  11           2HZ      LYS  11  17.947  -2.001   0.862
   83    H    LEU  12           H        LEU  12  10.023  -0.376   2.710
   84    HA   LEU  12           HA       LEU  12   8.550   1.789   1.524
   85    HB2  LEU  12           2HB      LEU  12   8.307   0.349   3.836
   86    HB3  LEU  12           1HB      LEU  12   8.992   1.851   4.428
   87    HG   LEU  12           HG       LEU  12   6.505   1.764   4.500
   88   HD11  LEU  12          1HD1      LEU  12   8.147   3.828   3.227
   89   HD12  LEU  12          2HD1      LEU  12   6.413   3.976   2.942
   90   HD13  LEU  12          3HD1      LEU  12   7.035   3.938   4.591
   91   HD21  LEU  12          3HD2      LEU  12   5.282   1.194   2.735
   92   HD22  LEU  12          1HD2      LEU  12   6.090   2.394   1.720
   93   HD23  LEU  12          2HD2      LEU  12   6.784   0.781   1.903
   94    H    ALA  13           H        ALA  13  11.653   1.354   3.006
   95    HA   ALA  13           HA       ALA  13  12.214   4.017   3.736
   96    HB1  ALA  13           1HB      ALA  13  13.617   1.517   3.666
   97    HB2  ALA  13           2HB      ALA  13  14.648   2.802   3.032
   98    HB3  ALA  13           3HB      ALA  13  13.940   2.951   4.643
   99    H    THR  14           H        THR  14  12.374   2.352   0.682
  100    HA   THR  14           HA       THR  14  14.047   4.231  -0.656
  101    HB   THR  14           HB       THR  14  12.440   2.959  -2.579
  102    HG1  THR  14           1HG      THR  14  11.623   1.490  -1.106
  103   HG21  THR  14          3HG2      THR  14  14.559   1.462  -2.719
  104   HG22  THR  14          1HG2      THR  14  15.194   2.542  -1.480
  105   HG23  THR  14          2HG2      THR  14  14.705   3.190  -3.045
  106    H    SER  15           H        SER  15  10.684   4.030   0.061
  107    HA   SER  15           HA       SER  15   9.901   5.932  -1.990
  108    HB2  SER  15           2HB      SER  15   7.995   5.092   0.122
  109    HB3  SER  15           1HB      SER  15   7.778   5.203  -1.626
  110    HG   SER  15           HG       SER  15   8.067   3.131  -1.643
  111    H    ALA  16           H        ALA  16  11.469   7.512  -0.880
  112    HA   ALA  16           HA       ALA  16  10.631   8.776   1.539
  113    HB1  ALA  16           1HB      ALA  16  12.704   9.568   1.293
  114    HB2  ALA  16           2HB      ALA  16  12.742   9.104  -0.408
  115    HB3  ALA  16           3HB      ALA  16  12.063  10.661   0.067
  116    H    ALA  17           H        ALA  17   9.994   9.153  -1.863
  117    HA   ALA  17           HA       ALA  17   8.492  11.531  -1.806
  118    HB1  ALA  17           1HB      ALA  17   7.605   9.467  -3.703
  119    HB2  ALA  17           2HB      ALA  17   8.135  11.124  -3.992
  120    HB3  ALA  17           3HB      ALA  17   9.329   9.840  -3.761
  121    H    PHE  18           H        PHE  18   7.694   8.252  -0.921
  122    HA   PHE  18           HA       PHE  18   4.847   8.777  -0.791
  123    HB2  PHE  18           2HB      PHE  18   5.494   6.546  -1.434
  124    HB3  PHE  18           1HB      PHE  18   6.514   6.375  -0.010
  125    HD1  PHE  18           1HD      PHE  18   2.952   6.945  -0.968
  126    HD2  PHE  18           2HD      PHE  18   5.677   5.299   1.860
  127    HE1  PHE  18           1HE      PHE  18   1.072   5.949   0.268
  128    HE2  PHE  18           2HE      PHE  18   3.798   4.305   3.096
  129    HZ   PHE  18           HZ       PHE  18   1.494   4.629   2.298
  130    H    ALA  19           H        ALA  19   7.601   8.734   1.329
  131    HA   ALA  19           HA       ALA  19   6.174   8.573   3.776
  132    HB1  ALA  19           1HB      ALA  19   8.741   8.258   3.142
  133    HB2  ALA  19           2HB      ALA  19   8.805   9.917   3.747
  134    HB3  ALA  19           3HB      ALA  19   8.195   8.621   4.778
  135    H    LYS  20           H        LYS  20   6.225  11.016   1.542
  136    HA   LYS  20           HA       LYS  20   6.105  13.227   3.418
  137    HB2  LYS  20           2HB      LYS  20   6.135  12.901   0.479
  138    HB3  LYS  20           1HB      LYS  20   5.111  14.205   1.065
  139    HG2  LYS  20           2HG      LYS  20   6.934  15.469   1.099
  140    HG3  LYS  20           1HG      LYS  20   7.458  14.517   2.490
  141    HD2  LYS  20           2HD      LYS  20   9.184  13.764   1.313
  142    HD3  LYS  20           1HD      LYS  20   8.068  13.031   0.160
  143    HE2  LYS  20           2HE      LYS  20   8.524  14.569  -1.388
  144    HE3  LYS  20           1HE      LYS  20   8.297  15.888  -0.238
  145    HZ1  LYS  20           3HZ      LYS  20  10.487  16.164  -0.634
  146    HZ2  LYS  20           1HZ      LYS  20  10.743  14.539  -1.065
  147    HZ3  LYS  20           2HZ      LYS  20  10.643  14.977   0.570
  148    H    GLN  21           H        GLN  21   4.119  10.937   1.864
  149    HA   GLN  21           HA       GLN  21   1.620  12.269   2.137
  150    HB2  GLN  21           2HB      GLN  21   2.536  10.058   0.780
  151    HB3  GLN  21           1HB      GLN  21   1.557   9.341   2.054
  152    HG2  GLN  21           2HG      GLN  21  -0.221   9.748   0.806
  153    HG3  GLN  21           1HG      GLN  21   0.061  11.461   1.103
  154   HE21  GLN  21          1HE2      GLN  21  -0.256   9.142  -1.248
  155   HE22  GLN  21          2HE2      GLN  21   0.421  10.015  -2.582
  156    H    ALA  22           H        ALA  22   3.573  10.257   4.172
  157    HA   ALA  22           HA       ALA  22   1.559   9.552   6.047
  158    HB1  ALA  22           1HB      ALA  22   3.970   8.594   5.654
  159    HB2  ALA  22           2HB      ALA  22   4.416   9.803   6.860
  160    HB3  ALA  22           3HB      ALA  22   3.234   8.554   7.257
  161    H    GLU  23           H        GLU  23   3.011  12.467   5.318
  162    HA   GLU  23           HA       GLU  23   2.705  13.538   8.025
  163    HB2  GLU  23           2HB      GLU  23   4.849  13.887   6.794
  164    HB3  GLU  23           1HB      GLU  23   3.965  14.847   5.613
  165    HG2  GLU  23           2HG      GLU  23   3.617  16.579   7.089
  166    HG3  GLU  23           1HG      GLU  23   3.823  15.551   8.506
  167    H    GLY  24           H        GLY  24   1.790  14.208   4.660
  168    HA2  GLY  24           1HA      GLY  24   0.146  16.451   5.304
  169    HA3  GLY  24           2HA      GLY  24   0.205  15.614   3.763
