*HEADER    ELECTRON TRANSPORT                      08-JAN-04   1S24              
*TITLE     RUBREDOXIN DOMAIN II FROM PSEUDOMONAS OLEOVORANS                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RUBREDOXIN 2;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RUBREDOXIN C-TERMINAL DOMAIN;                              
*COMPND   5 SYNONYM: TWO-IRON RUBREDOXIN;                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS OLEOVORANS;                         
*SOURCE   3 GENE: ALKG;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    RUBREDOXIN                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.PERRY, W.TAMBYRAJAH, J.G.GROSSMANN, L.Y.LIAN, N.S.SCRUTTON          
*REVDAT   1   04-MAY-04 1S24    0                                                
 ASSI {   22}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 51   and name HG1%)
      2.700     0.900     0.900 peak    22 weight  0.10000E+01 volume  0.11300E+06 ppm1      8.285 ppm2      0.982
 OR {   22}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG  ))
 ASSI {  124}
   (( segid " 1SG" and resid 13   and name HN  ))
   (  segid " 1SG" and resid 13   and name HD1%)
      4.000     2.000     1.500 peak   124 weight  0.10000E+01 volume  0.11700E+05 ppm1      7.729 ppm2      0.423
 OR {  124}
   (( segid " 1SG" and resid 13   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
 ASSI {  157}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      4.300     2.300     1.200 peak   157 weight  0.10000E+01 volume  0.76700E+04 ppm1      8.287 ppm2     10.138
 OR {  157}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
 ASSI {  233}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.100     0.600     0.600 peak   233 weight  0.10000E+01 volume  0.48100E+06 ppm1      8.063 ppm2      4.305
 OR {  233}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
 ASSI {  234}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   234 weight  0.10000E+01 volume  0.39300E+05 ppm1      8.063 ppm2      4.035
 OR {  234}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
 ASSI {  266}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   266 weight  0.10000E+01 volume  0.42600E+05 ppm1      7.382 ppm2      9.329
 OR {  266}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
 ASSI {  350}
   (  segid " 1SG" and resid 53   and name HD% )
   (  segid " 1SG" and resid 13   and name HD1%)
      4.000     2.000     1.500 peak   350 weight  0.10000E+01 volume  0.10900E+05 ppm1      6.872 ppm2      0.422
 OR {  350}
   (  segid " 1SG" and resid 53   and name HD% )
   (  segid " 1SG" and resid 6    and name HD1%)
 ASSI {    3}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 38   and name HE1 ))
      3.700     1.700     1.700 peak     3 weight  0.10000E+01 volume  0.12700E+05 ppm1      6.907 ppm2     10.606
 OR {    3}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HE1 ))
 ASSI {   15}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.100     1.200     1.200 peak    15 weight  0.10000E+01 volume  0.32600E+05 ppm1      6.742 ppm2     10.140
 OR {   15}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 6    and name HN  ))
 ASSI {   21}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.300     1.400     1.400 peak    21 weight  0.10000E+01 volume  0.25700E+05 ppm1      2.490 ppm2     10.138
 OR {   21}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HN  ))
 ASSI {   28}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 31   and name HN  ))
      3.400     1.400     1.400 peak    28 weight  0.10000E+01 volume  0.19000E+05 ppm1      7.172 ppm2      9.863
 OR {   28}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 31   and name HN  ))
 ASSI {   40}
   (( segid " 1SG" and resid 16   and name HA  ))
   (( segid " 1SG" and resid 31   and name HN  ))
      5.500     3.800     0.000 peak    40 weight  0.10000E+01 volume  0.36400E+03 ppm1      3.811 ppm2      9.849
 OR {   40}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 31   and name HN  ))
 ASSI {   88}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.700     0.900     0.900 peak    88 weight  0.10000E+01 volume  0.75100E+05 ppm1      1.593 ppm2      9.298
 OR {   88}
   (( segid " 1SG" and resid 8    and name HG11))
   (( segid " 1SG" and resid 9    and name HN  ))
 OR {   88}
   (  segid " 1SG" and resid 22   and name HB% )
   (( segid " 1SG" and resid 21   and name HN  ))
 ASSI {   96}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (( segid " 1SG" and resid 21   and name HN  ))
      3.100     1.200     1.200 peak    96 weight  0.10000E+01 volume  0.33100E+05 ppm1      3.038 ppm2      9.283
 OR {   96}
   (( segid " 1SG" and resid 14   and name HB1 ))
   (( segid " 1SG" and resid 5    and name HN  ))
 ASSI {  105}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.300     1.400     1.400 peak   105 weight  0.10000E+01 volume  0.22700E+05 ppm1      8.287 ppm2      9.184
 OR {  105}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
 ASSI {  109}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HN  ))
      2.800     1.000     1.000 peak   109 weight  0.10000E+01 volume  0.65100E+05 ppm1      2.498 ppm2      9.194
 OR {  109}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 51   and name HN  ))
 ASSI {  131}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   131 weight  0.10000E+01 volume  0.27200E+06 ppm1      2.906 ppm2      9.146
 OR {  131}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HN  ))
 ASSI {  210}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   210 weight  0.10000E+01 volume  0.51700E+05 ppm1      8.680 ppm2      8.502
 OR {  210}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 16   and name HN  ))
 ASSI {  258}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      5.500     3.800     0.000 peak   258 weight  0.10000E+01 volume  0.44900E+03 ppm1      9.192 ppm2      8.292
 OR {  258}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
 OR {  258}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
 ASSI {  262}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 7    and name HN  ))
      2.600     0.800     0.800 peak   262 weight  0.10000E+01 volume  0.10700E+06 ppm1      6.755 ppm2      8.291
 OR {  262}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 52   and name HN  ))
 ASSI {  269}
   (( segid " 1SG" and resid 6    and name HG12))
   (( segid " 1SG" and resid 7    and name HN  ))
      5.200     3.400     0.300 peak   269 weight  0.10000E+01 volume  0.15600E+04 ppm1      0.608 ppm2      8.291
 OR {  269}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 7    and name HN  ))
 ASSI {  309}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 11   and name HN  ))
      3.400     1.400     1.400 peak   309 weight  0.10000E+01 volume  0.20500E+05 ppm1      1.189 ppm2      8.077
 OR {  309}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 49   and name HN  ))
 OR {  309}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 11   and name HN  ))
 ASSI {  327}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      5.500     3.800     0.000 peak   327 weight  0.10000E+01 volume  0.14500E+03 ppm1      8.723 ppm2      7.978
 OR {  327}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 28   and name HN  ))
 ASSI {  345}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   345 weight  0.10000E+01 volume  0.14000E+05 ppm1      6.752 ppm2      7.927
 OR {  345}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 44   and name HN  ))
 OR {  345}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 50   and name HN  ))
 ASSI {  371}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.500     1.500     1.500 peak   371 weight  0.10000E+01 volume  0.15900E+05 ppm1      6.712 ppm2      7.717
 OR {  371}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 38   and name HN  ))
 ASSI {  424}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HD1 ))
      3.500     1.500     1.500 peak   424 weight  0.10000E+01 volume  0.18200E+05 ppm1      6.916 ppm2      7.387
 OR {  424}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 38   and name HD1 ))
 ASSI {  426}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HD1 ))
      5.500     3.800     0.000 peak   426 weight  0.10000E+01 volume  0.15300E+03 ppm1      4.218 ppm2      7.385
 OR {  426}
   (( segid " 1SG" and resid 28   and name HA1 ))
   (( segid " 1SG" and resid 29   and name HN  ))
 OR {  426}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 23   and name HN  ))
 ASSI {  428}
   (( segid " 1SG" and resid 38   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HD1 ))
      2.300     0.700     0.700 peak   428 weight  0.10000E+01 volume  0.20900E+06 ppm1      3.108 ppm2      7.377
 OR {  428}
   (( segid " 1SG" and resid 28   and name HA2 ))
   (( segid " 1SG" and resid 29   and name HN  ))
 ASSI {  430}
   (( segid " 1SG" and resid 23   and name HB1 ))
   (( segid " 1SG" and resid 23   and name HN  ))
      5.500     3.800     0.000 peak   430 weight  0.10000E+01 volume  0.33500E+03 ppm1      1.948 ppm2      7.388
 OR {  430}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HN  ))
 ASSI {  432}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 29   and name HN  ))
      4.600     2.600     0.900 peak   432 weight  0.10000E+01 volume  0.32300E+04 ppm1      0.822 ppm2      7.383
 OR {  432}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 33   and name HN  ))
 ASSI {  435}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.500     1.500     1.500 peak   435 weight  0.10000E+01 volume  0.16000E+05 ppm1      9.177 ppm2      7.345
 OR {  435}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
 ASSI {  460}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 5    and name HH2 ))
      5.500     3.800     0.000 peak   460 weight  0.10000E+01 volume  0.48200E+03 ppm1      0.403 ppm2      7.177
 OR {  460}
   (  segid " 1SG" and resid 52   and name HD1%)
   (  segid " 1SG" and resid 14   and name HD% )
 OR {  460}
   (( segid " 1SG" and resid 34   and name HG11))
   (  segid " 1SG" and resid 14   and name HD% )
 OR {  460}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 14   and name HD% )
 ASSI {  523}
   (( segid " 1SG" and resid 14   and name HH  ))
   (  segid " 1SG" and resid 25   and name HD% )
      5.500     3.800     0.000 peak   523 weight  0.10000E+01 volume  0.15900E+03 ppm1      8.724 ppm2      6.885
 OR {  523}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HD% )
 ASSI {  547}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 50   and name HE% )
      3.800     1.800     1.700 peak   547 weight  0.10000E+01 volume  0.10900E+05 ppm1      7.924 ppm2      6.764
 OR {  547}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 50   and name HE% )
 ASSI {  562}
   (( segid " 1SG" and resid 23   and name HB1 ))
   (  segid " 1SG" and resid 25   and name HE% )
      3.000     1.100     1.100 peak   562 weight  0.10000E+01 volume  0.39800E+05 ppm1      1.928 ppm2      6.707
 OR {  562}
   (( segid " 1SG" and resid 31   and name HB2 ))
   (( segid " 1SG" and resid 34   and name HN  ))
 OR {  562}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 34   and name HN  ))
 ASSI {  597}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 14   and name HE% )
      3.300     1.400     1.400 peak   597 weight  0.10000E+01 volume  0.26500E+05 ppm1      2.883 ppm2      6.524
 OR {  597}
   (( segid " 1SG" and resid 14   and name HB2 ))
   (  segid " 1SG" and resid 14   and name HE% )
 OR {  597}
   (( segid " 1SG" and resid 20   and name HB2 ))
   (  segid " 1SG" and resid 14   and name HE% )
 ASSI {  598}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (  segid " 1SG" and resid 14   and name HE% )
      2.900     1.100     1.100 peak   598 weight  0.10000E+01 volume  0.53200E+05 ppm1      2.472 ppm2      6.521
 OR {  598}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (  segid " 1SG" and resid 14   and name HE% )
 ASSI {  612}
   (  segid " 1SG" and resid 50   and name HD% )
   (  segid " 1SG" and resid 31   and name HE% )
      3.100     1.200     1.200 peak   612 weight  0.10000E+01 volume  0.36000E+05 ppm1      7.137 ppm2      6.392
 OR {  612}
   (  segid " 1SG" and resid 14   and name HD% )
   (  segid " 1SG" and resid 31   and name HE% )
 OR {  612}
   (( segid " 1SG" and resid 38   and name HZ2 ))
   (  segid " 1SG" and resid 31   and name HE% )
 ASSI {  643}
   (( segid " 1SG" and resid 32   and name HA  ))
   (  segid " 1SG" and resid 31   and name HD% )
      5.500     3.800     0.000 peak   643 weight  0.10000E+01 volume  0.12600E+03 ppm1      3.801 ppm2      5.762
 OR {  643}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 31   and name HD% )
 ASSI {  697}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   697 weight  0.10000E+01 volume  0.17300E+06 ppm1      9.177 ppm2      4.227
 OR {  697}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      1.900     0.500     0.500 peak   698 weight  0.10000E+01 volume  0.59300E+06 ppm1      8.159 ppm2      4.232
 OR {  698}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
 ASSI {  718}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HB  ))
      2.600     0.800     0.800 peak   718 weight  0.10000E+01 volume  0.91600E+05 ppm1      7.374 ppm2      4.075
 OR {  718}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
 ASSI {  726}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   726 weight  0.10000E+01 volume  0.11500E+06 ppm1      2.471 ppm2      4.063
 OR {  726}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 30   and name HA  ))
 ASSI {  729}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   729 weight  0.10000E+01 volume  0.36500E+05 ppm1      8.097 ppm2      4.035
 OR {  729}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  748}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA1 ))
      2.600     0.800     0.800 peak   748 weight  0.10000E+01 volume  0.10300E+06 ppm1      7.636 ppm2      3.914
 OR {  748}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
 ASSI {  760}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   760 weight  0.10000E+01 volume  0.19200E+05 ppm1      7.396 ppm2      3.799
 OR {  760}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
 ASSI {  772}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
      3.200     1.300     1.300 peak   772 weight  0.10000E+01 volume  0.27000E+05 ppm1      8.648 ppm2      3.675
 OR {  772}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
 ASSI {  794}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   794 weight  0.10000E+01 volume  0.67700E+05 ppm1      7.375 ppm2      3.565
 OR {  794}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
 ASSI {  799}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      1.900     0.500     0.500 peak   799 weight  0.10000E+01 volume  0.59600E+06 ppm1      9.162 ppm2      3.522
 OR {  799}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
 ASSI {  806}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   806 weight  0.10000E+01 volume  0.27300E+05 ppm1      8.086 ppm2      3.505
 OR {  806}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
 ASSI {  856}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 40   and name HB1 ))
      2.200     0.600     0.600 peak   856 weight  0.10000E+01 volume  0.25800E+06 ppm1      6.791 ppm2      3.123
 OR {  856}
   (  segid " 1SG" and resid 2    and name HE% )
   (( segid " 1SG" and resid 28   and name HA2 ))
 ASSI {  860}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      3.500     1.500     1.500 peak   860 weight  0.10000E+01 volume  0.15900E+05 ppm1      6.432 ppm2      3.115
 OR {  860}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 28   and name HA2 ))
 ASSI {  864}
   (( segid " 1SG" and resid 44   and name HA2 ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      3.200     1.300     1.300 peak   864 weight  0.10000E+01 volume  0.28400E+05 ppm1      3.559 ppm2      3.118
 OR {  864}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 28   and name HA2 ))
 ASSI {  865}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      1.600     0.300     0.600 peak   865 weight  0.10000E+01 volume  0.21800E+07 ppm1      2.906 ppm2      3.111
 OR {  865}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HB1 ))
 OR {  865}
   (( segid " 1SG" and resid 38   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HB1 ))
 ASSI {  900}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 25   and name HB2 ))
      2.900     1.100     1.100 peak   900 weight  0.10000E+01 volume  0.48000E+05 ppm1      6.523 ppm2      2.882
 OR {  900}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 20   and name HB2 ))
 ASSI {  914}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak   914 weight  0.10000E+01 volume  0.24400E+06 ppm1      7.136 ppm2      2.796
 OR {  914}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 5    and name HB2 ))
 ASSI {  953}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB2 ))
      3.600     1.600     1.600 peak   953 weight  0.10000E+01 volume  0.14500E+05 ppm1      0.609 ppm2      2.474
 OR {  953}
   (( segid " 1SG" and resid 6    and name HG12))
   (( segid " 1SG" and resid 53   and name HB2 ))
 ASSI {  988}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 39   and name HB2 ))
      5.500     3.800     0.000 peak   988 weight  0.10000E+01 volume  0.26000E+03 ppm1      4.215 ppm2      2.208
 OR {  988}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB2 ))
 OR {  988}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB2 ))
 ASSI {  991}
   (( segid " 1SG" and resid 44   and name HA2 ))
   (( segid " 1SG" and resid 39   and name HB2 ))
      4.100     2.100     1.400 peak   991 weight  0.10000E+01 volume  0.62400E+04 ppm1      3.547 ppm2      2.205