  170    H    THR  25           H        THR  25  -0.574  13.066   4.522
  171    HA   THR  25           HA       THR  25  -3.415  13.515   4.907
  172    HB   THR  25           HB       THR  25  -2.639  10.729   4.653
  173    HG1  THR  25           1HG      THR  25  -0.857  11.365   3.522
  174   HG21  THR  25          3HG2      THR  25  -3.903  11.677   2.318
  175   HG22  THR  25          1HG2      THR  25  -4.602  12.578   3.664
  176   HG23  THR  25          2HG2      THR  25  -4.644  10.815   3.664
  177    H    THR  26           H        THR  26  -4.603  12.876   6.645
  178    HA   THR  26           HA       THR  26  -3.152  12.323   9.065
  179    HB   THR  26           HB       THR  26  -5.954  12.174   9.504
  180    HG1  THR  26           1HG      THR  26  -6.715  13.938   8.399
  181   HG21  THR  26          3HG2      THR  26  -4.104  13.167  10.933
  182   HG22  THR  26          1HG2      THR  26  -5.594  14.101  10.840
  183   HG23  THR  26          2HG2      THR  26  -4.190  14.589   9.890
  184    H    CYS  27           H        CYS  27  -2.389  10.248   8.978
  185    HA   CYS  27           HA       CYS  27  -4.380   8.171   9.488
  186    HB2  CYS  27           2HB      CYS  27  -2.152   7.904   7.444
  187    HB3  CYS  27           1HB      CYS  27  -3.091   6.550   8.062
  188    H    ASN  28           H        ASN  28  -2.925   6.057  10.054
  189    HA   ASN  28           HA       ASN  28  -1.026   7.001  12.083
  190    HB2  ASN  28           2HB      ASN  28  -2.874   5.698  12.981
  191    HB3  ASN  28           1HB      ASN  28  -2.548   4.391  11.852
  192   HD21  ASN  28          1HD2      ASN  28  -2.011   2.767  13.171
  193   HD22  ASN  28          2HD2      ASN  28  -0.722   2.808  14.328
  194    H    VAL  29           H        VAL  29   1.080   6.380  12.043
  195    HA   VAL  29           HA       VAL  29   2.171   5.529   9.596
  196    HB   VAL  29           HB       VAL  29   3.272   6.901  11.494
  197   HG11  VAL  29          1HG1      VAL  29   4.148   4.145  12.346
  198   HG12  VAL  29          2HG1      VAL  29   4.696   5.681  13.015
  199   HG13  VAL  29          3HG1      VAL  29   3.022   5.168  13.235
  200   HG21  VAL  29          3HG2      VAL  29   4.280   6.152   9.300
  201   HG22  VAL  29          1HG2      VAL  29   5.417   6.486  10.604
  202   HG23  VAL  29          2HG2      VAL  29   5.009   4.818  10.196
  203    H    GLY  30           H        GLY  30   1.206   3.734  12.441
  204    HA2  GLY  30           1HA      GLY  30   2.467   1.282  11.489
  205    HA3  GLY  30           2HA      GLY  30   1.527   1.465  12.965
  206    H    SER  31           H        SER  31  -0.042   2.891  10.385
  207    HA   SER  31           HA       SER  31  -1.387   0.488   9.485
  208    HB2  SER  31           2HB      SER  31  -3.132   2.680  10.568
  209    HB3  SER  31           1HB      SER  31  -3.526   0.987  10.272
  210    HG   SER  31           HG       SER  31  -1.724   0.752  12.022
  211    H    ILE  32           H        ILE  32   0.273   2.221   8.098
  212    HA   ILE  32           HA       ILE  32  -1.577   3.786   6.465
  213    HB   ILE  32           HB       ILE  32   0.847   4.553   7.295
  214   HG12  ILE  32          2HG1      ILE  32   0.161   5.376   4.519
  215   HG13  ILE  32          1HG1      ILE  32  -1.056   5.606   5.767
  216   HG21  ILE  32          1HG2      ILE  32   1.961   4.261   4.734
  217   HG22  ILE  32          2HG2      ILE  32   2.548   3.592   6.257
  218   HG23  ILE  32          3HG2      ILE  32   1.448   2.652   5.246
  219   HD11  ILE  32          3HD1      ILE  32  -0.062   7.526   6.238
  220   HD12  ILE  32          1HD1      ILE  32   1.285   6.590   6.884
  221   HD13  ILE  32          2HD1      ILE  32   1.312   7.136   5.208
  222    H    ALA  33           H        ALA  33  -1.923   3.356   4.300
  223    HA   ALA  33           HA       ALA  33  -0.781   0.920   3.197
  224    HB1  ALA  33           1HB      ALA  33  -3.378   1.058   4.463
  225    HB2  ALA  33           2HB      ALA  33  -3.486   0.531   2.781
  226    HB3  ALA  33           3HB      ALA  33  -2.461  -0.349   3.916
  227    H    CYS  34           H        CYS  34  -1.362   0.555   0.998
  228    HA   CYS  34           HA       CYS  34  -2.403   2.938  -0.386
  229    HB2  CYS  34           2HB      CYS  34  -0.305   0.926  -1.154
  230    HB3  CYS  34           1HB      CYS  34  -1.176   1.819  -2.396
  231    H    CYS  35           H        CYS  35  -4.175   2.691  -1.597
  232    HA   CYS  35           HA       CYS  35  -5.197  -0.039  -2.013
  233    HB2  CYS  35           2HB      CYS  35  -7.035   2.310  -1.698
  234    HB3  CYS  35           1HB      CYS  35  -7.359   0.604  -1.418
  235    H    ASN  36           H        ASN  36  -6.813  -0.149  -3.805
  236    HA   ASN  36           HA       ASN  36  -6.500   1.886  -5.866
  237    HB2  ASN  36           2HB      ASN  36  -4.693  -0.053  -5.988
  238    HB3  ASN  36           1HB      ASN  36  -6.021  -0.943  -6.717
  239   HD21  ASN  36          1HD2      ASN  36  -7.016  -0.007  -8.624
  240   HD22  ASN  36          2HD2      ASN  36  -6.026   0.914  -9.713
  241    H    SER  37           H        SER  37  -8.017   1.612  -7.630
  242    HA   SER  37           HA       SER  37 -10.595   0.913  -6.961
  243    HB2  SER  37           2HB      SER  37 -10.010   0.538  -9.799
  244    HB3  SER  37           1HB      SER  37 -11.026   1.746  -9.008
  245    HG   SER  37           HG       SER  37  -9.401   2.934  -9.812
  246    HA   PRO  38           HA       PRO  38 -10.975  -3.376  -6.528
  247    HB2  PRO  38           2HB      PRO  38 -13.305  -3.146  -8.386
  248    HB3  PRO  38           1HB      PRO  38 -13.198  -3.922  -6.802
  249    HG2  PRO  38           2HG      PRO  38 -14.345  -1.540  -7.069
  250    HG3  PRO  38           1HG      PRO  38 -13.331  -1.908  -5.660
  251    HD2  PRO  38           2HD      PRO  38 -12.738  -0.216  -8.034
  252    HD3  PRO  38           1HD      PRO  38 -12.178  -0.051  -6.360
  253    H    ALA  39           H        ALA  39 -11.475  -2.362  -9.941
  254    HA   ALA  39           HA       ALA  39 -11.191  -4.989 -10.964
  255    HB1  ALA  39           1HB      ALA  39 -11.393  -4.059 -13.078
  256    HB2  ALA  39           2HB      ALA  39 -12.236  -2.894 -12.055
  257    HB3  ALA  39           3HB      ALA  39 -10.594  -2.559 -12.607