 OR {  991}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB2 ))
 ASSI { 1022}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 31   and name HB2 ))
      4.300     2.300     1.200 peak  1022 weight  0.10000E+01 volume  0.47000E+04 ppm1      9.712 ppm2      1.961
 OR { 1022}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 16   and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 16   and name HB2 ))
      5.500     3.800     0.000 peak  1028 weight  0.10000E+01 volume  0.98600E+03 ppm1      6.961 ppm2      1.961
 OR { 1028}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (( segid " 1SG" and resid 31   and name HB2 ))
 OR { 1028}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 31   and name HB2 ))
 ASSI { 1031}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 16   and name HB2 ))
      1.700     0.400     0.500 peak  1031 weight  0.10000E+01 volume  0.11000E+07 ppm1      2.470 ppm2      1.964
 OR { 1031}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 31   and name HB2 ))
 ASSI { 1036}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 16   and name HB2 ))
      5.500     3.800     0.000 peak  1036 weight  0.10000E+01 volume  0.63400E+03 ppm1      2.876 ppm2      1.951
 OR { 1036}
   (( segid " 1SG" and resid 20   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB1 ))
 ASSI { 1091}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 4    and name HB2 ))
      2.100     0.600     0.600 peak  1091 weight  0.10000E+01 volume  0.34800E+06 ppm1      0.640 ppm2      1.601
 OR { 1091}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 13   and name HG11))
 ASSI { 1148}
   (( segid " 1SG" and resid 3    and name HG  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      1.900     0.500     0.500 peak  1148 weight  0.10000E+01 volume  0.67800E+06 ppm1      0.766 ppm2      1.203
 OR { 1148}
   (( segid " 1SG" and resid 6    and name HG11))
   (( segid " 1SG" and resid 6    and name HB  ))
 ASSI { 1194}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 6    and name HG2%)
      2.200     0.600     0.600 peak  1194 weight  0.10000E+01 volume  0.30400E+06 ppm1      9.196 ppm2      0.852
 OR { 1194}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 51   and name HG2%)
 OR { 1194}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 6    and name HG2%)
 ASSI { 1201}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HG2%)
      4.500     2.500     1.000 peak  1201 weight  0.10000E+01 volume  0.37800E+04 ppm1      2.490 ppm2      0.839
 OR { 1201}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (  segid " 1SG" and resid 29   and name HG2%)
 ASSI { 1206}
   (( segid " 1SG" and resid 25   and name HB1 ))
   (  segid " 1SG" and resid 29   and name HG2%)
      5.500     3.800     0.000 peak  1206 weight  0.10000E+01 volume  0.83000E+03 ppm1      3.126 ppm2      0.817
 OR { 1206}
   (( segid " 1SG" and resid 28   and name HA2 ))
   (  segid " 1SG" and resid 29   and name HG2%)
 ASSI { 1251}
   (( segid " 1SG" and resid 6    and name HG12))
   (  segid " 1SG" and resid 6    and name HD1%)
      1.900     0.500     0.500 peak  1251 weight  0.10000E+01 volume  0.63400E+06 ppm1      0.638 ppm2      0.421
 OR { 1251}
   (  segid " 1SG" and resid 13   and name HG2%)
   (  segid " 1SG" and resid 13   and name HD1%)
 ASSI { 1260}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (  segid " 1SG" and resid 52   and name HD1%)
      5.500     3.800     0.000 peak  1260 weight  0.10000E+01 volume  0.61700E+03 ppm1      7.174 ppm2      0.397
 OR { 1260}
   (  segid " 1SG" and resid 14   and name HD% )
   (  segid " 1SG" and resid 52   and name HD1%)
 ASSI { 1281}
   (  segid " 1SG" and resid 25   and name HD% )
   (  segid " 1SG" and resid 34   and name HG2%)
      3.900     1.900     1.600 peak  1281 weight  0.10000E+01 volume  0.90700E+04 ppm1      6.904 ppm2     -0.196
 OR { 1281}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 34   and name HG2%)
 ASSI { 1282}
   (  segid " 1SG" and resid 25   and name HE% )
   (  segid " 1SG" and resid 34   and name HG2%)
      2.200     0.600     0.600 peak  1282 weight  0.10000E+01 volume  0.24800E+06 ppm1      6.710 ppm2     -0.193
 OR { 1282}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (  segid " 1SG" and resid 34   and name HG2%)
 ASSI { 1311}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      4.600     2.600     0.900 peak  1311 weight  0.10000E+01 volume  0.32100E+04 ppm1      7.395 ppm2     -1.231
 OR { 1311}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI { 1328}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 5    and name HA  ))
      4.400     2.400     1.100 peak  1328 weight  0.10000E+01 volume  0.42600E+04 ppm1      9.759 ppm2      5.047
 OR { 1328}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 5    and name HA  ))
 ASSI { 1331}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (  segid " 1SG" and resid 14   and name HD% )
      3.400     1.400     1.400 peak  1331 weight  0.10000E+01 volume  0.21900E+05 ppm1      9.757 ppm2      7.162
 OR { 1331}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 14   and name HD% )
 ASSI { 1340}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 38   and name HB1 ))
      5.400     3.600     0.100 peak  1340 weight  0.10000E+01 volume  0.12200E+04 ppm1     -1.230 ppm2      3.100
 OR { 1340}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 25   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.000     2.000     1.500 peak  1366 weight  0.10000E+01 volume  0.78400E+04 ppm1      8.499 ppm2      2.852
 OR { 1366}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
 ASSI { 1399}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.400     1.400     1.400 peak  1399 weight  0.10000E+01 volume  0.20000E+05 ppm1      8.220 ppm2      2.854
 OR { 1399}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
 ASSI { 1401}
   (( segid " 1SG" and resid 37   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB1 ))
      2.500     0.800     0.800 peak  1401 weight  0.10000E+01 volume  0.12600E+06 ppm1      8.184 ppm2      2.882
 OR { 1401}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1407}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.200     1.300     1.300 peak  1407 weight  0.10000E+01 volume  0.28100E+05 ppm1      8.684 ppm2      3.925
 OR { 1407}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
 ASSI { 1409}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      2.100     0.600     0.600 peak  1409 weight  0.10000E+01 volume  0.32600E+06 ppm1      9.143 ppm2      2.909
 OR { 1409}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
 OR { 1409}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
 ASSI { 1410}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      2.100     0.600     0.600 peak  1410 weight  0.10000E+01 volume  0.35400E+06 ppm1      9.143 ppm2      3.103
 OR { 1410}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
 OR { 1410}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
 ASSI { 1411}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak  1411 weight  0.10000E+01 volume  0.48700E+05 ppm1      9.177 ppm2      2.913
 OR { 1411}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
 ASSI { 1412}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak  1412 weight  0.10000E+01 volume  0.17800E+06 ppm1      9.177 ppm2      3.109
 OR { 1412}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
 ASSI { 1444}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 51   and name HG1%)
      2.600     0.800     0.800 peak  1444 weight  0.10000E+01 volume  0.96700E+05 ppm1      9.196 ppm2      1.009
 OR { 1444}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 51   and name HG1%)
 ASSI { 1485}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 5    and name HA  ))
      3.500     1.500     1.500 peak  1485 weight  0.10000E+01 volume  0.17400E+05 ppm1      7.135 ppm2      5.059
 OR { 1485}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 5    and name HA  ))
 ASSI { 1495}
   (( segid " 1SG" and resid 6    and name HG12))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak  1495 weight  0.10000E+01 volume  0.46300E+05 ppm1      0.610 ppm2      5.391
 OR { 1495}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 6    and name HA  ))
 ASSI { 1511}
   (  segid " 1SG" and resid 53   and name HE% )
   (  segid " 1SG" and resid 13   and name HD1%)
      2.600     0.800     0.800 peak  1511 weight  0.10000E+01 volume  0.10000E+06 ppm1      6.725 ppm2      0.422
 OR { 1511}
   (  segid " 1SG" and resid 53   and name HE% )
   (  segid " 1SG" and resid 6    and name HD1%)
 ASSI { 1514}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 52   and name HB1 ))
      2.300     0.700     0.700 peak  1514 weight  0.10000E+01 volume  0.23900E+06 ppm1      0.409 ppm2      1.211
 OR { 1514}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HB  ))
 ASSI { 1562}
   (( segid " 1SG" and resid 20   and name HB2 ))
   (( segid " 1SG" and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1562 weight  0.10000E+01 volume  0.16300E+06 ppm1      2.878 ppm2      4.778
 OR { 1562}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HA  ))
 ASSI { 1580}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 49   and name HA  ))
      2.400     2.400     2.100 peak  1580 weight  0.10000E+01 volume  0.16300E+06 ppm1      1.171 ppm2      4.790
 OR { 1580}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI { 1588}
   (  segid " 1SG" and resid 8    and name HD1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.700     0.900     0.900 peak  1588 weight  0.10000E+01 volume  0.76500E+05 ppm1      0.870 ppm2      4.035
 OR { 1588}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI { 1614}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.200     0.600     0.600 peak  1614 weight  0.10000E+01 volume  0.25600E+06 ppm1      2.487 ppm2      4.478
 OR { 1614}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI { 1625}
   (( segid " 1SG" and resid 8    and name HG12))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.400     2.400     2.100 peak  1625 weight  0.10000E+01 volume  0.16300E+06 ppm1      1.444 ppm2      4.145
 OR { 1625}
   (( segid " 1SG" and resid 13   and name HB  ))
   (( segid " 1SG" and resid 12   and name HA  ))
 ASSI { 1627}
   (( segid " 1SG" and resid 13   and name HG11))
   (( segid " 1SG" and resid 12   and name HA  ))
      1.900     1.900     2.600 peak  1627 weight  0.10000E+01 volume  0.63900E+06 ppm1      1.591 ppm2      4.159
 OR { 1627}
   (( segid " 1SG" and resid 8    and name HG11))
   (( segid " 1SG" and resid 9    and name HA  ))
 ASSI {   31}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.900     1.100     1.100 peak    31 weight  0.10000E+01 volume  0.23400E+05 ppm1      7.276 ppm2      9.834
 OR {   31}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 14   and name HN  ))
 OR {   31}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 14   and name HN  ))
 ASSI {   56}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    56 weight  0.10000E+01 volume  0.33000E+05 ppm1      1.693 ppm2      9.387
 OR {   56}
   (( segid " 1SG" and resid 8    and name HG11))
   (( segid " 1SG" and resid 9    and name HN  ))
 ASSI {   85}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 51   and name HN  ))
      2.200     0.600     0.600 peak    85 weight  0.10000E+01 volume  0.12800E+06 ppm1      0.965 ppm2      9.296
 OR {   85}
   (  segid " 1SG" and resid 51   and name HG2%)
   (( segid " 1SG" and resid 51   and name HN  ))
 ASSI {  256}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.600     1.600     1.600 peak   256 weight  0.10000E+01 volume  0.68300E+04 ppm1      1.694 ppm2      8.036
 OR {  256}
   (  segid " 1SG" and resid 45   and name HB% )
   (( segid " 1SG" and resid 44   and name HN  ))
 ASSI {  300}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 33   and name HN  ))
      5.500     3.800     0.000 peak   300 weight  0.10000E+01 volume  0.42000E+03 ppm1      9.360 ppm2      7.496
 OR {  300}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
 OR {  300}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
 ASSI {  337}
   (  segid " 1SG" and resid 31   and name HE% )
   (  segid " 1SG" and resid 50   and name HD% )
      4.600     2.600     0.900 peak   337 weight  0.10000E+01 volume  0.16100E+04 ppm1      6.496 ppm2      7.262
 OR {  337}
   (  segid " 1SG" and resid 31   and name HE% )
   (  segid " 1SG" and resid 14   and name HD% )
 ASSI {  392}
   (  segid " 1SG" and resid 17   and name HB% )
   (  segid " 1SG" and resid 2    and name HE% )
      2.700     0.900     0.900 peak   392 weight  0.10000E+01 volume  0.41900E+05 ppm1      1.354 ppm2      6.934
 OR {  392}
   (  segid " 1SG" and resid 17   and name HB% )
   (( segid " 1SG" and resid 18   and name HN  ))
 ASSI {  415}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.000     0.500     0.500 peak   415 weight  0.10000E+01 volume  0.22300E+06 ppm1      7.479 ppm2      6.807
 OR {  415}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (  segid " 1SG" and resid 25   and name HE% )
 ASSI {  470}
   (  segid " 1SG" and resid 14   and name HD% )
   (  segid " 1SG" and resid 31   and name HD% )
      2.400     0.700     0.700 peak   470 weight  0.10000E+01 volume  0.75600E+05 ppm1      7.280 ppm2      5.868
 OR {  470}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (  segid " 1SG" and resid 31   and name HD% )
 ASSI {  530}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.900     0.500     0.500 peak   530 weight  0.10000E+01 volume  0.36600E+06 ppm1      6.930 ppm2      4.351
 OR {  530}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
 ASSI {  531}
   (( segid " 1SG" and resid 38   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   531 weight  0.10000E+01 volume  0.20300E+05 ppm1      3.016 ppm2      4.342
 OR {  531}
   (( segid " 1SG" and resid 37   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  547}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HB  ))
      1.900     0.500     0.500 peak   547 weight  0.10000E+01 volume  0.32900E+06 ppm1      7.497 ppm2      4.203
 OR {  547}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
 OR {  547}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI {  602}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      1.900     0.500     0.500 peak   602 weight  0.10000E+01 volume  0.33300E+06 ppm1      8.079 ppm2      3.686
 OR {  602}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
 ASSI {  610}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   610 weight  0.10000E+01 volume  0.30100E+05 ppm1      7.241 ppm2      3.627
 OR {  610}
   (( segid " 1SG" and resid 38   and name HZ2 ))
   (( segid " 1SG" and resid 40   and name HA  ))
 ASSI {  654}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak   654 weight  0.10000E+01 volume  0.93700E+04 ppm1      8.362 ppm2      3.244
 OR {  654}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA2 ))
 ASSI {  665}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 20   and name HB1 ))
      2.200     2.200     2.300 peak   665 weight  0.10000E+01 volume  0.14200E+06 ppm1      7.017 ppm2      3.157
 OR {  665}
   (( segid " 1SG" and resid 38   and name HH2 ))
   (( segid " 1SG" and resid 14   and name HB1 ))
 ASSI {  683}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 40   and name HB2 ))
      5.400     3.600     0.100 peak   683 weight  0.10000E+01 volume  0.58800E+03 ppm1      1.269 ppm2      3.046
 OR {  683}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HB1 ))
 ASSI {  684}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak   684 weight  0.10000E+01 volume  0.15300E+06 ppm1      9.221 ppm2      3.030
 OR {  684}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HB2 ))
 ASSI {  693}
   (  segid " 1SG" and resid 45   and name HB% )
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.200     2.200     2.300 peak   693 weight  0.10000E+01 volume  0.13500E+06 ppm1      1.725 ppm2      3.025
 OR {  693}
   (  segid " 1SG" and resid 22   and name HB% )
   (( segid " 1SG" and resid 20   and name HB2 ))
 ASSI {  700}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 2    and name HB2 ))
      1.800     0.400     0.400 peak   700 weight  0.10000E+01 volume  0.43800E+06 ppm1      7.297 ppm2      2.980
 OR {  700}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 14   and name HB2 ))
 ASSI {  707}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 14   and name HB2 ))
      3.700     1.700     1.700 peak   707 weight  0.10000E+01 volume  0.62600E+04 ppm1      0.764 ppm2      2.972
 OR {  707}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  731}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak   731 weight  0.10000E+01 volume  0.13300E+05 ppm1      4.327 ppm2      2.675
 OR {  731}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  739}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   739 weight  0.10000E+01 volume  0.56900E+05 ppm1      6.860 ppm2      2.617
 OR {  739}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 50   and name HB2 ))
 ASSI {  816}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   816 weight  0.10000E+01 volume  0.41000E+05 ppm1      7.309 ppm2      2.088
 OR {  816}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 31   and name HB2 ))
 ASSI {  827}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 23   and name HB1 ))
      4.400     2.400     1.100 peak   827 weight  0.10000E+01 volume  0.20500E+04 ppm1      6.825 ppm2      2.060
 OR {  827}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 47   and name HB1 ))
 ASSI {  842}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB1 ))
      4.900     3.000     0.600 peak   842 weight  0.10000E+01 volume  0.10700E+04 ppm1      2.594 ppm2      1.962