  258    H    GLU  40           H        GLU  40  -8.859  -2.810  -9.829
  259    HA   GLU  40           HA       GLU  40  -6.697  -4.062 -11.366
  260    HB2  GLU  40           2HB      GLU  40  -7.033  -1.518  -9.890
  261    HB3  GLU  40           1HB      GLU  40  -5.442  -2.258  -9.789
  262    HG2  GLU  40           2HG      GLU  40  -5.751  -2.408 -12.413
  263    HG3  GLU  40           1HG      GLU  40  -6.842  -1.055 -12.106
  264    H    THR  41           H        THR  41  -7.633  -3.301  -8.056
  265    HA   THR  41           HA       THR  41  -5.700  -4.792  -6.703
  266    HB   THR  41           HB       THR  41  -8.522  -4.400  -5.729
  267    HG1  THR  41           1HG      THR  41  -8.190  -2.290  -5.601
  268   HG21  THR  41          3HG2      THR  41  -7.660  -4.515  -3.612
  269   HG22  THR  41          1HG2      THR  41  -6.067  -3.939  -4.110
  270   HG23  THR  41          2HG2      THR  41  -6.554  -5.600  -4.456
  271    H    ASN  42           H        ASN  42  -8.753  -5.685  -8.133
  272    HA   ASN  42           HA       ASN  42  -8.517  -8.433  -7.124
  273    HB2  ASN  42           2HB      ASN  42 -10.763  -6.647  -7.800
  274    HB3  ASN  42           1HB      ASN  42 -10.960  -8.316  -8.312
  275   HD21  ASN  42          1HD2      ASN  42  -9.382  -6.899  -5.504
  276   HD22  ASN  42          2HD2      ASN  42 -10.340  -7.725  -4.324
  277    H    ASN  43           H        ASN  43  -7.209  -6.996  -9.490
  278    HA   ASN  43           HA       ASN  43  -8.215  -7.842 -11.930
  279    HB2  ASN  43           2HB      ASN  43  -6.275  -6.251 -11.476
  280    HB3  ASN  43           1HB      ASN  43  -5.267  -7.688 -11.334
  281   HD21  ASN  43          1HD2      ASN  43  -7.664  -6.242 -13.511
  282   HD22  ASN  43          2HD2      ASN  43  -6.874  -6.731 -14.977
  283    H    ASP  44           H        ASP  44  -6.122  -9.561  -9.677
  284    HA   ASP  44           HA       ASP  44  -6.176 -11.890 -11.462
  285    HB2  ASP  44           2HB      ASP  44  -3.951 -11.076 -10.666
  286    HB3  ASP  44           1HB      ASP  44  -4.444 -11.460  -9.018
  287    H    SER  45           H        SER  45  -6.828 -13.913 -10.723
  288    HA   SER  45           HA       SER  45  -9.060 -13.927  -9.019
  289    HB2  SER  45           2HB      SER  45  -7.976 -16.564  -9.334
  290    HB3  SER  45           1HB      SER  45  -9.397 -15.857 -10.103
  291    HG   SER  45           HG       SER  45  -6.838 -16.212 -11.089
  292    H    LEU  46           H        LEU  46  -5.672 -14.722  -8.462
  293    HA   LEU  46           HA       LEU  46  -6.275 -15.720  -5.782
  294    HB2  LEU  46           2HB      LEU  46  -4.425 -16.510  -7.595
  295    HB3  LEU  46           1HB      LEU  46  -3.466 -15.395  -6.639
  296    HG   LEU  46           HG       LEU  46  -3.978 -16.674  -4.610
  297   HD11  LEU  46          1HD1      LEU  46  -5.163 -18.872  -6.239
  298   HD12  LEU  46          2HD1      LEU  46  -5.352 -18.509  -4.522
  299   HD13  LEU  46          3HD1      LEU  46  -6.195 -17.536  -5.727
  300   HD21  LEU  46          3HD2      LEU  46  -2.465 -18.396  -5.008
  301   HD22  LEU  46          1HD2      LEU  46  -3.024 -18.634  -6.666
  302   HD23  LEU  46          2HD2      LEU  46  -2.066 -17.211  -6.253
  303    H    LEU  47           H        LEU  47  -5.184 -12.895  -7.389
  304    HA   LEU  47           HA       LEU  47  -3.629 -11.672  -5.421
  305    HB2  LEU  47           2HB      LEU  47  -4.498 -11.007  -7.941
  306    HB3  LEU  47           1HB      LEU  47  -5.315  -9.826  -6.939
  307    HG   LEU  47           HG       LEU  47  -3.019  -9.226  -7.944
  308   HD11  LEU  47          1HD1      LEU  47  -2.390  -8.264  -5.528
  309   HD12  LEU  47          2HD1      LEU  47  -3.686  -7.603  -6.527
  310   HD13  LEU  47          3HD1      LEU  47  -4.064  -8.736  -5.228
  311   HD21  LEU  47          3HD2      LEU  47  -1.345  -9.949  -5.924
  312   HD22  LEU  47          1HD2      LEU  47  -2.329 -11.402  -6.110
  313   HD23  LEU  47          2HD2      LEU  47  -1.444 -10.753  -7.491
  314    H    SER  48           H        SER  48  -7.101 -11.937  -5.730
  315    HA   SER  48           HA       SER  48  -7.839  -9.799  -4.075
  316    HB2  SER  48           2HB      SER  48  -9.772 -11.874  -3.865
  317    HB3  SER  48           1HB      SER  48  -9.820 -10.427  -4.882
  318    HG   SER  48           HG       SER  48  -9.905 -12.124  -6.271
  319    H    GLY  49           H        GLY  49  -6.371 -12.766  -3.235
  320    HA2  GLY  49           1HA      GLY  49  -6.993 -12.222  -0.392
  321    HA3  GLY  49           2HA      GLY  49  -6.589 -13.817  -1.012
  322    H    LEU  50           H        LEU  50  -4.577 -12.399  -2.807
  323    HA   LEU  50           HA       LEU  50  -2.381 -12.748  -0.965
  324    HB2  LEU  50           2HB      LEU  50  -2.779 -12.902  -3.823
  325    HB3  LEU  50           1HB      LEU  50  -1.358 -11.949  -3.437
  326    HG   LEU  50           HG       LEU  50  -0.557 -13.873  -2.024
  327   HD11  LEU  50          1HD1      LEU  50  -2.535 -15.565  -3.499
  328   HD12  LEU  50          2HD1      LEU  50  -1.582 -15.949  -2.068
  329   HD13  LEU  50          3HD1      LEU  50  -2.953 -14.846  -1.944
  330   HD21  LEU  50          3HD2      LEU  50  -0.517 -13.512  -4.833
  331   HD22  LEU  50          1HD2      LEU  50   0.676 -14.318  -3.814
  332   HD23  LEU  50          2HD2      LEU  50  -0.651 -15.243  -4.518
  333    H    LEU  51           H        LEU  51  -4.252 -10.148  -1.880
  334    HA   LEU  51           HA       LEU  51  -2.262  -8.113  -2.070
  335    HB2  LEU  51           2HB      LEU  51  -4.448  -6.740  -1.263
  336    HB3  LEU  51           1HB      LEU  51  -4.146  -7.207  -2.926
  337    HG   LEU  51           HG       LEU  51  -5.489  -9.361  -2.273
  338   HD11  LEU  51          1HD1      LEU  51  -6.550  -7.383  -0.264
  339   HD12  LEU  51          2HD1      LEU  51  -7.204  -8.982  -0.615
  340   HD13  LEU  51          3HD1      LEU  51  -5.611  -8.825   0.118
  341   HD21  LEU  51          3HD2      LEU  51  -6.970  -8.467  -3.653
  342   HD22  LEU  51          1HD2      LEU  51  -7.477  -7.296  -2.435
  343   HD23  LEU  51          2HD2      LEU  51  -6.118  -6.933  -3.499
  344    H    GLY  52           H        GLY  52  -3.350  -9.996   0.443