 OR {  842}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 47   and name HB2 ))
 ASSI {  925}
   (( segid " 1SG" and resid 7    and name HB1 ))
   (  segid " 1SG" and resid 9    and name HG2%)
      3.400     1.400     1.400 peak   925 weight  0.10000E+01 volume  0.10300E+05 ppm1      3.048 ppm2      1.276
 OR {  925}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (  segid " 1SG" and resid 9    and name HG2%)
 ASSI { 1011}
   (( segid " 1SG" and resid 52   and name HB1 ))
   (  segid " 1SG" and resid 52   and name HD2%)
      3.100     1.200     1.200 peak  1011 weight  0.10000E+01 volume  0.16200E+05 ppm1      1.332 ppm2      0.391
 OR { 1011}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (  segid " 1SG" and resid 52   and name HD2%)
 ASSI { 1058}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HB1 ))
      5.500     3.800     0.000 peak  1058 weight  0.10000E+01 volume  0.48300E+03 ppm1      9.385 ppm2      3.051
 OR { 1058}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB1 ))
 ASSI { 1065}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB  ))
      5.500     3.800     0.000 peak  1065 weight  0.10000E+01 volume  0.22300E+03 ppm1      9.241 ppm2      4.491
 OR { 1065}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB  ))
 ASSI { 1073}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      2.200     0.600     0.600 peak  1073 weight  0.10000E+01 volume  0.12300E+06 ppm1      9.221 ppm2      3.226
 OR { 1073}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
 ASSI { 1084}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      5.500     3.800     0.000 peak  1084 weight  0.10000E+01 volume  0.43000E+03 ppm1      8.746 ppm2      3.792
 OR { 1084}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
 ASSI { 1087}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB1 ))
      4.000     2.000     1.500 peak  1087 weight  0.10000E+01 volume  0.39500E+04 ppm1      8.807 ppm2      1.333
 OR { 1087}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 6    and name HB  ))
 ASSI { 1106}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      4.700     2.800     0.800 peak  1106 weight  0.10000E+01 volume  0.14600E+04 ppm1      8.366 ppm2      4.917
 OR { 1106}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
 ASSI { 1110}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
      5.500     3.800     0.000 peak  1110 weight  0.10000E+01 volume  0.32600E+03 ppm1      8.391 ppm2      3.796
 OR { 1110}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
 ASSI { 1119}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA1 ))
      3.600     1.600     1.600 peak  1119 weight  0.10000E+01 volume  0.65200E+04 ppm1      8.339 ppm2      4.029
 OR { 1119}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
 ASSI { 1146}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 47   and name HA  ))
      4.900     3.000     0.600 peak  1146 weight  0.10000E+01 volume  0.11600E+04 ppm1      6.830 ppm2      4.157
 OR { 1146}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 47   and name HA  ))
 ASSI { 1147}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1147 weight  0.10000E+01 volume  0.34400E+05 ppm1      6.636 ppm2      4.182
 OR { 1147}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 29   and name HB  ))
 ASSI { 1149}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 50   and name HB1 ))
      3.100     1.200     1.200 peak  1149 weight  0.10000E+01 volume  0.17200E+05 ppm1      6.866 ppm2      3.786
 OR { 1149}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 50   and name HB1 ))
 OR { 1149}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 50   and name HB1 ))
 ASSI { 1152}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 38   and name HB1 ))
      3.200     1.300     1.300 peak  1152 weight  0.10000E+01 volume  0.13900E+05 ppm1      6.828 ppm2      3.205
 OR { 1152}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 38   and name HB1 ))
 ASSI { 1161}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 4    and name HB1 ))
      5.300     3.500     0.200 peak  1161 weight  0.10000E+01 volume  0.72300E+03 ppm1      7.313 ppm2      1.954
 OR { 1161}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 47   and name HB2 ))
 OR { 1161}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 4    and name HB1 ))
 ASSI { 1165}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA1 ))
      5.500     3.800     0.000 peak  1165 weight  0.10000E+01 volume  0.53700E+03 ppm1      7.501 ppm2      4.028
 OR { 1165}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
 ASSI { 1195}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (( segid " 1SG" and resid 39   and name HN  ))
      3.000     1.100     1.100 peak  1195 weight  0.10000E+01 volume  0.23000E+05 ppm1      7.502 ppm2      6.929
 OR { 1195}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 2    and name HE% )
 ASSI { 1273}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
      4.800     2.900     0.700 peak  1273 weight  0.10000E+01 volume  0.12100E+04 ppm1      1.316 ppm2      3.786
 OR { 1273}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 11   and name HA2 ))
 OR { 1273}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 50   and name HB1 ))
 ASSI { 1291}
   (( segid " 1SG" and resid 23   and name HB1 ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.000     0.500     0.500 peak  1291 weight  0.10000E+01 volume  0.25300E+06 ppm1      2.073 ppm2      4.178
 OR { 1291}
   (( segid " 1SG" and resid 47   and name HB1 ))
   (( segid " 1SG" and resid 47   and name HA  ))
 ASSI { 1330}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.600     0.800     0.800 peak  1330 weight  0.10000E+01 volume  0.49400E+05 ppm1      8.335 ppm2      3.318
 OR { 1330}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB1 ))
REMARKS restraints for the sulphur to cadmium bonds and to beta carbon
REMARKS to enforce proper sp3 hybridation note the different segment specifications
REMARKS distance is restrained to 2.5 +- 0.1 

assign ( resid 7  and name sg )   ( resid 1 and name cd )  2.5 0.05 0.05   
assign ( resid 10 and name sg )   ( resid 1 and name cd )  2.5 0.05 0.05 
assign ( resid 40 and name sg )   ( resid 1 and name cd )  2.5 0.05 0.05 
assign ( resid 43 and name sg )   ( resid 1 and name cd )  2.5 0.05 0.05  
assign ( resid 7  and name cb )   ( resid 1 and name cd )  3.5 0.25 0.25  
assign ( resid 10 and name cb )   ( resid 1 and name cd )  3.5 0.25 0.25 
assign ( resid 40 and name cb )   ( resid 1 and name cd )  3.5 0.25 0.25 
assign ( resid 43 and name cb )   ( resid 1 and name cd )  3.5 0.25 0.25 
REMARKS  known (???) hbonds in the beta sheet 
REMARKS  region of the cterm rubredoxin
REMARKS  note that more hbonds can be added as
REMARKS  structure developes


assign (resid 5  and name hn)  (resid 14 and name o)  1.95 0.25 0.25
assign (resid 5  and name  n)  (resid 14 and name o)  2.95 0.25 0.25
assign (resid 14 and name hn)  (resid 5  and name o)  1.95 0.25 0.25
assign (resid 14 and name  n)  (resid 5  and name o)  2.95 0.25 0.25
assign (resid 6  and name hn)  (resid 51 and name o)  1.95 0.25 0.25
assign (resid 6  and name  n)  (resid 51 and name o)  2.95 0.25 0.25
assign (resid 51 and name hn)  (resid 6  and name o)  1.95 0.25 0.25
assign (resid 51 and name  n)  (resid 6  and name o)  2.95 0.25 0.25
assign (resid 7  and name hn)  (resid 12 and name o)  1.95 0.25 0.25
assign (resid 7  and name  n)  (resid 12 and name o)  2.95 0.25 0.25
assign (resid 8  and name hn)  (resid 49 and name o)  1.95 0.25 0.25
assign (resid 8  and name  n)  (resid 49 and name o)  2.95 0.25 0.25
assign (resid 50 and name hn)  (resid 47 and name o)  1.95 0.25 0.25
assign (resid 50 and name  n)  (resid 47 and name o)  2.95 0.25 0.25

 ASSI {   13}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak    13 weight  0.10000E+01 volume  0.13900E+06 ppm1      6.873 ppm2      2.482
 ASSI {   27}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.600     0.800     0.800 peak    27 weight  0.10000E+01 volume  0.13700E+06 ppm1      9.197 ppm2      4.987
 ASSI {   47}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      2.500     0.800     0.800 peak    47 weight  0.10000E+01 volume  0.17400E+06 ppm1      7.635 ppm2      7.521
 ASSI {   48}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak    48 weight  0.10000E+01 volume  0.22800E+06 ppm1      6.897 ppm2      2.899
 ASSI {   54}
   (( segid " 1SG" and resid 25   and name HZ  ))
   (  segid " 1SG" and resid 25   and name HE% )
      2.000     0.500     0.500 peak    54 weight  0.10000E+01 volume  0.81600E+06 ppm1      6.572 ppm2      6.688
 ASSI {   60}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.600     0.800     0.800 peak    60 weight  0.10000E+01 volume  0.14200E+06 ppm1      7.716 ppm2      4.227
 ASSI {   66}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (( segid " 1SG" and resid 38   and name HB1 ))
      2.300     0.700     0.700 peak    66 weight  0.10000E+01 volume  0.32100E+06 ppm1      7.387 ppm2      3.108
 ASSI {   73}
   (( segid " 1SG" and resid 38   and name HH2 ))
   (( segid " 1SG" and resid 38   and name HZ2 ))
      2.500     0.800     0.800 peak    73 weight  0.10000E+01 volume  0.17500E+06 ppm1      6.872 ppm2      7.109
 ASSI {   76}
   (( segid " 1SG" and resid 37   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.400     0.700     0.700 peak    76 weight  0.10000E+01 volume  0.22600E+06 ppm1      8.186 ppm2      4.574
 ASSI {   78}
   (( segid " 1SG" and resid 37   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak    78 weight  0.10000E+01 volume  0.15600E+06 ppm1      8.186 ppm2      2.560
 ASSI {   79}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      2.200     0.600     0.600 peak    79 weight  0.10000E+01 volume  0.37600E+06 ppm1      8.172 ppm2      6.806
 ASSI {   80}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.400     0.700     0.700 peak    80 weight  0.10000E+01 volume  0.26600E+06 ppm1      8.172 ppm2      3.922
 ASSI {   81}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak    81 weight  0.10000E+01 volume  0.14500E+06 ppm1      8.172 ppm2      3.669
 ASSI {   87}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.800     0.800 peak    87 weight  0.10000E+01 volume  0.14200E+06 ppm1      6.806 ppm2      4.248
 ASSI {  105}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.200     2.200     2.300 peak   105 weight  0.10000E+01 volume  0.47000E+06 ppm1      8.676 ppm2      4.789
 ASSI {  120}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HG11))
      5.500     3.800     0.000 peak   120 weight  0.10000E+01 volume  0.78100E+03 ppm1      7.727 ppm2      1.613
 ASSI {  131}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA1 ))
      2.400     0.700     0.700 peak   131 weight  0.10000E+01 volume  0.27100E+06 ppm1      8.092 ppm2      4.211
 ASSI {  145}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   145 weight  0.10000E+01 volume  0.39100E+06 ppm1      9.285 ppm2      9.161
 ASSI {  181}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 5    and name HZ2 ))
      2.200     0.600     0.600 peak   181 weight  0.10000E+01 volume  0.37000E+06 ppm1      7.171 ppm2      7.524
 ASSI {  183}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      2.000     0.500     0.500 peak   183 weight  0.10000E+01 volume  0.66800E+06 ppm1      7.171 ppm2      6.981
 ASSI {  186}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.000     0.500     0.500 peak   186 weight  0.10000E+01 volume  0.75300E+06 ppm1      7.975 ppm2      4.584
 ASSI {  191}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      1.400     1.400     3.100 peak   191 weight  0.10000E+01 volume  0.72000E+07 ppm1      8.381 ppm2      4.795
 ASSI {  206}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB1 ))
      3.200     1.300     1.300 peak   206 weight  0.10000E+01 volume  0.46100E+05 ppm1      7.346 ppm2      3.293
 ASSI {  213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   213 weight  0.10000E+01 volume  0.13900E+06 ppm1      7.910 ppm2      9.177
 ASSI {  219}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.100     0.600     0.600 peak   219 weight  0.10000E+01 volume  0.58900E+06 ppm1      8.159 ppm2      4.227
 ASSI {  236}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.000     0.500     0.500 peak   236 weight  0.10000E+01 volume  0.76800E+06 ppm1      8.063 ppm2      7.926
 ASSI {  241}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.200     0.600     0.600 peak   241 weight  0.10000E+01 volume  0.41400E+06 ppm1      7.395 ppm2      6.710
 ASSI {  254}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   254 weight  0.10000E+01 volume  0.14000E+06 ppm1      9.136 ppm2      3.799
 ASSI {  268}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HB  ))
      2.200     0.600     0.600 peak   268 weight  0.10000E+01 volume  0.38200E+06 ppm1      7.382 ppm2      4.095
 OR {  268}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI {  277}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA2 ))
      2.200     0.600     0.600 peak   277 weight  0.10000E+01 volume  0.38600E+06 ppm1      7.966 ppm2      3.127
 ASSI {  278}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.200     0.600     0.600 peak   278 weight  0.10000E+01 volume  0.40100E+06 ppm1      7.966 ppm2      3.562
 ASSI {  281}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   281 weight  0.10000E+01 volume  0.39600E+06 ppm1      6.922 ppm2      4.227
 ASSI {  292}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      5.500     3.800     0.000 peak   292 weight  0.10000E+01 volume  0.42000E+03 ppm1      8.500 ppm2      2.143
 ASSI {  298}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA  ))
      2.000     0.500     0.500 peak   298 weight  0.10000E+01 volume  0.69900E+06 ppm1      9.281 ppm2      4.774
 ASSI {  303}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HB% )
      2.200     0.600     0.600 peak   303 weight  0.10000E+01 volume  0.40300E+06 ppm1      8.386 ppm2      1.594
 ASSI {  306}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   306 weight  0.10000E+01 volume  0.18400E+06 ppm1      7.375 ppm2      4.070
 ASSI {  319}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB1 ))
      5.500     3.800     0.000 peak   319 weight  0.10000E+01 volume  0.70700E+03 ppm1      7.818 ppm2      2.595
 ASSI {  320}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB2 ))
      5.500     3.800     0.000 peak   320 weight  0.10000E+01 volume  0.11300E+04 ppm1      7.821 ppm2      2.484
 ASSI {  349}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 6    and name HG12))
      2.600     0.800     0.800 peak   349 weight  0.10000E+01 volume  0.14000E+06 ppm1      6.873 ppm2      0.613
 ASSI {  354}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   354 weight  0.10000E+01 volume  0.63900E+05 ppm1      6.809 ppm2      1.518
 ASSI {  355}
   (  segid " 1SG" and resid 2    and name HD% )
   (  segid " 1SG" and resid 2    and name HE% )
      1.900     0.500     0.500 peak   355 weight  0.10000E+01 volume  0.87000E+06 ppm1      7.201 ppm2      6.800
 ASSI {  357}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB2 ))
      2.600     2.600     1.900 peak   357 weight  0.10000E+01 volume  0.14000E+06 ppm1      7.975 ppm2      1.594
 ASSI {  363}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   363 weight  0.10000E+01 volume  0.13800E+06 ppm1      8.310 ppm2      4.080
 ASSI {  366}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.800     1.800     1.700 peak   366 weight  0.10000E+01 volume  0.14800E+05 ppm1      8.310 ppm2      2.895
 ASSI {  367}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HB  ))
      1.800     0.400     0.400 peak   367 weight  0.10000E+01 volume  0.12600E+07 ppm1      8.310 ppm2      4.241
 ASSI {  369}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 30   and name HB2 ))
      5.500     3.800     0.000 peak   369 weight  0.10000E+01 volume  0.11700E+04 ppm1      9.137 ppm2      1.724
 ASSI {  370}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 30   and name HB2 ))
      5.100     3.300     0.400 peak   370 weight  0.10000E+01 volume  0.25900E+04 ppm1      7.398 ppm2      1.723
 ASSI {  371}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   371 weight  0.10000E+01 volume  0.52400E+05 ppm1      7.395 ppm2      1.915
 ASSI {  380}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HG12))
      3.200     1.300     1.300 peak   380 weight  0.10000E+01 volume  0.43100E+05 ppm1      9.161 ppm2      1.456
 ASSI {    1}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (( segid " 1SG" and resid 38   and name HE1 ))
      2.200     0.600     0.600 peak     1 weight  0.10000E+01 volume  0.31100E+06 ppm1      7.389 ppm2     10.605
 ASSI {    4}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 38   and name HE1 ))
      2.800     1.000     1.000 peak     4 weight  0.10000E+01 volume  0.66200E+05 ppm1      6.692 ppm2     10.606
 ASSI {    5}
   (( segid " 1SG" and resid 25   and name HZ  ))
   (( segid " 1SG" and resid 38   and name HE1 ))
      3.000     1.100     1.100 peak     5 weight  0.10000E+01 volume  0.39700E+05 ppm1      6.571 ppm2     10.602
 ASSI {    6}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 38   and name HE1 ))
      5.500     3.800     0.000 peak     6 weight  0.10000E+01 volume  0.11700E+04 ppm1      3.668 ppm2     10.605
 ASSI {    8}
   (( segid " 1SG" and resid 23   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HE1 ))
      5.500     3.800     0.000 peak     8 weight  0.10000E+01 volume  0.30300E+03 ppm1      1.949 ppm2     10.602
 ASSI {    9}
   (( segid " 1SG" and resid 53   and name HB1 ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.900     1.900     1.600 peak     9 weight  0.10000E+01 volume  0.89900E+04 ppm1      2.597 ppm2     10.145
 ASSI {   10}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.700     1.700     1.700 peak    10 weight  0.10000E+01 volume  0.12300E+05 ppm1      9.758 ppm2     10.137
 ASSI {   11}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.500     1.500     1.500 peak    11 weight  0.10000E+01 volume  0.15900E+05 ppm1      9.296 ppm2     10.141
 ASSI {   12}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      2.400     0.700     0.700 peak    12 weight  0.10000E+01 volume  0.14500E+06 ppm1      9.197 ppm2     10.139
 ASSI {   13}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.000     1.100     1.100 peak    13 weight  0.10000E+01 volume  0.40800E+05 ppm1      8.725 ppm2     10.139
 ASSI {   14}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 6    and name HN  ))
      3.000     1.100     1.100 peak    14 weight  0.10000E+01 volume  0.42200E+05 ppm1      7.136 ppm2     10.139
 ASSI {   20}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.200     1.300     1.300 peak    20 weight  0.10000E+01 volume  0.27800E+05 ppm1      2.790 ppm2     10.140
 ASSI {   22}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      4.900     3.000     0.600 peak    22 weight  0.10000E+01 volume  0.23400E+04 ppm1      1.200 ppm2     10.138
 ASSI {   25}
   (( segid " 1SG" and resid 13   and name HG12))
   (( segid " 1SG" and resid 6    and name HN  ))
      5.300     3.500     0.200 peak    25 weight  0.10000E+01 volume  0.13800E+04 ppm1      0.496 ppm2     10.137
 ASSI {   29}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 31   and name HN  ))
      3.300     1.400     1.400 peak    29 weight  0.10000E+01 volume  0.23700E+05 ppm1      6.960 ppm2      9.863
 ASSI {   30}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 31   and name HN  ))
      3.000     1.100     1.100 peak    30 weight  0.10000E+01 volume  0.44800E+05 ppm1      6.522 ppm2      9.862
 ASSI {   37}
   (( segid " 1SG" and resid 31   and name HB2 ))
   (( segid " 1SG" and resid 31   and name HN  ))
      2.600     0.800     0.800 peak    37 weight  0.10000E+01 volume  0.93200E+05 ppm1      1.964 ppm2      9.862
 ASSI {   38}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 31   and name HN  ))
      4.000     2.000     1.500 peak    38 weight  0.10000E+01 volume  0.74300E+04 ppm1     -1.221 ppm2      9.866
 ASSI {   39}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 31   and name HN  ))
      3.900     1.900     1.600 peak    39 weight  0.10000E+01 volume  0.96000E+04 ppm1      9.327 ppm2      9.860
 ASSI {   43}
   (( segid " 1SG" and resid 30   and name HB2 ))
   (( segid " 1SG" and resid 31   and name HN  ))
      5.500     3.800     0.000 peak    43 weight  0.10000E+01 volume  0.57100E+03 ppm1      1.715 ppm2      9.860
 ASSI {   49}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      2.600     0.800     0.800 peak    49 weight  0.10000E+01 volume  0.98300E+05 ppm1      9.300 ppm2      9.758
 ASSI {   55}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.400     0.700     0.700 peak    55 weight  0.10000E+01 volume  0.16200E+06 ppm1      9.860 ppm2      9.719
 ASSI {   58}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.400     0.700     0.700 peak    58 weight  0.10000E+01 volume  0.15000E+06 ppm1      7.522 ppm2      9.714
 ASSI {   59}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.200     0.600     0.600 peak    59 weight  0.10000E+01 volume  0.25300E+06 ppm1      6.960 ppm2      9.715
 ASSI {   60}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 5    and name HE1 ))
      3.600     1.600     1.600 peak    60 weight  0.10000E+01 volume  0.14800E+05 ppm1      6.525 ppm2      9.717
 ASSI {   62}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      4.800     2.900     0.700 peak    62 weight  0.10000E+01 volume  0.24500E+04 ppm1      3.362 ppm2      9.713
 ASSI {   64}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.700     0.900     0.900 peak    64 weight  0.10000E+01 volume  0.87400E+05 ppm1      2.470 ppm2      9.714
 ASSI {   66}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.600     0.800     0.800 peak    66 weight  0.10000E+01 volume  0.10000E+06 ppm1      1.760 ppm2      9.714
 ASSI {   70}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.800     1.800     1.700 peak    70 weight  0.10000E+01 volume  0.99400E+04 ppm1      6.433 ppm2      9.340
 ASSI {   72}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 30   and name HN  ))
      2.900     1.100     1.100 peak    72 weight  0.10000E+01 volume  0.48000E+05 ppm1      0.824 ppm2      9.331
 ASSI {   76}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak    76 weight  0.10000E+01 volume  0.27800E+05 ppm1      2.500 ppm2      9.323
 ASSI {   83}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      4.100     2.100     1.400 peak    83 weight  0.10000E+01 volume  0.69200E+04 ppm1      7.974 ppm2      9.306
 ASSI {   84}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    84 weight  0.10000E+01 volume  0.16200E+05 ppm1      7.168 ppm2      9.303
 ASSI {   85}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.600     0.800     0.800 peak    85 weight  0.10000E+01 volume  0.10100E+06 ppm1      6.960 ppm2      9.302
 ASSI {   89}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 5    and name HN  ))
      3.000     1.100     1.100 peak    89 weight  0.10000E+01 volume  0.39500E+05 ppm1      0.642 ppm2      9.303
 ASSI {   92}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      2.600     0.800     0.800 peak    92 weight  0.10000E+01 volume  0.10000E+06 ppm1      8.386 ppm2      9.283
 ASSI {   93}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak    93 weight  0.10000E+01 volume  0.19400E+05 ppm1      8.094 ppm2      9.288
 ASSI {   98}
   (( segid " 1SG" and resid 21   and name HB1 ))
   (( segid " 1SG" and resid 21   and name HN  ))
      2.200     0.600     0.600 peak    98 weight  0.10000E+01 volume  0.29400E+06 ppm1      2.095 ppm2      9.287
 ASSI {  106}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 51   and name HN  ))
      2.900     1.100     1.100 peak   106 weight  0.10000E+01 volume  0.48100E+05 ppm1      7.134 ppm2      9.191
 ASSI {  112}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 45   and name HN  ))
      3.200     1.300     1.300 peak   112 weight  0.10000E+01 volume  0.29400E+05 ppm1      7.351 ppm2      9.170
 ASSI {  114}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.100     0.600     0.600 peak   114 weight  0.10000E+01 volume  0.32100E+06 ppm1      3.519 ppm2      9.164
 ASSI {  115}
   (  segid " 1SG" and resid 45   and name HB% )
   (( segid " 1SG" and resid 45   and name HN  ))
      2.100     0.600     0.600 peak   115 weight  0.10000E+01 volume  0.31900E+06 ppm1      1.589 ppm2      9.174
 ASSI {  117}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HN  ))
      2.300     0.700     0.700 peak   117 weight  0.10000E+01 volume  0.21000E+06 ppm1      1.049 ppm2      9.167
 ASSI {  119}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.900     1.900     1.600 peak   119 weight  0.10000E+01 volume  0.82700E+04 ppm1      8.644 ppm2      9.162
 ASSI {  123}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   123 weight  0.10000E+01 volume  0.37500E+05 ppm1      8.166 ppm2      9.146
 ASSI {  125}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   125 weight  0.10000E+01 volume  0.10500E+06 ppm1      7.395 ppm2      9.137
 ASSI {  126}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   126 weight  0.10000E+01 volume  0.15900E+05 ppm1      6.902 ppm2      9.134
 ASSI {  136}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   136 weight  0.10000E+01 volume  0.18000E+05 ppm1      6.521 ppm2      9.129
 ASSI {  139}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   139 weight  0.10000E+01 volume  0.30000E+05 ppm1      8.647 ppm2      9.060
 ASSI {  141}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   141 weight  0.10000E+01 volume  0.10800E+06 ppm1      8.093 ppm2      9.061
 ASSI {  146}
   (( segid " 1SG" and resid 7    and name HB2 ))
   (( segid " 1SG" and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   146 weight  0.10000E+01 volume  0.36700E+05 ppm1      2.355 ppm2      9.061
 ASSI {  147}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 3    and name HN  ))
      3.700     1.700     1.700 peak   147 weight  0.10000E+01 volume  0.12200E+05 ppm1      9.713 ppm2      8.988
 ASSI {  151}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 3    and name HN  ))
      2.700     0.900     0.900 peak   151 weight  0.10000E+01 volume  0.82800E+05 ppm1      7.198 ppm2      8.987
 ASSI {  153}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 3    and name HN  ))
      2.700     0.900     0.900 peak   153 weight  0.10000E+01 volume  0.76100E+05 ppm1      2.484 ppm2      8.986
 ASSI {  155}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HN  ))
      2.200     0.600     0.600 peak   155 weight  0.10000E+01 volume  0.25000E+06 ppm1      1.763 ppm2      8.987
 ASSI {  158}
   (( segid " 1SG" and resid 3    and name HG  ))
   (( segid " 1SG" and resid 3    and name HN  ))
      5.400     3.600     0.100 peak   158 weight  0.10000E+01 volume  0.13200E+04 ppm1      0.780 ppm2      8.986
 ASSI {  163}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      5.500     3.800     0.000 peak   163 weight  0.10000E+01 volume  0.69900E+03 ppm1      7.971 ppm2      8.723
 ASSI {  164}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.300     1.400     1.400 peak   164 weight  0.10000E+01 volume  0.23400E+05 ppm1      7.819 ppm2      8.729
 ASSI {  165}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.700 peak   165 weight  0.10000E+01 volume  0.96500E+04 ppm1      6.882 ppm2      8.715
 ASSI {  168}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   168 weight  0.10000E+01 volume  0.16800E+06 ppm1      2.482 ppm2      8.723
 ASSI {  170}
   (( segid " 1SG" and resid 52   and name HG  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.700     1.700     1.700 peak   170 weight  0.10000E+01 volume  0.12400E+05 ppm1      0.959 ppm2      8.724
 ASSI {  171}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   171 weight  0.10000E+01 volume  0.60600E+05 ppm1      0.404 ppm2      8.726
 ASSI {  174}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 14   and name HH  ))
      2.200     0.600     0.600 peak   174 weight  0.10000E+01 volume  0.24200E+06 ppm1      6.521 ppm2      8.685
 ASSI {  175}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 14   and name HH  ))
      3.400     1.400     1.400 peak   175 weight  0.10000E+01 volume  0.18900E+05 ppm1      6.433 ppm2      8.686
 ASSI {  178}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 15   and name HN  ))
      4.200     2.200     1.300 peak   178 weight  0.10000E+01 volume  0.53500E+04 ppm1      9.757 ppm2      8.678
 ASSI {  181}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   181 weight  0.10000E+01 volume  0.87700E+05 ppm1      7.171 ppm2      8.679
 ASSI {  186}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   186 weight  0.10000E+01 volume  0.71700E+05 ppm1      2.154 ppm2      8.679
 ASSI {  188}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   188 weight  0.10000E+01 volume  0.21300E+05 ppm1      0.644 ppm2      8.682
 ASSI {  189}
   (( segid " 1SG" and resid 11   and name HA2 ))
   (( segid " 1SG" and resid 10   and name HN  ))
      5.500     3.800     0.000 peak   189 weight  0.10000E+01 volume  0.16300E+03 ppm1      3.680 ppm2      8.655
 ASSI {  193}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 10   and name HN  ))
      2.200     0.600     0.600 peak   193 weight  0.10000E+01 volume  0.28300E+06 ppm1      8.093 ppm2      8.647
 ASSI {  196}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 10   and name HN  ))
      3.900     1.900     1.600 peak   196 weight  0.10000E+01 volume  0.92500E+04 ppm1      3.507 ppm2      8.646
 ASSI {  197}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   197 weight  0.10000E+01 volume  0.32200E+05 ppm1      1.172 ppm2      8.649
 ASSI {  198}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 10   and name HN  ))
      5.500     3.800     0.000 peak   198 weight  0.10000E+01 volume  0.23500E+03 ppm1      8.298 ppm2      8.628
 ASSI {  204}
   (  segid " 1SG" and resid 46   and name HG2%)
   (( segid " 1SG" and resid 47   and name HN  ))
      4.700     2.800     0.800 peak   204 weight  0.10000E+01 volume  0.29500E+04 ppm1      1.329 ppm2      8.597
 ASSI {  207}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 16   and name HN  ))
      5.000     3.100     0.500 peak   207 weight  0.10000E+01 volume  0.20700E+04 ppm1      9.715 ppm2      8.510
 ASSI {  208}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     1.500 peak   208 weight  0.10000E+01 volume  0.80600E+04 ppm1      9.303 ppm2      8.507
 ASSI {  211}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   211 weight  0.10000E+01 volume  0.10000E+06 ppm1      8.222 ppm2      8.501
 ASSI {  212}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   212 weight  0.10000E+01 volume  0.21000E+05 ppm1      7.193 ppm2      8.498
 ASSI {  214}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   214 weight  0.10000E+01 volume  0.19700E+05 ppm1      6.523 ppm2      8.503
 ASSI {  216}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   216 weight  0.10000E+01 volume  0.10000E+06 ppm1      2.491 ppm2      8.500
 ASSI {  220}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   220 weight  0.10000E+01 volume  0.27600E+05 ppm1      1.960 ppm2      8.498
 ASSI {  235}
   (( segid " 1SG" and resid 21   and name HB1 ))
   (( segid " 1SG" and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   235 weight  0.10000E+01 volume  0.12400E+06 ppm1      2.090 ppm2      8.385
 ASSI {  240}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 2    and name HN  ))
      2.800     1.000     1.000 peak   240 weight  0.10000E+01 volume  0.69100E+05 ppm1      7.199 ppm2      8.382
 ASSI {  249}
   (  segid " 1SG" and resid 26   and name HG2%)
   (( segid " 1SG" and resid 26   and name HN  ))
      2.000     0.500     0.500 peak   249 weight  0.10000E+01 volume  0.45900E+06 ppm1      1.295 ppm2      8.320
 ASSI {  251}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      5.500     3.800     0.000 peak   251 weight  0.10000E+01 volume  0.37700E+03 ppm1      7.637 ppm2      8.316
 ASSI {  257}
   (( segid " 1SG" and resid 25   and name HB1 ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.100     2.100     1.400 peak   257 weight  0.10000E+01 volume  0.62100E+04 ppm1      3.126 ppm2      8.316
 ASSI {  266}
   (( segid " 1SG" and resid 7    and name HB2 ))
   (( segid " 1SG" and resid 7    and name HN  ))
      2.000     0.500     0.500 peak   266 weight  0.10000E+01 volume  0.48000E+06 ppm1      2.333 ppm2      8.289
 ASSI {  268}
   (  segid " 1SG" and resid 51   and name HG2%)
   (( segid " 1SG" and resid 52   and name HN  ))
      4.300     2.300     1.200 peak   268 weight  0.10000E+01 volume  0.50600E+04 ppm1      0.858 ppm2      8.288
 ASSI {  279}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 17   and name HN  ))
      5.500     3.800     0.000 peak   279 weight  0.10000E+01 volume  0.10300E+04 ppm1      7.198 ppm2      8.216
 ASSI {  280}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   280 weight  0.10000E+01 volume  0.74400E+05 ppm1      2.963 ppm2      8.208
 ASSI {  284}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   284 weight  0.10000E+01 volume  0.16900E+06 ppm1      7.716 ppm2      8.189
 ASSI {  294}
   (  segid " 1SG" and resid 45   and name HB% )
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   294 weight  0.10000E+01 volume  0.11200E+06 ppm1      1.589 ppm2      8.155
 ASSI {  295}
   (  segid " 1SG" and resid 46   and name HG2%)
   (( segid " 1SG" and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   295 weight  0.10000E+01 volume  0.17800E+06 ppm1      1.324 ppm2      8.158
 ASSI {  300}
   (( segid " 1SG" and resid 8    and name HA  ))
   (( segid " 1SG" and resid 11   and name HN  ))
      5.500     3.800     0.000 peak   300 weight  0.10000E+01 volume  0.34200E+03 ppm1      4.035 ppm2      8.092
 ASSI {  303}
   (( segid " 1SG" and resid 10   and name HB1 ))
   (( segid " 1SG" and resid 11   and name HN  ))
      5.500     3.800     0.000 peak   303 weight  0.10000E+01 volume  0.56500E+03 ppm1      3.426 ppm2      8.085
 ASSI {  313}
   (( segid " 1SG" and resid 47   and name HB1 ))
   (( segid " 1SG" and resid 48   and name HN  ))
      2.600     0.800     0.800 peak   313 weight  0.10000E+01 volume  0.11000E+06 ppm1      1.991 ppm2      8.054
 ASSI {  328}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   328 weight  0.10000E+01 volume  0.25200E+05 ppm1      8.168 ppm2      7.970
 ASSI {  329}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.000     1.100     1.100 peak   329 weight  0.10000E+01 volume  0.42700E+05 ppm1      2.959 ppm2      7.972
 ASSI {  332}
   (( segid " 1SG" and resid 3    and name HG  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      4.500     2.500     1.000 peak   332 weight  0.10000E+01 volume  0.36500E+04 ppm1      0.774 ppm2      7.981
 ASSI {  333}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 4    and name HN  ))
      5.500     3.800     0.000 peak   333 weight  0.10000E+01 volume  0.75600E+03 ppm1      0.404 ppm2      7.978
 ASSI {  340}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HN  ))
      2.100     0.600     0.600 peak   340 weight  0.10000E+01 volume  0.35200E+06 ppm1      1.734 ppm2      7.956