  345    HA2  GLY  52           1HA      GLY  52  -2.181  -8.131   2.391
  346    HA3  GLY  52           2HA      GLY  52  -3.608  -9.089   2.777
  347    H    ALA  53           H        ALA  53  -3.080 -10.667   4.085
  348    HA   ALA  53           HA       ALA  53  -1.289 -12.718   3.316
  349    HB1  ALA  53           1HB      ALA  53  -0.180 -11.976   5.843
  350    HB2  ALA  53           2HB      ALA  53   0.634 -12.110   4.283
  351    HB3  ALA  53           3HB      ALA  53  -0.095 -10.581   4.770
  352    H    GLY  54           H        GLY  54  -3.332 -11.157   5.614
  353    HA2  GLY  54           1HA      GLY  54  -4.190 -13.817   6.545
  354    HA3  GLY  54           2HA      GLY  54  -4.160 -12.414   7.611
  355    H    LEU  55           H        LEU  55  -6.446 -12.796   7.940
  356    HA   LEU  55           HA       LEU  55  -8.285 -12.550   5.762
  357    HB2  LEU  55           2HB      LEU  55  -8.377 -13.278   8.502
  358    HB3  LEU  55           1HB      LEU  55  -9.501 -11.951   8.284
  359    HG   LEU  55           HG       LEU  55 -10.327 -14.405   8.029
  360   HD11  LEU  55          1HD1      LEU  55 -11.301 -12.010   7.259
  361   HD12  LEU  55          2HD1      LEU  55 -11.249 -12.855   5.712
  362   HD13  LEU  55          3HD1      LEU  55 -12.157 -13.539   7.063
  363   HD21  LEU  55          3HD2      LEU  55  -8.777 -15.295   6.489
  364   HD22  LEU  55          1HD2      LEU  55 -10.275 -15.068   5.584
  365   HD23  LEU  55          2HD2      LEU  55  -8.954 -13.917   5.401
  366    H    LEU  56           H        LEU  56  -7.009 -10.512   5.124
  367    HA   LEU  56           HA       LEU  56  -7.508  -8.089   6.473
  368    HB2  LEU  56           2HB      LEU  56  -6.670  -6.943   4.564
  369    HB3  LEU  56           1HB      LEU  56  -5.691  -8.358   4.811
  370    HG   LEU  56           HG       LEU  56  -5.875  -8.260   2.517
  371   HD11  LEU  56          1HD1      LEU  56  -8.275  -9.887   2.487
  372   HD12  LEU  56          2HD1      LEU  56  -6.617 -10.287   2.037
  373   HD13  LEU  56          3HD1      LEU  56  -7.123 -10.385   3.724
  374   HD21  LEU  56          3HD2      LEU  56  -8.531  -8.031   1.747
  375   HD22  LEU  56          1HD2      LEU  56  -8.337  -6.867   3.057
  376   HD23  LEU  56          2HD2      LEU  56  -7.278  -6.793   1.648
  377    H    ASN  57           H        ASN  57  -8.935  -6.421   6.073
  378    HA   ASN  57           HA       ASN  57 -11.270  -7.123   4.438
  379    HB2  ASN  57           2HB      ASN  57 -11.547  -6.549   6.946
  380    HB3  ASN  57           1HB      ASN  57 -11.196  -4.891   6.466
  381   HD21  ASN  57          1HD2      ASN  57 -13.380  -4.616   7.399
  382   HD22  ASN  57          2HD2      ASN  57 -14.735  -4.824   6.351
  383    H    GLY  58           H        GLY  58 -12.296  -4.787   3.730
  384    HA2  GLY  58           1HA      GLY  58 -10.089  -3.673   2.105
  385    HA3  GLY  58           2HA      GLY  58 -11.739  -3.861   1.526
  386    H    LEU  59           H        LEU  59 -11.751  -1.641   0.968
  387    HA   LEU  59           HA       LEU  59 -11.343   0.428   2.837
  388    HB2  LEU  59           2HB      LEU  59 -11.821   0.266   0.141
  389    HB3  LEU  59           1HB      LEU  59 -13.325   0.937   0.738
  390    HG   LEU  59           HG       LEU  59 -11.132   2.340   1.925
  391   HD11  LEU  59          1HD1      LEU  59 -10.882   3.209  -0.750
  392   HD12  LEU  59          2HD1      LEU  59  -9.638   2.535   0.300
  393   HD13  LEU  59          3HD1      LEU  59 -10.596   1.468  -0.729
  394   HD21  LEU  59          3HD2      LEU  59 -13.446   3.144   1.671
  395   HD22  LEU  59          1HD2      LEU  59 -12.262   4.261   0.987
  396   HD23  LEU  59          2HD2      LEU  59 -13.207   3.219  -0.076
  397    H    SER  60           H        SER  60 -12.689   1.451   4.204
  398    HA   SER  60           HA       SER  60 -14.803   0.106   5.396
  399    HB2  SER  60           2HB      SER  60 -14.381   3.101   5.445
  400    HB3  SER  60           1HB      SER  60 -15.118   2.098   6.693
  401    HG   SER  60           HG       SER  60 -12.494   2.631   6.231
  402    H    GLY  61           H        GLY  61 -16.409  -0.554   4.053
  403    HA2  GLY  61           1HA      GLY  61 -18.596  -0.243   3.288
  404    HA3  GLY  61           2HA      GLY  61 -18.334   1.492   3.296
  405    H    ASN  62           H        ASN  62 -15.935  -0.411   1.746
  406    HA   ASN  62           HA       ASN  62 -17.140   0.132  -0.889
  407    HB2  ASN  62           2HB      ASN  62 -14.840   1.357   0.161
  408    HB3  ASN  62           1HB      ASN  62 -14.254   0.155  -0.985
  409   HD21  ASN  62          1HD2      ASN  62 -13.634   2.488  -1.711
  410   HD22  ASN  62          2HD2      ASN  62 -14.664   3.161  -2.921
  411    H    THR  63           H        THR  63 -17.787  -1.911  -1.260
  412    HA   THR  63           HA       THR  63 -16.174  -4.187  -0.646
  413    HB   THR  63           HB       THR  63 -18.269  -4.790  -2.523
  414    HG1  THR  63           1HG      THR  63 -19.924  -4.006  -0.848
  415   HG21  THR  63          3HG2      THR  63 -18.295  -6.538  -1.146
  416   HG22  THR  63          1HG2      THR  63 -18.984  -5.519   0.117
  417   HG23  THR  63          2HG2      THR  63 -17.234  -5.693  -0.019
  418    H    GLY  64           H        GLY  64 -14.240  -3.832  -1.828
  419    HA2  GLY  64           1HA      GLY  64 -13.808  -5.327  -4.011
  420    HA3  GLY  64           2HA      GLY  64 -14.370  -3.824  -4.732
  421    H    SER  65           H        SER  65 -13.242  -1.981  -3.022
  422    HA   SER  65           HA       SER  65 -10.504  -2.030  -3.899
  423    HB2  SER  65           2HB      SER  65 -11.273   0.096  -2.029
  424    HB3  SER  65           1HB      SER  65 -10.620   0.212  -3.665
  425    HG   SER  65           HG       SER  65 -12.567   0.699  -4.255
  426    H    ALA  66           H        ALA  66  -9.373  -3.561  -2.782
  427    HA   ALA  66           HA       ALA  66  -9.355  -3.504   0.127
  428    HB1  ALA  66           1HB      ALA  66  -9.016  -5.682  -0.244
  429    HB2  ALA  66           2HB      ALA  66  -8.564  -5.409  -1.929
  430    HB3  ALA  66           3HB      ALA  66  -7.359  -5.241  -0.649
  431    H    CYS  67           H        CYS  67  -6.997  -3.663   1.098
  432    HA   CYS  67           HA       CYS  67  -5.355  -1.604  -0.196
  433    HB2  CYS  67           2HB      CYS  67  -6.225  -1.578   2.696
  434    HB3  CYS  67           1HB      CYS  67  -5.060  -0.473   1.978
  435    H    ALA  68           H        ALA  68  -3.193  -1.836   0.031
  436    HA   ALA  68           HA       ALA  68  -2.279  -4.154   1.597
  437    HB1  ALA  68           1HB      ALA  68  -0.132  -3.297   0.076
  438    HB2  ALA  68           2HB      ALA  68  -1.197  -4.653  -0.290
  439    HB3  ALA  68           3HB      ALA  68  -1.519  -3.065  -0.989
  440    H    LYS  69           H        LYS  69  -1.134  -3.802   3.382
  441    HA   LYS  69           HA       LYS  69  -0.657  -1.058   4.169
  442    HB2  LYS  69           2HB      LYS  69   0.257  -2.895   6.151
  443    HB3  LYS  69           1HB      LYS  69  -1.147  -1.838   6.203
  444    HG2  LYS  69           2HG      LYS  69  -1.377  -4.401   4.706
  445    HG3  LYS  69           1HG      LYS  69  -1.355  -4.463   6.466
  446    HD2  LYS  69           2HD      LYS  69  -3.307  -3.131   6.637
  447    HD3  LYS  69           1HD      LYS  69  -3.210  -2.650   4.942
  448    HE2  LYS  69           2HE      LYS  69  -4.074  -4.636   4.186
  449    HE3  LYS  69           1HE      LYS  69  -3.468  -5.552   5.562
  450    HZ1  LYS  69           3HZ      LYS  69  -5.210  -4.114   6.848
  451    HZ2  LYS  69           1HZ      LYS  69  -5.698  -5.505   6.015
  452    HZ3  LYS  69           2HZ      LYS  69  -5.937  -3.979   5.325
  453    H    ALA  70           H        ALA  70   1.400  -0.385   5.125
  454    HA   ALA  70           HA       ALA  70   3.517  -0.782   3.355
  455    HB1  ALA  70           1HB      ALA  70   4.687   0.741   4.593
  456    HB2  ALA  70           2HB      ALA  70   3.042   1.089   5.133
  457    HB3  ALA  70           3HB      ALA  70   4.108   0.101   6.133
  458    H    SER  71           H        SER  71   2.866  -2.349   6.462
  459    HA   SER  71           HA       SER  71   5.277  -3.780   6.679
  460    HB2  SER  71           2HB      SER  71   2.534  -4.035   7.807
  461    HB3  SER  71           1HB      SER  71   3.583  -5.449   7.909
  462    HG   SER  71           HG       SER  71   3.839  -4.162   9.738
  463    H    LEU  72           H        LEU  72   2.382  -4.306   4.807
  464    HA   LEU  72           HA       LEU  72   3.103  -7.029   4.135
  465    HB2  LEU  72           2HB      LEU  72   0.738  -5.349   3.925
  466    HB3  LEU  72           1HB      LEU  72   1.030  -6.283   2.469
  467    HG   LEU  72           HG       LEU  72   0.701  -8.310   3.533
  468   HD11  LEU  72          1HD1      LEU  72   0.832  -7.179   6.296
  469   HD12  LEU  72          2HD1      LEU  72   1.139  -8.826   5.740
  470   HD13  LEU  72          3HD1      LEU  72   2.322  -7.557   5.427
  471   HD21  LEU  72          3HD2      LEU  72  -1.417  -7.249   3.462
  472   HD22  LEU  72          1HD2      LEU  72  -1.293  -8.019   5.045
  473   HD23  LEU  72          2HD2      LEU  72  -1.055  -6.278   4.888
  474    H    ILE  73           H        ILE  73   3.532  -3.860   2.857
  475    HA   ILE  73           HA       ILE  73   4.137  -4.582   0.199
  476    HB   ILE  73           HB       ILE  73   4.632  -2.222   1.914
  477   HG12  ILE  73          2HG1      ILE  73   4.205  -1.706  -0.882
  478   HG13  ILE  73          1HG1      ILE  73   3.079  -2.939  -0.326
  479   HG21  ILE  73          1HG2      ILE  73   6.439  -2.890  -0.394
  480   HG22  ILE  73          2HG2      ILE  73   6.184  -1.240   0.178
  481   HG23  ILE  73          3HG2      ILE  73   6.885  -2.449   1.256
  482   HD11  ILE  73          3HD1      ILE  73   3.448  -0.185   0.823
  483   HD12  ILE  73          1HD1      ILE  73   2.075  -0.774  -0.115
  484   HD13  ILE  73          2HD1      ILE  73   2.389  -1.424   1.496
  485    H    ASP  74           H        ASP  74   5.955  -4.482   3.178
  486    HA   ASP  74           HA       ASP  74   8.427  -5.386   2.022
  487    HB2  ASP  74           2HB      ASP  74   8.106  -3.964   4.136
  488    HB3  ASP  74           1HB      ASP  74   7.665  -5.468   4.939
  489    H    GLN  75           H        GLN  75   5.545  -6.880   2.652
  490    HA   GLN  75           HA       GLN  75   6.674  -9.431   3.511
  491    HB2  GLN  75           2HB      GLN  75   4.331  -8.129   4.163
  492    HB3  GLN  75           1HB      GLN  75   3.789  -9.307   2.978
  493    HG2  GLN  75           2HG      GLN  75   3.548 -10.254   5.145
  494    HG3  GLN  75           1HG      GLN  75   4.870 -11.081   4.328
  495   HE21  GLN  75          1HE2      GLN  75   5.349  -7.885   5.554
  496   HE22  GLN  75          2HE2      GLN  75   6.340  -8.325   6.894
  497    H    LEU  76           H        LEU  76   4.872  -7.951   0.865
  498    HA   LEU  76           HA       LEU  76   5.602 -10.223  -0.843
  499    HB2  LEU  76           2HB      LEU  76   2.879  -8.933  -0.667
  500    HB3  LEU  76           1HB      LEU  76   3.358 -10.061  -1.919
  501    HG   LEU  76           HG       LEU  76   3.912 -11.501   0.335
  502   HD11  LEU  76          1HD1      LEU  76   1.601  -9.669   0.901
  503   HD12  LEU  76          2HD1      LEU  76   1.760 -11.250   1.664
  504   HD13  LEU  76          3HD1      LEU  76   3.001 -10.024   1.913
  505   HD21  LEU  76          3HD2      LEU  76   1.177 -11.493  -0.878
  506   HD22  LEU  76          1HD2      LEU  76   2.586 -11.996  -1.810
  507   HD23  LEU  76          2HD2      LEU  76   2.151 -12.859  -0.338
  508    H    GLY  77           H        GLY  77   3.868  -7.110  -1.091
  509    HA2  GLY  77           1HA      GLY  77   4.634  -5.219  -2.300
  510    HA3  GLY  77           2HA      GLY  77   5.815  -6.240  -3.102
  511    H    LEU  78           H        LEU  78   2.280  -6.431  -2.742
  512    HA   LEU  78           HA       LEU  78   1.793  -7.518  -5.275
  513    HB2  LEU  78           2HB      LEU  78  -0.051  -5.898  -3.516
  514    HB3  LEU  78           1HB      LEU  78  -0.562  -6.840  -4.901
  515    HG   LEU  78           HG       LEU  78  -1.081  -8.254  -3.160
  516   HD11  LEU  78          1HD1      LEU  78   0.347  -9.431  -4.752
  517   HD12  LEU  78          2HD1      LEU  78   1.768  -9.006  -3.794
  518   HD13  LEU  78          3HD1      LEU  78   0.532 -10.072  -3.120
  519   HD21  LEU  78          3HD2      LEU  78   0.934  -8.560  -1.368
  520   HD22  LEU  78          1HD2      LEU  78   1.110  -6.855  -1.798