 ASSI {  341}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   341 weight  0.10000E+01 volume  0.53600E+05 ppm1      4.777 ppm2      7.943
 ASSI {  344}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   344 weight  0.10000E+01 volume  0.12400E+06 ppm1      7.133 ppm2      7.928
 ASSI {  346}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      5.500     3.800     0.000 peak   346 weight  0.10000E+01 volume  0.47700E+03 ppm1      6.641 ppm2      7.924
 ASSI {  349}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 44   and name HN  ))
      2.800     1.000     1.000 peak   349 weight  0.10000E+01 volume  0.65900E+05 ppm1      2.911 ppm2      7.924
 ASSI {  358}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 54   and name HN  ))
      3.500     1.500     1.500 peak   358 weight  0.10000E+01 volume  0.17300E+05 ppm1      6.874 ppm2      7.821
 ASSI {  365}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   365 weight  0.10000E+01 volume  0.18200E+05 ppm1      9.059 ppm2      7.732
 ASSI {  367}
   (( segid " 1SG" and resid 13   and name HB  ))
   (( segid " 1SG" and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   367 weight  0.10000E+01 volume  0.28500E+06 ppm1      1.447 ppm2      7.730
 ASSI {  374}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HN  ))
      5.500     3.800     0.000 peak   374 weight  0.10000E+01 volume  0.35700E+03 ppm1      2.571 ppm2      7.711
 ASSI {  382}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   382 weight  0.10000E+01 volume  0.47400E+05 ppm1      7.378 ppm2      7.643
 ASSI {  388}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (( segid " 1SG" and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   388 weight  0.10000E+01 volume  0.44800E+05 ppm1      3.022 ppm2      7.650
 ASSI {  394}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   394 weight  0.10000E+01 volume  0.16500E+06 ppm1      7.375 ppm2      7.528
 ASSI {  396}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (( segid " 1SG" and resid 5    and name HZ2 ))
      3.100     1.200     1.200 peak   396 weight  0.10000E+01 volume  0.32400E+05 ppm1      6.972 ppm2      7.521
 OR {  396}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 5    and name HZ2 ))
 ASSI {  398}
   (( segid " 1SG" and resid 31   and name HB2 ))
   (( segid " 1SG" and resid 5    and name HZ2 ))
      5.000     3.100     0.500 peak   398 weight  0.10000E+01 volume  0.19200E+04 ppm1      1.956 ppm2      7.523
 ASSI {  405}
   (( segid " 1SG" and resid 34   and name HG11))
   (( segid " 1SG" and resid 33   and name HN  ))
      5.500     3.800     0.000 peak   405 weight  0.10000E+01 volume  0.17400E+03 ppm1      0.368 ppm2      7.409
 ASSI {  410}
   (( segid " 1SG" and resid 25   and name HZ  ))
   (( segid " 1SG" and resid 38   and name HD1 ))
      2.600     0.800     0.800 peak   410 weight  0.10000E+01 volume  0.95300E+05 ppm1      6.572 ppm2      7.391
 ASSI {  414}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   414 weight  0.10000E+01 volume  0.10600E+06 ppm1      2.144 ppm2      7.396
 ASSI {  415}
   (  segid " 1SG" and resid 22   and name HB% )
   (( segid " 1SG" and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   415 weight  0.10000E+01 volume  0.10900E+06 ppm1      1.585 ppm2      7.389
 ASSI {  416}
   (( segid " 1SG" and resid 34   and name HB  ))
   (( segid " 1SG" and resid 33   and name HN  ))
      4.200     2.200     1.300 peak   416 weight  0.10000E+01 volume  0.58500E+04 ppm1      0.570 ppm2      7.401
 ASSI {  419}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   419 weight  0.10000E+01 volume  0.26700E+05 ppm1      8.684 ppm2      7.379
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   431 weight  0.10000E+01 volume  0.17100E+06 ppm1      1.486 ppm2      7.376
 ASSI {  443}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 2    and name HD% )
      5.500     3.800     0.000 peak   443 weight  0.10000E+01 volume  0.11100E+04 ppm1      8.500 ppm2      7.193
 ASSI {  455}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (  segid " 1SG" and resid 14   and name HD% )
      1.900     0.500     0.500 peak   455 weight  0.10000E+01 volume  0.63100E+06 ppm1      6.971 ppm2      7.177
 ASSI {  461}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 5    and name HH2 ))
      5.500     3.800     0.000 peak   461 weight  0.10000E+01 volume  0.56500E+03 ppm1      0.283 ppm2      7.177
 ASSI {  473}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (  segid " 1SG" and resid 50   and name HD% )
      2.800     1.000     1.000 peak   473 weight  0.10000E+01 volume  0.62300E+05 ppm1      6.639 ppm2      7.134
 ASSI {  490}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      3.300     1.400     1.400 peak   490 weight  0.10000E+01 volume  0.22300E+05 ppm1      8.285 ppm2      6.982
 ASSI {  491}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      4.300     2.300     1.200 peak   491 weight  0.10000E+01 volume  0.50500E+04 ppm1      7.532 ppm2      6.982
 ASSI {  494}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      2.200     0.600     0.600 peak   494 weight  0.10000E+01 volume  0.25400E+06 ppm1      6.732 ppm2      6.984
 ASSI {  495}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 5    and name HZ3 ))
      3.300     1.400     1.400 peak   495 weight  0.10000E+01 volume  0.22600E+05 ppm1      6.392 ppm2      6.977
 OR {  495}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 5    and name HD1 ))
 ASSI {  496}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      4.600     2.600     0.900 peak   496 weight  0.10000E+01 volume  0.34800E+04 ppm1      3.431 ppm2      6.984
 ASSI {  497}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 5    and name HZ3 ))
      5.500     3.800     0.000 peak   497 weight  0.10000E+01 volume  0.98000E+03 ppm1      0.288 ppm2      6.985
 ASSI {  507}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
      3.200     1.300     1.300 peak   507 weight  0.10000E+01 volume  0.29700E+05 ppm1      1.086 ppm2      6.964
 ASSI {  512}
   (( segid " 1SG" and resid 38   and name HE1 ))
   (( segid " 1SG" and resid 39   and name HN  ))
      5.500     3.800     0.000 peak   512 weight  0.10000E+01 volume  0.38900E+03 ppm1     10.606 ppm2      6.921
 ASSI {  514}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (( segid " 1SG" and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   514 weight  0.10000E+01 volume  0.72200E+05 ppm1      7.389 ppm2      6.922
 ASSI {  519}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 25   and name HD% )
      3.200     1.300     1.300 peak   519 weight  0.10000E+01 volume  0.30700E+05 ppm1      8.311 ppm2      6.902
 ASSI {  538}
   (( segid " 1SG" and resid 18   and name HB1 ))
   (( segid " 1SG" and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   538 weight  0.10000E+01 volume  0.76800E+05 ppm1      1.699 ppm2      6.809
 ASSI {  543}
   (( segid " 1SG" and resid 40   and name HB1 ))
   (  segid " 1SG" and resid 50   and name HE% )
      2.400     0.700     0.700 peak   543 weight  0.10000E+01 volume  0.16200E+06 ppm1      3.111 ppm2      6.778
 ASSI {  554}
   (( segid " 1SG" and resid 5    and name HB1 ))
   (( segid " 1SG" and resid 5    and name HE3 ))
      2.000     0.500     0.500 peak   554 weight  0.10000E+01 volume  0.50000E+06 ppm1      2.915 ppm2      6.752
 ASSI {  559}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HE3 ))
      4.000     2.000     1.500 peak   559 weight  0.10000E+01 volume  0.79700E+04 ppm1      7.716 ppm2      6.716
 ASSI {  563}
   (( segid " 1SG" and resid 34   and name HB  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.000     0.500     0.500 peak   563 weight  0.10000E+01 volume  0.49600E+06 ppm1      0.583 ppm2      6.715
 ASSI {  570}
   (  segid " 1SG" and resid 34   and name HD1%)
   (  segid " 1SG" and resid 25   and name HE% )
      2.500     0.800     0.800 peak   570 weight  0.10000E+01 volume  0.12700E+06 ppm1     -1.233 ppm2      6.704
 ASSI {  578}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 31   and name HZ  ))
      3.200     1.300     1.300 peak   578 weight  0.10000E+01 volume  0.31200E+05 ppm1      2.513 ppm2      6.638
 ASSI {  582}
   (  segid " 1SG" and resid 34   and name HG2%)
   (( segid " 1SG" and resid 25   and name HZ  ))
      2.600     0.800     0.800 peak   582 weight  0.10000E+01 volume  0.10100E+06 ppm1     -0.192 ppm2      6.571
 ASSI {  584}
   (  segid " 1SG" and resid 25   and name HD% )
   (  segid " 1SG" and resid 14   and name HE% )
      2.400     0.700     0.700 peak   584 weight  0.10000E+01 volume  0.17700E+06 ppm1      6.900 ppm2      6.533
 ASSI {  585}
   (  segid " 1SG" and resid 34   and name HD1%)
   (  segid " 1SG" and resid 14   and name HE% )
      2.700     0.900     0.900 peak   585 weight  0.10000E+01 volume  0.86800E+05 ppm1     -1.232 ppm2      6.530
 ASSI {  591}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 14   and name HE% )
      4.200     2.200     1.300 peak   591 weight  0.10000E+01 volume  0.57500E+04 ppm1      8.172 ppm2      6.522
 ASSI {  593}
   (  segid " 1SG" and resid 14   and name HD% )
   (  segid " 1SG" and resid 14   and name HE% )
      2.000     0.500     0.500 peak   593 weight  0.10000E+01 volume  0.48900E+06 ppm1      7.171 ppm2      6.522
 ASSI {  599}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (  segid " 1SG" and resid 14   and name HE% )
      5.500     3.800     0.000 peak   599 weight  0.10000E+01 volume  0.33500E+03 ppm1      1.954 ppm2      6.521
 ASSI {  606}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HG1 ))
      2.400     0.700     0.700 peak   606 weight  0.10000E+01 volume  0.15900E+06 ppm1      7.379 ppm2      6.432
 ASSI {  611}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 31   and name HE% )
      4.100     2.100     1.400 peak   611 weight  0.10000E+01 volume  0.62400E+04 ppm1      7.925 ppm2      6.401
 ASSI {  618}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (  segid " 1SG" and resid 31   and name HE% )
      3.000     1.100     1.100 peak   618 weight  0.10000E+01 volume  0.46300E+05 ppm1      2.493 ppm2      6.394
 ASSI {  619}
   (  segid " 1SG" and resid 34   and name HG2%)
   (  segid " 1SG" and resid 31   and name HE% )
      4.100     2.100     1.400 peak   619 weight  0.10000E+01 volume  0.67200E+04 ppm1     -0.189 ppm2      6.394
 ASSI {  620}
   (  segid " 1SG" and resid 34   and name HD1%)
   (  segid " 1SG" and resid 31   and name HE% )
      2.900     1.100     1.100 peak   620 weight  0.10000E+01 volume  0.57200E+05 ppm1     -1.230 ppm2      6.394
 ASSI {  625}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 38   and name HZ3 ))
      3.400     1.400     1.400 peak   625 weight  0.10000E+01 volume  0.19900E+05 ppm1      7.122 ppm2      6.086
 ASSI {  628}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 38   and name HZ3 ))
      2.700     0.900     0.900 peak   628 weight  0.10000E+01 volume  0.79000E+05 ppm1      6.391 ppm2      6.085
 ASSI {  630}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 38   and name HZ3 ))
      3.900     1.900     1.600 peak   630 weight  0.10000E+01 volume  0.88100E+04 ppm1      3.493 ppm2      6.089
 ASSI {  631}
   (  segid " 1SG" and resid 34   and name HG2%)
   (( segid " 1SG" and resid 38   and name HZ3 ))
      4.400     2.400     1.100 peak   631 weight  0.10000E+01 volume  0.42700E+04 ppm1     -0.187 ppm2      6.085
 ASSI {  632}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 38   and name HZ3 ))
      4.000     2.000     1.500 peak   632 weight  0.10000E+01 volume  0.73800E+04 ppm1     -1.224 ppm2      6.083
 ASSI {  634}
   (( segid " 1SG" and resid 31   and name HN  ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.000     1.100     1.100 peak   634 weight  0.10000E+01 volume  0.44900E+05 ppm1      9.861 ppm2      5.762
 ASSI {  635}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.400     1.400     1.400 peak   635 weight  0.10000E+01 volume  0.21300E+05 ppm1      9.713 ppm2      5.762
 ASSI {  636}
   (( segid " 1SG" and resid 32   and name HN  ))
   (  segid " 1SG" and resid 31   and name HD% )
      4.200     2.200     1.300 peak   636 weight  0.10000E+01 volume  0.54400E+04 ppm1      9.136 ppm2      5.762
 ASSI {  637}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.700     1.700     1.700 peak   637 weight  0.10000E+01 volume  0.11900E+05 ppm1      7.516 ppm2      5.762
 ASSI {  639}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.400     1.400     1.400 peak   639 weight  0.10000E+01 volume  0.20100E+05 ppm1      6.963 ppm2      5.763
 OR {  639}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (  segid " 1SG" and resid 31   and name HD% )
 ASSI {  640}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.000     1.100     1.100 peak   640 weight  0.10000E+01 volume  0.47300E+05 ppm1      6.648 ppm2      5.763
 ASSI {  641}
   (  segid " 1SG" and resid 14   and name HE% )
   (  segid " 1SG" and resid 31   and name HD% )
      3.100     1.200     1.200 peak   641 weight  0.10000E+01 volume  0.35600E+05 ppm1      6.524 ppm2      5.762
 ASSI {  642}
   (  segid " 1SG" and resid 31   and name HE% )
   (  segid " 1SG" and resid 31   and name HD% )
      1.900     0.500     0.500 peak   642 weight  0.10000E+01 volume  0.57000E+06 ppm1      6.391 ppm2      5.763
 ASSI {  644}
   (( segid " 1SG" and resid 31   and name HA  ))
   (  segid " 1SG" and resid 31   and name HD% )
      2.500     0.800     0.800 peak   644 weight  0.10000E+01 volume  0.13500E+06 ppm1      3.364 ppm2      5.762
 ASSI {  645}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.500     1.500     1.500 peak   645 weight  0.10000E+01 volume  0.15900E+05 ppm1      2.793 ppm2      5.759
 ASSI {  646}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (  segid " 1SG" and resid 31   and name HD% )
      2.500     0.800     0.800 peak   646 weight  0.10000E+01 volume  0.14400E+06 ppm1      2.470 ppm2      5.762
 ASSI {  647}
   (( segid " 1SG" and resid 31   and name HB2 ))
   (  segid " 1SG" and resid 31   and name HD% )
      2.400     0.700     0.700 peak   647 weight  0.10000E+01 volume  0.15800E+06 ppm1      1.963 ppm2      5.762
 ASSI {  649}
   (  segid " 1SG" and resid 34   and name HD1%)
   (  segid " 1SG" and resid 31   and name HD% )
      2.300     0.700     0.700 peak   649 weight  0.10000E+01 volume  0.19300E+06 ppm1     -1.231 ppm2      5.763
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   655 weight  0.10000E+01 volume  0.15900E+06 ppm1      3.519 ppm2      5.436
 ASSI {  657}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   657 weight  0.10000E+01 volume  0.71700E+05 ppm1      2.498 ppm2      5.434
 ASSI {  658}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   658 weight  0.10000E+01 volume  0.10500E+06 ppm1     10.138 ppm2      5.403
 ASSI {  659}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   659 weight  0.10000E+01 volume  0.87000E+05 ppm1      9.757 ppm2      5.386
 ASSI {  663}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.000     0.500     0.500 peak   663 weight  0.10000E+01 volume  0.54000E+06 ppm1      9.300 ppm2      5.346
 ASSI {  664}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      1.900     0.500     0.500 peak   664 weight  0.10000E+01 volume  0.64400E+06 ppm1      8.309 ppm2      5.355
 ASSI {  668}
   (( segid " 1SG" and resid 6    and name HA  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   668 weight  0.10000E+01 volume  0.41400E+05 ppm1      5.392 ppm2      5.168
 ASSI {  670}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   670 weight  0.10000E+01 volume  0.94700E+05 ppm1      8.639 ppm2      5.104
 ASSI {  673}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA  ))
      2.000     0.500     0.500 peak   673 weight  0.10000E+01 volume  0.51100E+06 ppm1     10.137 ppm2      5.061
 ASSI {  675}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   675 weight  0.10000E+01 volume  0.10200E+06 ppm1      7.346 ppm2      4.973
 ASSI {  676}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA  ))
      1.800     0.400     0.400 peak   676 weight  0.10000E+01 volume  0.83700E+06 ppm1      8.676 ppm2      4.890
 ASSI {  678}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   678 weight  0.10000E+01 volume  0.10300E+06 ppm1      8.158 ppm2      4.678
 ASSI {  681}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      1.900     0.500     0.500 peak   681 weight  0.10000E+01 volume  0.58700E+06 ppm1      7.819 ppm2      4.482
 ASSI {  688}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB  ))
      2.200     0.600     0.600 peak   688 weight  0.10000E+01 volume  0.27000E+06 ppm1      9.288 ppm2      4.377
 ASSI {  699}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   699 weight  0.10000E+01 volume  0.13600E+06 ppm1      7.388 ppm2      4.223
 ASSI {  701}
   (( segid " 1SG" and resid 38   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.600     0.800     0.800 peak   701 weight  0.10000E+01 volume  0.90600E+05 ppm1      2.903 ppm2      4.224
 ASSI {  702}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.400     0.700     0.700 peak   702 weight  0.10000E+01 volume  0.15300E+06 ppm1      7.907 ppm2      4.214
 ASSI {  704}
   (  segid " 1SG" and resid 34   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   704 weight  0.10000E+01 volume  0.19700E+05 ppm1     -0.192 ppm2      4.211
 ASSI {  707}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.500     2.500     2.000 peak   707 weight  0.10000E+01 volume  0.13400E+06 ppm1      2.560 ppm2      4.199
 ASSI {  712}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 9    and name HA  ))
      1.900     0.500     0.500 peak   712 weight  0.10000E+01 volume  0.58700E+06 ppm1      1.182 ppm2      4.157