  521   HD23  LEU  78          2HD2      LEU  78  -0.427  -7.455  -1.170
  522    H    LEU  79           H        LEU  79   2.303  -6.574  -7.134
  523    HA   LEU  79           HA       LEU  79   2.768  -3.766  -7.328
  524    HB2  LEU  79           2HB      LEU  79   2.691  -5.052  -9.899
  525    HB3  LEU  79           1HB      LEU  79   4.056  -4.363  -9.043
  526    HG   LEU  79           HG       LEU  79   3.669  -6.766  -7.743
  527   HD11  LEU  79          1HD1      LEU  79   3.322  -7.228 -10.700
  528   HD12  LEU  79          2HD1      LEU  79   3.459  -8.457  -9.442
  529   HD13  LEU  79          3HD1      LEU  79   2.044  -7.403  -9.498
  530   HD21  LEU  79          3HD2      LEU  79   5.731  -5.503  -8.772
  531   HD22  LEU  79          1HD2      LEU  79   5.787  -7.241  -8.478
  532   HD23  LEU  79          2HD2      LEU  79   5.479  -6.632 -10.103
  533    H    ALA  80           H        ALA  80  -0.098  -4.974  -7.077
  534    HA   ALA  80           HA       ALA  80  -1.346  -3.578  -9.314
  535    HB1  ALA  80           1HB      ALA  80  -2.448  -5.601  -8.820
  536    HB2  ALA  80           2HB      ALA  80  -2.423  -5.288  -7.088
  537    HB3  ALA  80           3HB      ALA  80  -3.481  -4.347  -8.136
  538    H    LEU  81           H        LEU  81  -0.560  -3.201  -5.980
  539    HA   LEU  81           HA       LEU  81  -2.358  -0.893  -5.724
  540    HB2  LEU  81           2HB      LEU  81  -1.388  -2.969  -3.885
  541    HB3  LEU  81           1HB      LEU  81  -1.401  -1.351  -3.211
  542    HG   LEU  81           HG       LEU  81  -3.705  -1.188  -3.274
  543   HD11  LEU  81          1HD1      LEU  81  -3.907  -3.469  -5.220
  544   HD12  LEU  81          2HD1      LEU  81  -5.173  -2.348  -4.727
  545   HD13  LEU  81          3HD1      LEU  81  -3.829  -1.778  -5.711
  546   HD21  LEU  81          3HD2      LEU  81  -2.647  -3.685  -2.372
  547   HD22  LEU  81          1HD2      LEU  81  -3.982  -2.740  -1.717
  548   HD23  LEU  81          2HD2      LEU  81  -4.278  -3.922  -2.991
  549    H    VAL  82           H        VAL  82   0.784  -1.481  -6.488
  550    HA   VAL  82           HA       VAL  82   1.652   1.031  -5.231
  551    HB   VAL  82           HB       VAL  82   4.000  -0.374  -5.820
  552   HG11  VAL  82          1HG1      VAL  82   2.619   0.112  -3.193
  553   HG12  VAL  82          2HG1      VAL  82   4.305  -0.362  -3.374
  554   HG13  VAL  82          3HG1      VAL  82   3.754   1.189  -4.011
  555   HG21  VAL  82          3HG2      VAL  82   3.803  -2.537  -5.303
  556   HG22  VAL  82          1HG2      VAL  82   2.738  -2.204  -3.937
  557   HG23  VAL  82          2HG2      VAL  82   2.072  -2.312  -5.567
  558    H    ASP  83           H        ASP  83   2.563   2.491  -6.450
  559    HA   ASP  83           HA       ASP  83   2.832   2.032  -9.317
  560    HB2  ASP  83           2HB      ASP  83   1.698   4.075  -8.699
  561    HB3  ASP  83           1HB      ASP  83   2.982   4.520  -7.584
  562    H    HIS  84           H        HIS  84   4.974   3.317 -10.196
  563    HA   HIS  84           HA       HIS  84   7.180   2.564  -8.465
  564    HB2  HIS  84           2HB      HIS  84   6.353   0.844 -10.487
  565    HB3  HIS  84           1HB      HIS  84   7.753   1.682 -11.160
  566    HD1  HIS  84           1HD      HIS  84   9.820   1.824  -9.260
  567    HD2  HIS  84           2HD      HIS  84   7.105  -1.313  -9.059
  568    HE1  HIS  84           1HE      HIS  84  10.872   0.123  -7.755
  569    HE2  HIS  84           2HE      HIS  84   9.382  -1.905  -7.984
  570    H    THR  85           H        THR  85   7.027   4.877  -8.429
  571    HA   THR  85           HA       THR  85   7.917   6.394 -10.665
  572    HB   THR  85           HB       THR  85   7.872   7.002  -7.698
  573    HG1  THR  85           1HG      THR  85   5.835   6.627  -9.176
  574   HG21  THR  85          3HG2      THR  85   9.379   8.516  -8.670
  575   HG22  THR  85          1HG2      THR  85   7.845   9.370  -8.518
  576   HG23  THR  85          2HG2      THR  85   8.349   8.738 -10.084
  577    H    GLU  86           H        GLU  86  10.053   7.531 -10.733
  578    HA   GLU  86           HA       GLU  86  12.189   5.770 -10.728
  579    HB2  GLU  86           2HB      GLU  86  12.339   8.775 -10.468
  580    HB3  GLU  86           1HB      GLU  86  13.621   7.719 -11.044
  581    HG2  GLU  86           2HG      GLU  86  12.864   8.145 -13.080
  582    HG3  GLU  86           1HG      GLU  86  11.507   7.090 -12.686
  583    H    GLU  87           H        GLU  87  11.155   7.969  -8.179
  584    HA   GLU  87           HA       GLU  87  13.343   7.780  -6.459
  585    HB2  GLU  87           2HB      GLU  87  10.738   8.841  -6.377
  586    HB3  GLU  87           1HB      GLU  87  10.878   7.780  -4.983
  587    HG2  GLU  87           2HG      GLU  87  13.207   9.481  -5.337
  588    HG3  GLU  87           1HG      GLU  87  11.714  10.389  -5.114
  589    H    GLY  88           H        GLY  88  10.290   5.989  -6.193
  590    HA2  GLY  88           1HA      GLY  88  11.492   3.459  -5.841
  591    HA3  GLY  88           2HA      GLY  88  11.064   4.152  -4.276
  592    HA   PRO  89           HA       PRO  89   7.255   2.178  -6.147
  593    HB2  PRO  89           2HB      PRO  89   7.103   0.620  -3.670
  594    HB3  PRO  89           1HB      PRO  89   7.128   0.046  -5.338
  595    HG2  PRO  89           2HG      PRO  89   9.203  -0.318  -3.617
  596    HG3  PRO  89           1HG      PRO  89   9.417  -0.164  -5.371
  597    HD2  PRO  89           2HD      PRO  89   9.844   1.873  -3.220
  598    HD3  PRO  89           1HD      PRO  89  10.799   1.563  -4.685
  599    H    VAL  90           H        VAL  90   5.332   3.066  -5.721
  600    HA   VAL  90           HA       VAL  90   5.025   4.564  -3.211
  601    HB   VAL  90           HB       VAL  90   3.967   6.281  -5.058
  602   HG11  VAL  90          1HG1      VAL  90   6.538   7.208  -4.784
  603   HG12  VAL  90          2HG1      VAL  90   5.228   7.463  -3.632
  604   HG13  VAL  90          3HG1      VAL  90   6.360   6.131  -3.399
  605   HG21  VAL  90          3HG2      VAL  90   6.021   6.499  -6.669
  606   HG22  VAL  90          1HG2      VAL  90   6.230   4.779  -6.320
  607   HG23  VAL  90          2HG2      VAL  90   4.727   5.359  -7.042
  608    H    CYS  91           H        CYS  91   2.697   5.750  -3.434