 ASSI {  714}
   (( segid " 1SG" and resid 55   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA  ))
      2.000     0.500     0.500 peak   714 weight  0.10000E+01 volume  0.56100E+06 ppm1      7.951 ppm2      4.140
 ASSI {  717}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 29   and name HB  ))
      2.100     0.600     0.600 peak   717 weight  0.10000E+01 volume  0.33200E+06 ppm1      8.684 ppm2      4.087
 ASSI {  720}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 29   and name HB  ))
      1.900     0.500     0.500 peak   720 weight  0.10000E+01 volume  0.57800E+06 ppm1      0.824 ppm2      4.093
 OR {  720}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI {  724}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   724 weight  0.10000E+01 volume  0.87400E+05 ppm1      6.521 ppm2      4.066
 ASSI {  727}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   727 weight  0.10000E+01 volume  0.13200E+06 ppm1      9.161 ppm2      4.034
 ASSI {  733}
   (( segid " 1SG" and resid 50   and name HB1 ))
   (( segid " 1SG" and resid 47   and name HA  ))
      3.900     1.900     1.600 peak   733 weight  0.10000E+01 volume  0.85000E+04 ppm1      3.675 ppm2      4.046
 ASSI {  734}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.100     0.600     0.600 peak   734 weight  0.10000E+01 volume  0.40800E+06 ppm1      2.072 ppm2      4.037
 ASSI {  735}
   (( segid " 1SG" and resid 47   and name HB2 ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   735 weight  0.10000E+01 volume  0.25900E+06 ppm1      1.854 ppm2      4.048
 ASSI {  736}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.200     0.600     0.600 peak   736 weight  0.10000E+01 volume  0.28100E+06 ppm1      1.048 ppm2      4.034
 ASSI {  740}
   (( segid " 1SG" and resid 55   and name HN  ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   740 weight  0.10000E+01 volume  0.13000E+06 ppm1      7.949 ppm2      3.940
 ASSI {  741}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.200     0.600     0.600 peak   741 weight  0.10000E+01 volume  0.26100E+06 ppm1      7.869 ppm2      3.940
 ASSI {  742}
   (( segid " 1SG" and resid 55   and name HB1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.70600E+05 ppm1      1.930 ppm2      3.937
 ASSI {  743}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   743 weight  0.10000E+01 volume  0.12400E+06 ppm1      9.281 ppm2      3.925
 ASSI {  744}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.400     0.700     0.700 peak   744 weight  0.10000E+01 volume  0.16100E+06 ppm1      9.130 ppm2      3.921
 ASSI {  747}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.100     1.200     1.200 peak   747 weight  0.10000E+01 volume  0.34600E+05 ppm1      1.728 ppm2      3.928
 ASSI {  749}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA1 ))
      2.300     0.700     0.700 peak   749 weight  0.10000E+01 volume  0.18800E+06 ppm1      7.527 ppm2      3.902
 ASSI {  753}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   753 weight  0.10000E+01 volume  0.11300E+06 ppm1      8.684 ppm2      3.809
 ASSI {  754}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   754 weight  0.10000E+01 volume  0.10900E+06 ppm1      8.499 ppm2      3.811
 ASSI {  758}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   758 weight  0.10000E+01 volume  0.46500E+05 ppm1      2.496 ppm2      3.806
 ASSI {  761}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   761 weight  0.10000E+01 volume  0.37800E+05 ppm1      6.707 ppm2      3.793
 ASSI {  764}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   764 weight  0.10000E+01 volume  0.99900E+05 ppm1      2.148 ppm2      3.799
 ASSI {  765}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 32   and name HA  ))
      1.900     0.500     0.500 peak   765 weight  0.10000E+01 volume  0.63200E+06 ppm1      1.907 ppm2      3.799
 ASSI {  774}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HB1 ))
      2.200     0.600     0.600 peak   774 weight  0.10000E+01 volume  0.28100E+06 ppm1      7.927 ppm2      3.679
 ASSI {  776}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 50   and name HB1 ))
      2.600     0.800     0.800 peak   776 weight  0.10000E+01 volume  0.99700E+05 ppm1      6.640 ppm2      3.681
 ASSI {  779}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      5.500     3.800     0.000 peak   779 weight  0.10000E+01 volume  0.74700E+03 ppm1      3.053 ppm2      3.676
 ASSI {  785}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA2 ))
      2.700     0.900     0.900 peak   785 weight  0.10000E+01 volume  0.75400E+05 ppm1      7.641 ppm2      3.635
 ASSI {  792}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   792 weight  0.10000E+01 volume  0.33300E+05 ppm1      8.171 ppm2      3.562
 ASSI {  798}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   798 weight  0.10000E+01 volume  0.27700E+05 ppm1      9.288 ppm2      3.525
 ASSI {  802}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   802 weight  0.10000E+01 volume  0.32100E+05 ppm1      1.047 ppm2      3.521
 ASSI {  812}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   812 weight  0.10000E+01 volume  0.12200E+06 ppm1      8.284 ppm2      3.431
 ASSI {  816}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      4.200     2.200     1.300 peak   816 weight  0.10000E+01 volume  0.56800E+04 ppm1      6.981 ppm2      3.434
 OR {  816}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI {  817}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   817 weight  0.10000E+01 volume  0.70500E+05 ppm1      6.740 ppm2      3.428
 ASSI {  819}
   (( segid " 1SG" and resid 53   and name HB1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   819 weight  0.10000E+01 volume  0.12400E+05 ppm1      2.596 ppm2      3.424
 ASSI {  821}
   (( segid " 1SG" and resid 52   and name HB1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   821 weight  0.10000E+01 volume  0.86900E+05 ppm1      1.237 ppm2      3.430
 ASSI {  822}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   822 weight  0.10000E+01 volume  0.17100E+06 ppm1      1.093 ppm2      3.430
 ASSI {  823}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 52   and name HA  ))
      2.300     0.700     0.700 peak   823 weight  0.10000E+01 volume  0.19200E+06 ppm1      0.402 ppm2      3.429
 ASSI {  824}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   824 weight  0.10000E+01 volume  0.11700E+06 ppm1      0.278 ppm2      3.431
 ASSI {  828}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (( segid " 1SG" and resid 10   and name HB1 ))
      1.800     0.400     0.400 peak   828 weight  0.10000E+01 volume  0.90200E+06 ppm1      2.454 ppm2      3.380
 ASSI {  830}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   830 weight  0.10000E+01 volume  0.27500E+06 ppm1     -1.232 ppm2      3.370
 ASSI {  831}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   831 weight  0.10000E+01 volume  0.11400E+06 ppm1      9.861 ppm2      3.367
 ASSI {  834}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   834 weight  0.10000E+01 volume  0.75300E+05 ppm1      9.132 ppm2      3.353
 ASSI {  842}
   (( segid " 1SG" and resid 34   and name HG12))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   842 weight  0.10000E+01 volume  0.18500E+06 ppm1     -0.979 ppm2      3.311
 ASSI {  845}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HB1 ))
      1.900     0.500     0.500 peak   845 weight  0.10000E+01 volume  0.76900E+06 ppm1      2.533 ppm2      3.290
 ASSI {  847}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.700     0.900     0.900 peak   847 weight  0.10000E+01 volume  0.85200E+05 ppm1      8.222 ppm2      3.207
 ASSI {  848}
   (  segid " 1SG" and resid 17   and name HB% )
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.700     0.900     0.900 peak   848 weight  0.10000E+01 volume  0.86500E+05 ppm1      1.246 ppm2      3.211
 ASSI {  870}
   (( segid " 1SG" and resid 39   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      5.500     3.800     0.000 peak   870 weight  0.10000E+01 volume  0.59200E+03 ppm1      2.210 ppm2      3.103
 ASSI {  872}
   (  segid " 1SG" and resid 34   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB1 ))
      2.400     0.700     0.700 peak   872 weight  0.10000E+01 volume  0.16100E+06 ppm1     -0.193 ppm2      3.101
 ASSI {  873}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HB1 ))
      3.000     1.100     1.100 peak   873 weight  0.10000E+01 volume  0.46100E+05 ppm1      9.283 ppm2      3.047
 ASSI {  880}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 14   and name HB1 ))
      2.000     0.500     0.500 peak   880 weight  0.10000E+01 volume  0.47700E+06 ppm1      7.173 ppm2      3.019
 ASSI {  884}
   (  segid " 1SG" and resid 17   and name HB% )
   (( segid " 1SG" and resid 17   and name HA  ))
      2.100     0.600     0.600 peak   884 weight  0.10000E+01 volume  0.39300E+06 ppm1      1.239 ppm2      2.965
 ASSI {  889}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 5    and name HB1 ))
      2.000     0.500     0.500 peak   889 weight  0.10000E+01 volume  0.42400E+06 ppm1      7.126 ppm2      2.934
 ASSI {  896}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB2 ))
      2.200     0.600     0.600 peak   896 weight  0.10000E+01 volume  0.24600E+06 ppm1      7.716 ppm2      2.903
 ASSI {  906}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      5.500     3.800     0.000 peak   906 weight  0.10000E+01 volume  0.42700E+03 ppm1      1.959 ppm2      2.863
 ASSI {  909}
   (  segid " 1SG" and resid 17   and name HB% )
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.500     0.800     0.800 peak   909 weight  0.10000E+01 volume  0.11400E+06 ppm1      1.246 ppm2      2.858
 ASSI {  911}
   (( segid " 1SG" and resid 3    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      3.500     1.500     1.500 peak   911 weight  0.10000E+01 volume  0.15800E+05 ppm1      8.985 ppm2      2.851
 ASSI {  915}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak   915 weight  0.10000E+01 volume  0.10200E+06 ppm1      6.960 ppm2      2.794
 ASSI {  925}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 53   and name HB1 ))
      5.500     3.800     0.000 peak   925 weight  0.10000E+01 volume  0.94600E+03 ppm1      1.589 ppm2      2.593
 ASSI {  933}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   933 weight  0.10000E+01 volume  0.11900E+06 ppm1      7.926 ppm2      2.507
 ASSI {  934}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   934 weight  0.10000E+01 volume  0.26600E+06 ppm1      7.395 ppm2      2.515
 ASSI {  935}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HB2 ))
      3.100     1.200     1.200 peak   935 weight  0.10000E+01 volume  0.32900E+05 ppm1      9.195 ppm2      2.505
 ASSI {  937}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   937 weight  0.10000E+01 volume  0.13100E+06 ppm1      6.736 ppm2      2.500
 ASSI {  942}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   942 weight  0.10000E+01 volume  0.60400E+05 ppm1      0.827 ppm2      2.499
 ASSI {  943}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 53   and name HB2 ))
      3.000     1.100     1.100 peak   943 weight  0.10000E+01 volume  0.39700E+05 ppm1     10.138 ppm2      2.489
 ASSI {  947}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak   947 weight  0.10000E+01 volume  0.41800E+05 ppm1      8.222 ppm2      2.487
 ASSI {  957}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   957 weight  0.10000E+01 volume  0.38600E+05 ppm1      6.961 ppm2      2.466
 ASSI {  963}
   (( segid " 1SG" and resid 31   and name HB2 ))
   (( segid " 1SG" and resid 31   and name HB1 ))
      1.600     0.300     0.600 peak   963 weight  0.10000E+01 volume  0.15500E+07 ppm1      1.962 ppm2      2.466
 ASSI {  976}
   (  segid " 1SG" and resid 51   and name HG2%)
   (( segid " 1SG" and resid 51   and name HB  ))
      2.100     0.600     0.600 peak   976 weight  0.10000E+01 volume  0.38500E+06 ppm1      0.853 ppm2      2.326
 ASSI {  978}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB1 ))
      2.700     0.900     0.900 peak   978 weight  0.10000E+01 volume  0.74900E+05 ppm1      6.920 ppm2      2.306
 ASSI {  987}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB2 ))
      3.200     1.300     1.300 peak   987 weight  0.10000E+01 volume  0.30100E+05 ppm1      6.919 ppm2      2.211
 ASSI {  990}
   (( segid " 1SG" and resid 44   and name HA2 ))
   (( segid " 1SG" and resid 39   and name HB2 ))
      4.400     2.400     1.100 peak   990 weight  0.10000E+01 volume  0.45900E+04 ppm1      3.569 ppm2      2.207
 ASSI {  998}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   998 weight  0.10000E+01 volume  0.25100E+06 ppm1      9.137 ppm2      2.142
 ASSI { 1003}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak  1003 weight  0.10000E+01 volume  0.25900E+05 ppm1      0.640 ppm2      2.142
 ASSI { 1004}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak  1004 weight  0.10000E+01 volume  0.17300E+05 ppm1      9.860 ppm2      2.129
 ASSI { 1011}
   (( segid " 1SG" and resid 51   and name HB  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      4.000     2.000     1.500 peak  1011 weight  0.10000E+01 volume  0.81600E+04 ppm1      2.285 ppm2      2.087
 ASSI { 1012}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.800     1.000     1.000 peak  1012 weight  0.10000E+01 volume  0.62100E+05 ppm1      9.160 ppm2      2.075
 ASSI { 1015}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.200     0.600     0.600 peak  1015 weight  0.10000E+01 volume  0.25000E+06 ppm1      1.044 ppm2      2.071
 ASSI { 1025}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB2 ))
      3.400     1.400     1.400 peak  1025 weight  0.10000E+01 volume  0.22000E+05 ppm1      8.255 ppm2      1.961
 ASSI { 1034}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB1 ))
      2.600     0.800     0.800 peak  1034 weight  0.10000E+01 volume  0.97300E+05 ppm1      7.387 ppm2      1.954
 ASSI { 1039}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak  1039 weight  0.10000E+01 volume  0.24800E+06 ppm1      9.137 ppm2      1.915
 ASSI { 1049}
   (( segid " 1SG" and resid 53   and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak  1049 weight  0.10000E+01 volume  0.74900E+05 ppm1      2.596 ppm2      1.860
 ASSI { 1052}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB1 ))
      2.700     2.700     1.800 peak  1052 weight  0.10000E+01 volume  0.80000E+05 ppm1      9.327 ppm2      1.844
 ASSI { 1053}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  1053 weight  0.10000E+01 volume  0.61100E+05 ppm1      8.593 ppm2      1.859
 ASSI { 1057}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB1 ))
      1.800     0.400     0.400 peak  1057 weight  0.10000E+01 volume  0.97400E+06 ppm1      1.590 ppm2      1.855
 ASSI { 1064}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      5.500     3.800     0.000 peak  1064 weight  0.10000E+01 volume  0.85500E+03 ppm1      6.960 ppm2      1.762
 ASSI { 1068}
   (( segid " 1SG" and resid 3    and name HG  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      2.000     2.000     2.500 peak  1068 weight  0.10000E+01 volume  0.53900E+06 ppm1      0.763 ppm2      1.767
 ASSI { 1074}
   (( segid " 1SG" and resid 55   and name HB1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      1.800     0.400     0.400 peak  1074 weight  0.10000E+01 volume  0.82800E+06 ppm1      1.925 ppm2      1.734
 ASSI { 1079}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak  1079 weight  0.10000E+01 volume  0.37400E+05 ppm1      2.867 ppm2      1.702
 ASSI { 1084}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 13   and name HG11))
      2.200     2.200     2.300 peak  1084 weight  0.10000E+01 volume  0.27600E+06 ppm1      0.860 ppm2      1.614
 ASSI { 1098}
   (  segid " 1SG" and resid 9    and name HG2%)
   (  segid " 1SG" and resid 45   and name HB% )
      1.600     1.600     2.900 peak  1098 weight  0.10000E+01 volume  0.17000E+07 ppm1      1.145 ppm2      1.589
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 45   and name HB% )
      5.200     3.400     0.300 peak  1099 weight  0.10000E+01 volume  0.16100E+04 ppm1      8.592 ppm2      1.563
 ASSI { 1102}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak  1102 weight  0.10000E+01 volume  0.66700E+05 ppm1      6.897 ppm2      1.491
 ASSI { 1104}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (( segid " 1SG" and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak  1104 weight  0.10000E+01 volume  0.90400E+05 ppm1      3.041 ppm2      1.486
 ASSI { 1112}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HG12))
      5.400     3.600     0.100 peak  1112 weight  0.10000E+01 volume  0.13200E+04 ppm1      9.289 ppm2      1.459
 ASSI { 1115}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HG12))
      3.100     1.200     1.200 peak  1115 weight  0.10000E+01 volume  0.34500E+05 ppm1      1.047 ppm2      1.456
 ASSI { 1120}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HG12))
      2.200     0.600     0.600 peak  1120 weight  0.10000E+01 volume  0.24300E+06 ppm1      2.068 ppm2      1.444
 ASSI { 1126}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 46   and name HG2%)
      3.000     1.100     1.100 peak  1126 weight  0.10000E+01 volume  0.44700E+05 ppm1      8.041 ppm2      1.323
 ASSI { 1131}
   (  segid " 1SG" and resid 2    and name HD% )
   (  segid " 1SG" and resid 17   and name HB% )
      2.600     0.800     0.800 peak  1131 weight  0.10000E+01 volume  0.97700E+05 ppm1      7.197 ppm2      1.249
 ASSI { 1139}
   (( segid " 1SG" and resid 18   and name HB2 ))
   (  segid " 1SG" and resid 17   and name HB% )
      3.300     1.400     1.400 peak  1139 weight  0.10000E+01 volume  0.26000E+05 ppm1      1.488 ppm2      1.240
 ASSI { 1142}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 6    and name HB  ))
      2.500     0.800     0.800 peak  1142 weight  0.10000E+01 volume  0.12200E+06 ppm1      0.850 ppm2      1.212
 ASSI { 1143}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak  1143 weight  0.10000E+01 volume  0.14200E+06 ppm1      0.279 ppm2      1.224
 ASSI { 1149}
   (( segid " 1SG" and resid 6    and name HG12))
   (( segid " 1SG" and resid 6    and name HB  ))
      1.900     0.500     0.500 peak  1149 weight  0.10000E+01 volume  0.71500E+06 ppm1      0.606 ppm2      1.205
 ASSI { 1152}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.200     1.300     1.300 peak  1152 weight  0.10000E+01 volume  0.31700E+05 ppm1      9.713 ppm2      1.190
 ASSI { 1154}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak  1154 weight  0.10000E+01 volume  0.15000E+06 ppm1      7.978 ppm2      1.187
 ASSI { 1157}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 9    and name HG2%)
      2.900     1.100     1.100 peak  1157 weight  0.10000E+01 volume  0.49400E+05 ppm1      9.291 ppm2      1.164
 ASSI { 1167}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak  1167 weight  0.10000E+01 volume  0.28000E+06 ppm1      8.285 ppm2      1.097
 ASSI { 1170}
   (( segid " 1SG" and resid 5    and name HH2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak  1170 weight  0.10000E+01 volume  0.13500E+05 ppm1      7.171 ppm2      1.083
 ASSI { 1173}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak  1173 weight  0.10000E+01 volume  0.21900E+06 ppm1      0.278 ppm2      1.085
 ASSI { 1179}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.500     1.500     1.500 peak  1179 weight  0.10000E+01 volume  0.17500E+05 ppm1      9.289 ppm2      1.050
 ASSI { 1189}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 52   and name HG  ))
      2.400     0.700     0.700 peak  1189 weight  0.10000E+01 volume  0.14800E+06 ppm1      0.281 ppm2      0.961
 ASSI { 1197}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 8    and name HD1%)
      2.000     0.500     0.500 peak  1197 weight  0.10000E+01 volume  0.47600E+06 ppm1      1.048 ppm2      0.857
 ASSI { 1198}
   (( segid " 1SG" and resid 6    and name HG12))
   (  segid " 1SG" and resid 6    and name HG2%)
      2.200     0.600     0.600 peak  1198 weight  0.10000E+01 volume  0.27300E+06 ppm1      0.607 ppm2      0.852
 ASSI { 1203}
   (( segid " 1SG" and resid 14   and name HH  ))
   (  segid " 1SG" and resid 29   and name HG2%)
      3.500     1.500     1.500 peak  1203 weight  0.10000E+01 volume  0.16200E+05 ppm1      8.684 ppm2      0.822
 ASSI { 1212}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HG  ))
      1.800     1.800     2.700 peak  1212 weight  0.10000E+01 volume  0.85400E+06 ppm1      1.199 ppm2      0.765
 ASSI { 1214}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 3    and name HG  ))
      2.600     0.800     0.800 peak  1214 weight  0.10000E+01 volume  0.92500E+05 ppm1      0.404 ppm2      0.770
 ASSI { 1215}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 3    and name HG  ))
      3.800     1.800     1.700 peak  1215 weight  0.10000E+01 volume  0.10600E+05 ppm1      0.277 ppm2      0.768
 ASSI { 1220}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 13   and name HG2%)
      2.400     0.700     0.700 peak  1220 weight  0.10000E+01 volume  0.17400E+06 ppm1      9.758 ppm2      0.642
 ASSI { 1223}
   (( segid " 1SG" and resid 13   and name HN  ))
   (  segid " 1SG" and resid 13   and name HG2%)
      3.000     1.100     1.100 peak  1223 weight  0.10000E+01 volume  0.45000E+05 ppm1      7.728 ppm2      0.642
 ASSI { 1226}
   (( segid " 1SG" and resid 13   and name HB  ))
   (  segid " 1SG" and resid 13   and name HG2%)
      2.000     0.500     0.500 peak  1226 weight  0.10000E+01 volume  0.44000E+06 ppm1      1.450 ppm2      0.642
 ASSI { 1227}
   (  segid " 1SG" and resid 13   and name HD1%)
   (  segid " 1SG" and resid 13   and name HG2%)
      2.000     0.500     0.500 peak  1227 weight  0.10000E+01 volume  0.49900E+06 ppm1      0.420 ppm2      0.635
 ASSI { 1228}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG12))
      4.000     2.000     1.500 peak  1228 weight  0.10000E+01 volume  0.72900E+04 ppm1      8.289 ppm2      0.614
 ASSI { 1229}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HG12))
      5.500     3.800     0.000 peak  1229 weight  0.10000E+01 volume  0.14300E+03 ppm1      2.488 ppm2      0.617
 ASSI { 1230}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG12))
      5.500     3.800     0.000 peak  1230 weight  0.10000E+01 volume  0.31000E+03 ppm1     10.139 ppm2      0.602
 ASSI { 1231}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 6    and name HG12))
      4.600     2.600     0.900 peak  1231 weight  0.10000E+01 volume  0.33900E+04 ppm1      8.094 ppm2      0.606
 ASSI { 1240}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB  ))
      2.400     0.700     0.700 peak  1240 weight  0.10000E+01 volume  0.17100E+06 ppm1     -1.233 ppm2      0.574
 ASSI { 1242}
   (( segid " 1SG" and resid 6    and name HG11))
   (( segid " 1SG" and resid 13   and name HG12))
      3.200     1.300     1.300 peak  1242 weight  0.10000E+01 volume  0.30800E+05 ppm1      0.725 ppm2      0.505
 ASSI { 1243}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HG12))
      3.200     1.300     1.300 peak  1243 weight  0.10000E+01 volume  0.29000E+05 ppm1      9.758 ppm2      0.494
 ASSI { 1244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HG12))
      2.800     1.000     1.000 peak  1244 weight  0.10000E+01 volume  0.59200E+05 ppm1      7.729 ppm2      0.491
 ASSI { 1248}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 13   and name HG12))
      2.900     1.100     1.100 peak  1248 weight  0.10000E+01 volume  0.50000E+05 ppm1      1.203 ppm2      0.490
 ASSI { 1250}
   (( segid " 1SG" and resid 13   and name HB  ))
   (  segid " 1SG" and resid 13   and name HD1%)
      2.300     0.700     0.700 peak  1250 weight  0.10000E+01 volume  0.19600E+06 ppm1      1.449 ppm2      0.423
 ASSI { 1253}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.300 peak  1253 weight  0.10000E+01 volume  0.53700E+04 ppm1      8.285 ppm2      0.406
 ASSI { 1264}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HG11))
      2.200     0.600     0.600 peak  1264 weight  0.10000E+01 volume  0.28900E+06 ppm1     -1.237 ppm2      0.371
 ASSI { 1266}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 52   and name HD2%)
      3.400     1.400     1.400 peak  1266 weight  0.10000E+01 volume  0.21700E+05 ppm1      8.724 ppm2      0.278
 ASSI { 1267}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 52   and name HD2%)
      5.000     3.100     0.500 peak  1267 weight  0.10000E+01 volume  0.19100E+04 ppm1      8.285 ppm2      0.277
 ASSI { 1276}
   (  segid " 1SG" and resid 52   and name HD1%)
   (  segid " 1SG" and resid 52   and name HD2%)
      3.400     1.400     1.400 peak  1276 weight  0.10000E+01 volume  0.20300E+05 ppm1      0.402 ppm2      0.277
 ASSI { 1279}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 34   and name HG2%)
      3.100     1.200     1.200 peak  1279 weight  0.10000E+01 volume  0.37500E+05 ppm1      7.716 ppm2     -0.191
 ASSI { 1280}
   (( segid " 1SG" and resid 38   and name HD1 ))
   (  segid " 1SG" and resid 34   and name HG2%)
      3.200     1.300     1.300 peak  1280 weight  0.10000E+01 volume  0.27600E+05 ppm1      7.389 ppm2     -0.193
 ASSI { 1288}
   (( segid " 1SG" and resid 31   and name HA  ))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.600     0.800     0.800 peak  1288 weight  0.10000E+01 volume  0.10100E+06 ppm1      3.378 ppm2     -0.194
 ASSI { 1294}
   (( segid " 1SG" and resid 34   and name HB  ))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.000     0.500     0.500 peak  1294 weight  0.10000E+01 volume  0.44800E+06 ppm1      0.577 ppm2     -0.194
 ASSI { 1295}
   (( segid " 1SG" and resid 34   and name HG11))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.600     0.800     0.800 peak  1295 weight  0.10000E+01 volume  0.11000E+06 ppm1      0.371 ppm2     -0.192
 ASSI { 1296}
   (( segid " 1SG" and resid 34   and name HG12))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.400     0.700     0.700 peak  1296 weight  0.10000E+01 volume  0.17200E+06 ppm1     -0.979 ppm2     -0.193
 ASSI { 1297}
   (  segid " 1SG" and resid 34   and name HD1%)
   (  segid " 1SG" and resid 34   and name HG2%)
      2.000     0.500     0.500 peak  1297 weight  0.10000E+01 volume  0.43600E+06 ppm1     -1.232 ppm2     -0.193
 ASSI { 1300}
   (( segid " 1SG" and resid 25   and name HZ  ))
   (( segid " 1SG" and resid 34   and name HG12))
      3.500     1.500     1.500 peak  1300 weight  0.10000E+01 volume  0.17500E+05 ppm1      6.570 ppm2     -0.979
 ASSI { 1301}
   (  segid " 1SG" and resid 31   and name HD% )
   (( segid " 1SG" and resid 34   and name HG12))
      5.500     3.800     0.000 peak  1301 weight  0.10000E+01 volume  0.12200E+03 ppm1      5.767 ppm2     -0.975
 ASSI { 1304}
   (( segid " 1SG" and resid 34   and name HB  ))
   (( segid " 1SG" and resid 34   and name HG12))
      2.300     0.700     0.700 peak  1304 weight  0.10000E+01 volume  0.22600E+06 ppm1      0.578 ppm2     -0.976
 ASSI { 1305}
   (( segid " 1SG" and resid 34   and name HG11))
   (( segid " 1SG" and resid 34   and name HG12))
      1.800     0.400     0.400 peak  1305 weight  0.10000E+01 volume  0.79700E+06 ppm1      0.374 ppm2     -0.979
 ASSI { 1307}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HG12))
      2.100     0.600     0.600 peak  1307 weight  0.10000E+01 volume  0.41700E+06 ppm1     -1.238 ppm2     -0.981
 ASSI { 1310}
   (( segid " 1SG" and resid 14   and name HH  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      3.300     1.400     1.400 peak  1310 weight  0.10000E+01 volume  0.23500E+05 ppm1      8.683 ppm2     -1.232
 ASSI { 1312}
   (  segid " 1SG" and resid 14   and name HD% )
   (  segid " 1SG" and resid 34   and name HD1%)
      3.300     1.400     1.400 peak  1312 weight  0.10000E+01 volume  0.24500E+05 ppm1      7.172 ppm2     -1.231
 ASSI { 1313}
   (  segid " 1SG" and resid 25   and name HD% )
   (  segid " 1SG" and resid 34   and name HD1%)
      3.000     1.100     1.100 peak  1313 weight  0.10000E+01 volume  0.40700E+05 ppm1      6.898 ppm2     -1.231
 ASSI { 1320}
   (  segid " 1SG" and resid 29   and name HG2%)
   (  segid " 1SG" and resid 34   and name HD1%)
      2.500     0.800     0.800 peak  1320 weight  0.10000E+01 volume  0.11900E+06 ppm1      0.824 ppm2     -1.229
 ASSI { 1326}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 33   and name HN  ))
      5.500     3.800     0.000 peak  1326 weight  0.10000E+01 volume  0.20000E+03 ppm1      9.861 ppm2      7.417
 ASSI { 1330}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak  1330 weight  0.10000E+01 volume  0.41600E+05 ppm1      9.758 ppm2      3.020
 ASSI { 1332}
   (( segid " 1SG" and resid 5    and name HE1 ))
   (( segid " 1SG" and resid 30   and name HA  ))
      4.700     2.800     0.800 peak  1332 weight  0.10000E+01 volume  0.27500E+04 ppm1      9.715 ppm2      4.044
 ASSI { 1334}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1334 weight  0.10000E+01 volume  0.41900E+05 ppm1      9.327 ppm2      2.123
 ASSI { 1335}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA  ))
      3.300     1.400     1.400 peak  1335 weight  0.10000E+01 volume  0.25600E+05 ppm1      9.328 ppm2      4.052
 ASSI { 1336}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1336 weight  0.10000E+01 volume  0.67500E+05 ppm1      9.289 ppm2      4.140
 ASSI { 1337}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1337 weight  0.10000E+01 volume  0.57100E+05 ppm1      9.288 ppm2      4.034
 ASSI { 1338}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      3.200     1.300     1.300 peak  1338 weight  0.10000E+01 volume  0.28500E+05 ppm1      8.641 ppm2      4.153
 ASSI { 1339}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1339 weight  0.10000E+01 volume  0.11100E+06 ppm1      8.725 ppm2      4.483
 ASSI { 1342}
   (( segid " 1SG" and resid 34   and name HB  ))
   (( segid " 1SG" and resid 34   and name HG11))
      2.400     0.700     0.700 peak  1342 weight  0.10000E+01 volume  0.16700E+06 ppm1      0.582 ppm2      0.370
 ASSI { 1343}
   (( segid " 1SG" and resid 38   and name HZ3 ))
   (  segid " 1SG" and resid 31   and name HD% )
      3.300     1.400     1.400 peak  1343 weight  0.10000E+01 volume  0.25000E+05 ppm1      6.088 ppm2      5.766
 ASSI { 1346}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 31   and name HA  ))
      4.100     2.100     1.400 peak  1346 weight  0.10000E+01 volume  0.66800E+04 ppm1      6.389 ppm2      3.364
 ASSI { 1347}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 47   and name HA  ))
      3.200     1.300     1.300 peak  1347 weight  0.10000E+01 volume  0.27600E+05 ppm1      6.390 ppm2      4.033
 ASSI { 1348}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak  1348 weight  0.10000E+01 volume  0.78000E+05 ppm1      7.928 ppm2      5.438
 ASSI { 1352}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak  1352 weight  0.10000E+01 volume  0.87800E+05 ppm1      7.136 ppm2      5.431
 ASSI { 1355}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA  ))
      2.700     0.900     0.900 peak  1355 weight  0.10000E+01 volume  0.82000E+05 ppm1      9.296 ppm2      5.064
 ASSI { 1357}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak  1357 weight  0.10000E+01 volume  0.19000E+06 ppm1      6.872 ppm2      4.482
 ASSI { 1358}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.300     0.700     0.700 peak  1358 weight  0.10000E+01 volume  0.19500E+06 ppm1      7.909 ppm2      3.559
 ASSI { 1359}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.300     1.400     1.400 peak  1359 weight  0.10000E+01 volume  0.23800E+05 ppm1      7.908 ppm2      4.975
 ASSI { 1360}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA2 ))
      2.200     0.600     0.600 peak  1360 weight  0.10000E+01 volume  0.25200E+06 ppm1      7.527 ppm2      3.629
 ASSI { 1363}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.800     1.000     1.000 peak  1363 weight  0.10000E+01 volume  0.60300E+05 ppm1      6.922 ppm2      4.612
 ASSI { 1364}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak  1364 weight  0.10000E+01 volume  0.43400E+05 ppm1      7.526 ppm2      4.070
 ASSI { 1367}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  1367 weight  0.10000E+01 volume  0.28800E+05 ppm1      8.094 ppm2      5.105
 ASSI { 1373}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA  ))
      2.500     0.800     0.800 peak  1373 weight  0.10000E+01 volume  0.11800E+06 ppm1      9.132 ppm2      4.769
 ASSI { 1374}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
      2.900     1.100     1.100 peak  1374 weight  0.10000E+01 volume  0.50800E+05 ppm1      9.061 ppm2      3.670
 ASSI { 1375}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA1 ))
      3.100     1.200     1.200 peak  1375 weight  0.10000E+01 volume  0.32800E+05 ppm1      9.059 ppm2      4.211
 ASSI { 1377}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.200     0.600     0.600 peak  1377 weight  0.10000E+01 volume  0.30200E+06 ppm1      9.143 ppm2      4.613
 ASSI { 1378}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      2.200     0.600     0.600 peak  1378 weight  0.10000E+01 volume  0.28500E+06 ppm1      8.593 ppm2      4.677
 ASSI { 1379}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB  ))
      2.000     0.500     0.500 peak  1379 weight  0.10000E+01 volume  0.43000E+06 ppm1      8.593 ppm2      4.837
 ASSI { 1380}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB  ))
      2.900     1.100     1.100 peak  1380 weight  0.10000E+01 volume  0.55000E+05 ppm1      8.159 ppm2      4.837
 ASSI { 1381}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      4.000     2.000     1.500 peak  1381 weight  0.10000E+01 volume  0.82000E+04 ppm1      8.052 ppm2      4.673
 ASSI { 1384}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA  ))
      2.400     0.700     0.700 peak  1384 weight  0.10000E+01 volume  0.15200E+06 ppm1      7.812 ppm2      4.139
 ASSI { 1389}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      2.200     0.600     0.600 peak  1389 weight  0.10000E+01 volume  0.24900E+06 ppm1      8.221 ppm2      6.806
 ASSI { 1391}
   (( segid " 1SG" and resid 3    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.600     0.800     0.800 peak  1391 weight  0.10000E+01 volume  0.10000E+06 ppm1      8.981 ppm2      3.202
 ASSI { 1392}
   (( segid " 1SG" and resid 3    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.400     1.400     1.400 peak  1392 weight  0.10000E+01 volume  0.20200E+05 ppm1      8.983 ppm2      1.191
 ASSI { 1395}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.200     0.600     0.600 peak  1395 weight  0.10000E+01 volume  0.29300E+06 ppm1      7.197 ppm2      3.205
 ASSI { 1396}
   (( segid " 1SG" and resid 3    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      1.800     0.400     0.400 peak  1396 weight  0.10000E+01 volume  0.85900E+06 ppm1      8.987 ppm2      4.789
 ASSI { 1397}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.900     1.100     1.100 peak  1397 weight  0.10000E+01 volume  0.48700E+05 ppm1      7.352 ppm2      2.531
 ASSI { 1404}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1404 weight  0.10000E+01 volume  0.26700E+05 ppm1      6.523 ppm2      3.367
 ASSI { 1405}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 19   and name HA2 ))