  609    HA   CYS  91           HA       CYS  91   0.813   3.634  -3.466
  610    HB2  CYS  91           2HB      CYS  91   0.864   6.335  -2.587
  611    HB3  CYS  91           1HB      CYS  91  -0.518   6.161  -3.670
  612    H    LYS  92           H        LYS  92  -0.573   2.957  -4.998
  613    HA   LYS  92           HA       LYS  92   0.019   3.582  -7.713
  614    HB2  LYS  92           2HB      LYS  92  -1.346   1.546  -6.277
  615    HB3  LYS  92           1HB      LYS  92  -2.470   2.200  -7.457
  616    HG2  LYS  92           2HG      LYS  92   0.192   0.925  -7.945
  617    HG3  LYS  92           1HG      LYS  92  -1.390   0.380  -8.485
  618    HD2  LYS  92           2HD      LYS  92  -0.864   3.046  -9.421
  619    HD3  LYS  92           1HD      LYS  92   0.452   1.962  -9.872
  620    HE2  LYS  92           2HE      LYS  92  -1.951   2.255 -11.205
  621    HE3  LYS  92           1HE      LYS  92  -0.796   0.941 -11.412
  622    HZ1  LYS  92           3HZ      LYS  92  -3.257   0.979  -9.776
  623    HZ2  LYS  92           1HZ      LYS  92  -2.041  -0.164  -9.504
  624    HZ3  LYS  92           2HZ      LYS  92  -2.827  -0.102 -11.005
  625    H    ASN  93           H        ASN  93  -2.688   4.217  -5.552
  626    HA   ASN  93           HA       ASN  93  -3.695   6.277  -7.323
  627    HB2  ASN  93           2HB      ASN  93  -4.920   3.599  -7.030
  628    HB3  ASN  93           1HB      ASN  93  -6.024   4.957  -6.911
  629   HD21  ASN  93          1HD2      ASN  93  -4.295   2.925  -8.963
  630   HD22  ASN  93          2HD2      ASN  93  -4.610   3.736 -10.455
  631    H    ILE  94           H        ILE  94  -5.013   4.262  -4.697
  632    HA   ILE  94           HA       ILE  94  -5.943   6.714  -3.397
  633    HB   ILE  94           HB       ILE  94  -6.719   3.857  -2.808
  634   HG12  ILE  94          2HG1      ILE  94  -8.490   5.798  -4.246
  635   HG13  ILE  94          1HG1      ILE  94  -7.270   4.905  -5.150
  636   HG21  ILE  94          1HG2      ILE  94  -7.486   4.845  -0.948
  637   HG22  ILE  94          2HG2      ILE  94  -7.441   6.457  -1.659
  638   HG23  ILE  94          3HG2      ILE  94  -8.798   5.382  -2.001
  639   HD11  ILE  94          3HD1      ILE  94  -9.457   3.823  -5.219
  640   HD12  ILE  94          1HD1      ILE  94  -8.243   2.810  -4.434
  641   HD13  ILE  94          2HD1      ILE  94  -9.435   3.675  -3.460
  642    H    VAL  95           H        VAL  95  -4.777   7.481  -1.754
  643    HA   VAL  95           HA       VAL  95  -3.173   5.647  -0.146
  644    HB   VAL  95           HB       VAL  95  -2.072   7.720  -0.787
  645   HG11  VAL  95          1HG1      VAL  95  -3.228   9.730   0.732
  646   HG12  VAL  95          2HG1      VAL  95  -3.285   9.563  -1.023
  647   HG13  VAL  95          3HG1      VAL  95  -4.592   8.914  -0.033
  648   HG21  VAL  95          3HG2      VAL  95  -2.664   7.221   2.086
  649   HG22  VAL  95          1HG2      VAL  95  -1.154   7.035   1.193
  650   HG23  VAL  95          2HG2      VAL  95  -1.717   8.645   1.647
  651    H    ALA  96           H        ALA  96  -3.776   4.993   1.857
  652    HA   ALA  96           HA       ALA  96  -6.012   6.314   3.172
  653    HB1  ALA  96           1HB      ALA  96  -6.303   3.382   2.736
  654    HB2  ALA  96           2HB      ALA  96  -7.536   4.607   3.033
  655    HB3  ALA  96           3HB      ALA  96  -6.768   4.495   1.450
  656    H    CYS  97           H        CYS  97  -6.544   5.217   5.259
  657    HA   CYS  97           HA       CYS  97  -4.101   4.154   6.479
  658    HB2  CYS  97           2HB      CYS  97  -6.220   4.836   8.343
  659    HB3  CYS  97           1HB      CYS  97  -4.550   5.389   8.296
  660    H    CYS  98           H        CYS  98  -4.038   2.065   6.815
  661    HA   CYS  98           HA       CYS  98  -6.537   0.589   7.218
  662    HB2  CYS  98           2HB      CYS  98  -5.918   0.541   4.798
  663    HB3  CYS  98           1HB      CYS  98  -4.395  -0.222   5.244
  664    HA   PRO  99           HA       PRO  99  -3.985  -1.221  10.399
  665    HB2  PRO  99           2HB      PRO  99  -5.798  -3.115  11.149
  666    HB3  PRO  99           1HB      PRO  99  -5.929  -1.420  11.626
  667    HG2  PRO  99           2HG      PRO  99  -7.326  -2.867   9.415
  668    HG3  PRO  99           1HG      PRO  99  -7.987  -1.715  10.589
  669    HD2  PRO  99           2HD      PRO  99  -7.362  -0.983   8.076
  670    HD3  PRO  99           1HD      PRO  99  -7.155   0.118   9.455
  671    H    GLU 100           H        GLU 100  -2.443  -2.778  10.205
  672    HA   GLU 100           HA       GLU 100  -2.430  -4.582   8.026
  673    HB2  GLU 100           2HB      GLU 100  -0.430  -3.659   9.389
  674    HB3  GLU 100           1HB      GLU 100  -0.774  -4.975  10.503
  675    HG2  GLU 100           2HG      GLU 100  -0.742  -6.225   8.048
  676    HG3  GLU 100           1HG      GLU 100   0.541  -5.021   7.915
  677    H    GLY 101           H        GLY 101  -3.545  -6.369   7.820
  678    HA2  GLY 101           1HA      GLY 101  -4.050  -8.586   8.674
  679    HA3  GLY 101           2HA      GLY 101  -4.351  -7.829  10.236
  680    H    THR 102           H        THR 102  -6.368  -7.393  10.720
  681    HA   THR 102           HA       THR 102  -8.382  -7.838   8.637
  682    HB   THR 102           HB       THR 102  -9.919  -8.252  10.520
  683    HG1  THR 102           1HG      THR 102  -8.638  -8.524  12.623
  684   HG21  THR 102          3HG2      THR 102  -7.487  -9.810  10.016
  685   HG22  THR 102          1HG2      THR 102  -9.174 -10.326  10.070
  686   HG23  THR 102          2HG2      THR 102  -8.257 -10.153  11.565
  687    H    THR 103           H        THR 103 -10.555  -6.680   9.507
  688    HA   THR 103           HA       THR 103 -11.744  -4.799   9.863
  689    HB   THR 103           HB       THR 103  -9.340  -3.220  10.707
  690    HG1  THR 103           1HG      THR 103  -9.068  -5.133  11.839
  691   HG21  THR 103          3HG2      THR 103 -11.105  -1.832  11.030
  692   HG22  THR 103          1HG2      THR 103 -11.311  -2.761  12.516
  693   HG23  THR 103          2HG2      THR 103 -12.269  -3.155  11.086
  694    H    ASN 104           H        ASN 104 -12.238  -2.820   8.917
  695    HA   ASN 104           HA       ASN 104 -11.330  -2.714   6.207
  696    HB2  ASN 104           2HB      ASN 104 -12.995  -0.693   6.223
  697    HB3  ASN 104           1HB      ASN 104 -13.614  -2.337   6.349
  698   HD21  ASN 104          1HD2      ASN 104 -13.272   0.705   7.889
  699   HD22  ASN 104          2HD2      ASN 104 -14.137   0.323   9.339
  700    H    CYS 105           H        CYS 105 -10.690  -0.733   5.146
  701    HA   CYS 105           HA       CYS 105  -8.977   0.935   6.881
  702    HB2  CYS 105           2HB      CYS 105  -8.509   0.897   3.956
  703    HB3  CYS 105           1HB      CYS 105  -7.355   0.835   5.284
  704    H    VAL 106           H        VAL 106  -9.106   3.159   6.677
  705    HA   VAL 106           HA       VAL 106 -11.430   4.127   5.204
  706    HB   VAL 106           HB       VAL 106 -11.624   5.898   6.707
  707   HG11  VAL 106          1HG1      VAL 106 -10.376   3.836   8.500
  708   HG12  VAL 106          2HG1      VAL 106 -11.704   4.940   8.857
  709   HG13  VAL 106          3HG1      VAL 106 -11.948   3.605   7.731
  710   HG21  VAL 106          3HG2      VAL 106  -8.872   6.082   6.583
  711   HG22  VAL 106          1HG2      VAL 106  -9.944   7.100   7.548
  712   HG23  VAL 106          2HG2      VAL 106  -9.188   5.678   8.272
  713    H    ALA 107           H        ALA 107 -11.319   5.545   3.585
  714    HA   ALA 107           HA       ALA 107  -8.663   6.435   2.721
  715    HB1  ALA 107           1HB      ALA 107 -10.531   7.127   0.761
  716    HB2  ALA 107           2HB      ALA 107  -9.379   5.795   0.718
  717    HB3  ALA 107           3HB      ALA 107 -11.011   5.525   1.324
  718    H    VAL 108           H        VAL 108  -8.106   8.407   3.315
  719    HA   VAL 108           HA       VAL 108 -10.190  10.192   4.305
  720    HB   VAL 108           HB       VAL 108  -8.120  11.492   5.157
  721   HG11  VAL 108          1HG1      VAL 108  -7.960   9.186   6.776
  722   HG12  VAL 108          2HG1      VAL 108  -8.910  10.645   7.053
  723   HG13  VAL 108          3HG1      VAL 108  -9.618   9.285   6.179
  724   HG21  VAL 108          3HG2      VAL 108  -6.847   9.474   3.698
  725   HG22  VAL 108          1HG2      VAL 108  -6.098  10.663   4.763
  726   HG23  VAL 108          2HG2      VAL 108  -6.572   9.085   5.396
  727    H    ASP 109           H        ASP 109  -9.397   9.894   1.373
  728    HA   ASP 109           HA       ASP 109  -8.946  12.771   0.956
  729    HB2  ASP 109           2HB      ASP 109  -7.055  11.621   0.025
  730    HB3  ASP 109           1HB      ASP 109  -8.099  10.488  -0.831
  731    H    ASN 110           H        ASN 110 -10.389  13.864  -0.089
  732    HA   ASN 110           HA       ASN 110 -12.052  12.650  -2.110
  733    HB2  ASN 110           2HB      ASN 110 -14.099  13.884  -1.034
  734    HB3  ASN 110           1HB      ASN 110 -13.654  12.287  -0.449
  735   HD21  ASN 110          1HD2      ASN 110 -12.771  12.066   1.610
  736   HD22  ASN 110          2HD2      ASN 110 -12.814  13.354   2.779
  737    H    ALA 111           H        ALA 111  -9.860  14.553  -1.842
  738    HA   ALA 111           HA       ALA 111 -11.153  16.914  -3.024
  739    HB1  ALA 111           1HB      ALA 111 -10.564  17.315  -0.632
  740    HB2  ALA 111           2HB      ALA 111  -8.869  17.093  -1.074
  741    HB3  ALA 111           3HB      ALA 111  -9.798  18.421  -1.776
  742    H    GLY 112           H        GLY 112  -8.269  14.914  -2.695
  743    HA2  GLY 112           1HA      GLY 112  -6.631  14.470  -4.273
  744    HA3  GLY 112           2HA      GLY 112  -7.479  15.517  -5.402
  745    H    ALA 113           H        ALA 113  -5.270  15.475  -2.660
  746    HA   ALA 113           HA       ALA 113  -4.639  18.284  -2.991
  747    HB1  ALA 113           1HB      ALA 113  -2.970  16.721  -1.159
  748    HB2  ALA 113           2HB      ALA 113  -3.856  18.223  -0.888
  749    HB3  ALA 113           3HB      ALA 113  -4.699  16.675  -0.804
  750    H    GLY 114           H        GLY 114  -3.035  15.184  -3.400
  751    HA2  GLY 114           1HA      GLY 114  -1.266  16.243  -5.389
  752    HA3  GLY 114           2HA      GLY 114  -0.443  15.918  -3.867
  753    H    THR 115           H        THR 115   0.725  14.430  -5.448
  754    HA   THR 115           HA       THR 115  -0.783  11.934  -5.827
  755    HB   THR 115           HB       THR 115   1.775  11.938  -7.159
  756    HG1  THR 115           1HG      THR 115   1.413  14.253  -7.159
  757   HG21  THR 115          3HG2      THR 115  -0.813  10.988  -7.553
  758   HG22  THR 115          1HG2      THR 115   0.560  10.796  -8.643
  759   HG23  THR 115          2HG2      THR 115  -0.557  12.142  -8.863
  760    H    LYS 116           H        LYS 116   2.584  12.921  -5.203
  761    HA   LYS 116           HA       LYS 116   2.694  11.296  -2.821
  762    HB2  LYS 116           2HB      LYS 116   5.036  10.429  -3.963
  763    HB3  LYS 116           1HB      LYS 116   3.565   9.477  -3.843
  764    HG2  LYS 116           2HG      LYS 116   3.196   9.530  -6.050
  765    HG3  LYS 116           1HG      LYS 116   3.689  11.219  -6.199
  766    HD2  LYS 116           2HD      LYS 116   6.068  10.052  -5.651
  767    HD3  LYS 116           1HD      LYS 116   5.258   8.741  -6.512
  768    HE2  LYS 116           2HE      LYS 116   5.259  11.534  -7.605
  769    HE3  LYS 116           1HE      LYS 116   6.628  10.459  -7.871
  770    HZ1  LYS 116           3HZ      LYS 116   5.362   9.014  -9.135
  771    HZ2  LYS 116           1HZ      LYS 116   4.762  10.532  -9.610
  772    HZ3  LYS 116           2HZ      LYS 116   3.886   9.579  -8.518
  773    H    ALA 117           H        ALA 117   5.334  12.326  -4.930
  774    HA   ALA 117           HA       ALA 117   6.098  14.332  -2.944
  775    HB1  ALA 117           1HB      ALA 117   8.211  13.987  -3.598
  776    HB2  ALA 117           2HB      ALA 117   7.609  12.621  -4.541
  777    HB3  ALA 117           3HB      ALA 117   7.789  14.205  -5.295
  778    H    GLU 118           H        GLU 118   4.242  15.607  -3.408
  779    HA   GLU 118           HA       GLU 118   3.020  17.227  -4.404
  780    HB2  GLU 118           2HB      GLU 118   5.607  17.660  -5.911
  781    HB3  GLU 118           1HB      GLU 118   4.208  18.715  -6.064
  782    HG2  GLU 118           2HG      GLU 118   4.571  19.702  -4.073
  783    HG3  GLU 118           1HG      GLU 118   5.122  18.212  -3.311