      3.200     1.300     1.300 peak  1405 weight  0.10000E+01 volume  0.31200E+05 ppm1      6.521 ppm2      3.670
 ASSI { 1408}
   (( segid " 1SG" and resid 14   and name HH  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      4.200     2.200     1.300 peak  1408 weight  0.10000E+01 volume  0.59700E+04 ppm1      8.681 ppm2      3.672
 ASSI { 1415}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak  1415 weight  0.10000E+01 volume  0.61500E+05 ppm1      8.644 ppm2      2.467
 ASSI { 1416}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak  1416 weight  0.10000E+01 volume  0.34900E+05 ppm1      8.644 ppm2      3.387
 ASSI { 1417}
   (( segid " 1SG" and resid 25   and name HZ  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      3.700     1.700     1.700 peak  1417 weight  0.10000E+01 volume  0.13100E+05 ppm1      6.569 ppm2     -1.230
 ASSI { 1419}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB1 ))
      2.100     0.600     0.600 peak  1419 weight  0.10000E+01 volume  0.32800E+06 ppm1      8.286 ppm2      1.223
 ASSI { 1421}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (  segid " 1SG" and resid 52   and name HD1%)
      5.500     3.800     0.000 peak  1421 weight  0.10000E+01 volume  0.82400E+03 ppm1      7.524 ppm2      0.401
 ASSI { 1422}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (  segid " 1SG" and resid 52   and name HD1%)
      5.500     3.800     0.000 peak  1422 weight  0.10000E+01 volume  0.20300E+03 ppm1      6.974 ppm2      0.392
 OR { 1422}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (  segid " 1SG" and resid 52   and name HD1%)
 ASSI { 1424}
   (( segid " 1SG" and resid 52   and name HG  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      5.000     3.100     0.500 peak  1424 weight  0.10000E+01 volume  0.19900E+04 ppm1      0.956 ppm2      3.435
 ASSI { 1428}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (  segid " 1SG" and resid 52   and name HD1%)
      2.400     0.700     0.700 peak  1428 weight  0.10000E+01 volume  0.16100E+06 ppm1      1.077 ppm2      0.403
 ASSI { 1429}
   (  segid " 1SG" and resid 52   and name HD1%)
   (( segid " 1SG" and resid 3    and name HB1 ))
      5.000     3.100     0.500 peak  1429 weight  0.10000E+01 volume  0.20700E+04 ppm1      0.402 ppm2      1.765
 ASSI { 1430}
   (  segid " 1SG" and resid 52   and name HD2%)
   (( segid " 1SG" and resid 3    and name HB1 ))
      5.500     3.800     0.000 peak  1430 weight  0.10000E+01 volume  0.98300E+03 ppm1      0.274 ppm2      1.765
 ASSI { 1431}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 38   and name HZ3 ))
      3.000     1.100     1.100 peak  1431 weight  0.10000E+01 volume  0.41200E+05 ppm1      6.765 ppm2      6.088
 ASSI { 1433}
   (  segid " 1SG" and resid 53   and name HD% )
   (  segid " 1SG" and resid 53   and name HE% )
      1.800     0.400     0.400 peak  1433 weight  0.10000E+01 volume  0.96700E+06 ppm1      6.877 ppm2      6.736
 ASSI { 1434}
   (  segid " 1SG" and resid 25   and name HE% )
   (  segid " 1SG" and resid 25   and name HD% )
      2.000     0.500     0.500 peak  1434 weight  0.10000E+01 volume  0.53700E+06 ppm1      6.688 ppm2      6.899
 ASSI { 1436}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 25   and name HA  ))
      3.300     1.400     1.400 peak  1436 weight  0.10000E+01 volume  0.22700E+05 ppm1      6.686 ppm2      5.346
 ASSI { 1438}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak  1438 weight  0.10000E+01 volume  0.13400E+06 ppm1      7.636 ppm2      3.098
 ASSI { 1439}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 25   and name HB1 ))
      2.100     0.600     0.600 peak  1439 weight  0.10000E+01 volume  0.37400E+06 ppm1      6.899 ppm2      3.098
 ASSI { 1441}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB1 ))
      2.700     0.900     0.900 peak  1441 weight  0.10000E+01 volume  0.78900E+05 ppm1      7.398 ppm2      2.666
 ASSI { 1442}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1442 weight  0.10000E+01 volume  0.85400E+05 ppm1      7.390 ppm2      4.457
 ASSI { 1443}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HB  ))
      4.500     2.500     1.000 peak  1443 weight  0.10000E+01 volume  0.39800E+04 ppm1      9.196 ppm2      2.323
 ASSI { 1445}
   (  segid " 1SG" and resid 51   and name HG1%)
   (  segid " 1SG" and resid 51   and name HG2%)
      2.000     0.500     0.500 peak  1445 weight  0.10000E+01 volume  0.42500E+06 ppm1      1.000 ppm2      0.847
 ASSI { 1448}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak  1448 weight  0.10000E+01 volume  0.33400E+05 ppm1      9.300 ppm2      2.926
 ASSI { 1453}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak  1453 weight  0.10000E+01 volume  0.27700E+05 ppm1      6.961 ppm2      2.923
 ASSI { 1456}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB2 ))
      4.100     2.100     1.400 peak  1456 weight  0.10000E+01 volume  0.67600E+04 ppm1      8.052 ppm2      1.845
 ASSI { 1458}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.400     2.400     2.100 peak  1458 weight  0.10000E+01 volume  0.14600E+06 ppm1      8.097 ppm2      4.305
 ASSI { 1460}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (  segid " 1SG" and resid 29   and name HG2%)
      4.800     2.900     0.700 peak  1460 weight  0.10000E+01 volume  0.25300E+04 ppm1      6.432 ppm2      0.817
 ASSI { 1461}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.200     1.300     1.300 peak  1461 weight  0.10000E+01 volume  0.27100E+05 ppm1      6.433 ppm2      5.345
 ASSI { 1464}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG12))
      3.200     1.300     1.300 peak  1464 weight  0.10000E+01 volume  0.30500E+05 ppm1      3.371 ppm2     -0.979
 ASSI { 1470}
   (( segid " 1SG" and resid 34   and name HA  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      3.400     1.400     1.400 peak  1470 weight  0.10000E+01 volume  0.18800E+05 ppm1      3.306 ppm2     -1.228
 ASSI { 1474}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.600     0.800     0.800 peak  1474 weight  0.10000E+01 volume  0.97700E+05 ppm1      6.710 ppm2      3.367
 ASSI { 1475}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 5    and name HE1 ))
      2.700     0.900     0.900 peak  1475 weight  0.10000E+01 volume  0.78600E+05 ppm1      7.170 ppm2      9.735
 ASSI { 1476}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (( segid " 1SG" and resid 31   and name HN  ))
      4.000     2.000     1.500 peak  1476 weight  0.10000E+01 volume  0.78000E+04 ppm1      7.518 ppm2      9.865
 ASSI { 1477}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 47   and name HB2 ))
      4.400     2.400     1.100 peak  1477 weight  0.10000E+01 volume  0.41800E+04 ppm1      6.643 ppm2      1.866
 ASSI { 1479}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.900     1.900     1.600 peak  1479 weight  0.10000E+01 volume  0.92800E+04 ppm1      6.645 ppm2      5.439
 ASSI { 1482}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (( segid " 1SG" and resid 31   and name HB1 ))
      5.400     3.600     0.100 peak  1482 weight  0.10000E+01 volume  0.13000E+04 ppm1      7.518 ppm2      2.459
 ASSI { 1483}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      5.500     3.800     0.000 peak  1483 weight  0.10000E+01 volume  0.94600E+03 ppm1      7.518 ppm2      1.756
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      3.800     1.800     1.700 peak  1486 weight  0.10000E+01 volume  0.10600E+05 ppm1      8.289 ppm2      5.168
 ASSI { 1489}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB1 ))
      4.800     2.900     0.700 peak  1489 weight  0.10000E+01 volume  0.24400E+04 ppm1      8.172 ppm2      1.706
 ASSI { 1492}
   (  segid " 1SG" and resid 13   and name HD1%)
   (( segid " 1SG" and resid 13   and name HG11))
      2.000     0.500     0.500 peak  1492 weight  0.10000E+01 volume  0.47300E+06 ppm1      0.420 ppm2      1.615
 ASSI { 1493}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 13   and name HA  ))
      2.300     0.700     0.700 peak  1493 weight  0.10000E+01 volume  0.19800E+06 ppm1      0.640 ppm2      5.169
 ASSI { 1494}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  1494 weight  0.10000E+01 volume  0.47200E+05 ppm1      0.643 ppm2      5.367
 ASSI { 1497}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 13   and name HA  ))
      2.700     0.900     0.900 peak  1497 weight  0.10000E+01 volume  0.87600E+05 ppm1      0.421 ppm2      5.169
 ASSI { 1499}
   (( segid " 1SG" and resid 13   and name HG11))
   (( segid " 1SG" and resid 13   and name HA  ))
      5.200     3.400     0.300 peak  1499 weight  0.10000E+01 volume  0.16100E+04 ppm1      1.619 ppm2      5.168
 ASSI { 1500}
   (( segid " 1SG" and resid 13   and name HB  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak  1500 weight  0.10000E+01 volume  0.53100E+05 ppm1      1.454 ppm2      5.170
 ASSI { 1505}
   (( segid " 1SG" and resid 5    and name HZ3 ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.500     2.500     2.000 peak  1505 weight  0.10000E+01 volume  0.11400E+06 ppm1      6.981 ppm2      4.986
 ASSI { 1510}
   (  segid " 1SG" and resid 53   and name HE% )
   (( segid " 1SG" and resid 6    and name HG12))
      2.300     0.700     0.700 peak  1510 weight  0.10000E+01 volume  0.20500E+06 ppm1      6.725 ppm2      0.613
 ASSI { 1523}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  1523 weight  0.10000E+01 volume  0.39000E+05 ppm1      7.388 ppm2      2.898
 ASSI { 1533}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      2.400     2.400     2.100 peak  1533 weight  0.10000E+01 volume  0.17000E+06 ppm1      8.050 ppm2      3.108
 ASSI { 1534}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1534 weight  0.10000E+01 volume  0.82000E+05 ppm1      8.046 ppm2      2.926
 ASSI { 1539}
   (( segid " 1SG" and resid 55   and name HN  ))
   (( segid " 1SG" and resid 55   and name HB1 ))
      2.800     1.000     1.000 peak  1539 weight  0.10000E+01 volume  0.68400E+05 ppm1      7.951 ppm2      1.911
 ASSI { 1540}
   (( segid " 1SG" and resid 7    and name HB1 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak  1540 weight  0.10000E+01 volume  0.10100E+06 ppm1      2.988 ppm2      0.437
 ASSI { 1543}
   (( segid " 1SG" and resid 33   and name HB1 ))
   (  segid " 1SG" and resid 29   and name HG2%)
      5.400     3.600     0.100 peak  1543 weight  0.10000E+01 volume  0.12300E+04 ppm1      2.684 ppm2      0.819
 ASSI { 1548}
   (( segid " 1SG" and resid 24   and name HA1 ))
   (( segid " 1SG" and resid 24   and name HA2 ))
      2.000     0.500     0.500 peak  1548 weight  0.10000E+01 volume  0.48700E+06 ppm1      3.907 ppm2      3.625
 ASSI { 1551}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 5    and name HA  ))
      2.600     0.800     0.800 peak  1551 weight  0.10000E+01 volume  0.94500E+05 ppm1      3.428 ppm2      5.069
 ASSI { 1552}
   (( segid " 1SG" and resid 43   and name HB1 ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.400     0.700     0.700 peak  1552 weight  0.10000E+01 volume  0.17600E+06 ppm1      3.281 ppm2      4.973
 ASSI { 1555}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (( segid " 1SG" and resid 20   and name HA  ))
      2.200     2.200     2.300 peak  1555 weight  0.10000E+01 volume  0.31400E+06 ppm1      3.043 ppm2      4.772
 ASSI { 1558}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.700     0.900     0.900 peak  1558 weight  0.10000E+01 volume  0.78900E+05 ppm1      2.890 ppm2      5.347
 ASSI { 1560}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HA  ))
      2.600     0.800     0.800 peak  1560 weight  0.10000E+01 volume  0.10000E+06 ppm1      2.790 ppm2      5.059
 ASSI { 1561}
   (( segid " 1SG" and resid 14   and name HB2 ))
   (( segid " 1SG" and resid 14   and name HA  ))
      3.000     1.100     1.100 peak  1561 weight  0.10000E+01 volume  0.46800E+05 ppm1      2.865 ppm2      4.884
 ASSI { 1563}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1563 weight  0.10000E+01 volume  0.13500E+06 ppm1      2.845 ppm2      4.776
 ASSI { 1564}
   (( segid " 1SG" and resid 37   and name HB1 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.600     0.800     0.800 peak  1564 weight  0.10000E+01 volume  0.91800E+05 ppm1      2.865 ppm2      4.574
 ASSI { 1567}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.300     0.700     0.700 peak  1567 weight  0.10000E+01 volume  0.23800E+06 ppm1      2.532 ppm2      4.974
 ASSI { 1568}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (( segid " 1SG" and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1568 weight  0.10000E+01 volume  0.25300E+06 ppm1      2.456 ppm2      5.102
 ASSI { 1569}
   (( segid " 1SG" and resid 51   and name HB  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.200     2.200     2.300 peak  1569 weight  0.10000E+01 volume  0.29900E+06 ppm1      2.324 ppm2      4.986
 ASSI { 1570}
   (( segid " 1SG" and resid 4    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.500     1.500     1.500 peak  1570 weight  0.10000E+01 volume  0.17200E+05 ppm1      1.843 ppm2      5.343
 ASSI { 1571}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.400     0.700     0.700 peak  1571 weight  0.10000E+01 volume  0.15300E+06 ppm1      1.592 ppm2      5.347
 ASSI { 1573}
   (  segid " 1SG" and resid 51   and name HG1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1573 weight  0.10000E+01 volume  0.61600E+05 ppm1      1.005 ppm2      5.435
 ASSI { 1575}
   (  segid " 1SG" and resid 51   and name HG1%)
   (( segid " 1SG" and resid 51   and name HA  ))
      2.100     0.600     0.600 peak  1575 weight  0.10000E+01 volume  0.35800E+06 ppm1      1.000 ppm2      4.986
 ASSI { 1576}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.800     2.800     1.700 peak  1576 weight  0.10000E+01 volume  0.60600E+05 ppm1      1.098 ppm2      4.991
 ASSI { 1577}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      3.200     1.300     1.300 peak  1577 weight  0.10000E+01 volume  0.27800E+05 ppm1      1.201 ppm2      5.164
 ASSI { 1578}
   (  segid " 1SG" and resid 46   and name HG2%)
   (( segid " 1SG" and resid 46   and name HB  ))
      1.900     0.500     0.500 peak  1578 weight  0.10000E+01 volume  0.59300E+06 ppm1      1.324 ppm2      4.833
 ASSI { 1579}
   (  segid " 1SG" and resid 46   and name HG2%)
   (( segid " 1SG" and resid 46   and name HA  ))
      2.300     0.700     0.700 peak  1579 weight  0.10000E+01 volume  0.21700E+06 ppm1      1.325 ppm2      4.678
 ASSI { 1581}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak  1581 weight  0.10000E+01 volume  0.16500E+06 ppm1      1.194 ppm2      4.583
 ASSI { 1583}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1583 weight  0.10000E+01 volume  0.10300E+06 ppm1      0.857 ppm2      4.481
 ASSI { 1584}
   (( segid " 1SG" and resid 3    and name HG  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.100     0.600     0.600 peak  1584 weight  0.10000E+01 volume  0.38900E+06 ppm1      0.768 ppm2      4.584
 ASSI { 1592}
   (  segid " 1SG" and resid 29   and name HG2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      3.400     1.400     1.400 peak  1592 weight  0.10000E+01 volume  0.18900E+05 ppm1      0.822 ppm2      3.310
 ASSI { 1601}
   (  segid " 1SG" and resid 8    and name HD1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      3.800     1.800     1.700 peak  1601 weight  0.10000E+01 volume  0.10500E+05 ppm1      0.882 ppm2      2.086
 ASSI { 1603}
   (( segid " 1SG" and resid 52   and name HG  ))
   (( segid " 1SG" and resid 52   and name HB1 ))
      4.100     2.100     1.400 peak  1603 weight  0.10000E+01 volume  0.62100E+04 ppm1      0.954 ppm2      1.225
 ASSI { 1610}
   (( segid " 1SG" and resid 44   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.000     0.500     0.500 peak  1610 weight  0.10000E+01 volume  0.49800E+06 ppm1      3.568 ppm2      4.214
 ASSI { 1613}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.300     0.700     0.700 peak  1613 weight  0.10000E+01 volume  0.22500E+06 ppm1      2.583 ppm2      4.573
 ASSI { 1615}
   (( segid " 1SG" and resid 39   and name HB1 ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.400     0.700     0.700 peak  1615 weight  0.10000E+01 volume  0.18200E+06 ppm1      2.313 ppm2      4.626
 ASSI { 1616}
   (( segid " 1SG" and resid 39   and name HB2 ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.400     0.700     0.700 peak  1616 weight  0.10000E+01 volume  0.17600E+06 ppm1      2.208 ppm2      4.610
 ASSI { 1620}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak  1620 weight  0.10000E+01 volume  0.17700E+06 ppm1      1.762 ppm2      4.584
 ASSI { 1623}
   (( segid " 1SG" and resid 47   and name HB1 ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.200     2.200     2.300 peak  1623 weight  0.10000E+01 volume  0.27500E+06 ppm1      1.986 ppm2      4.320
 ASSI { 1624}
   (( segid " 1SG" and resid 23   and name HB1 ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.000     0.500     0.500 peak  1624 weight  0.10000E+01 volume  0.52500E+06 ppm1      1.963 ppm2      4.060
 ASSI { 1626}
   (( segid " 1SG" and resid 23   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  1626 weight  0.10000E+01 volume  0.73400E+05 ppm1      1.477 ppm2      4.075
 ASSI { 1630}
   (  segid " 1SG" and resid 9    and name HG2%)
   (( segid " 1SG" and resid 9    and name HB  ))
      2.000     0.500     0.500 peak  1630 weight  0.10000E+01 volume  0.43700E+06 ppm1      1.172 ppm2      4.377
 ASSI { 1631}
   (( segid " 1SG" and resid 18   and name HB1 ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak  1631 weight  0.10000E+01 volume  0.39600E+06 ppm1      1.696 ppm2      4.250
 ASSI { 1643}
   (  segid " 1SG" and resid 50   and name HE% )
   (  segid " 1SG" and resid 50   and name HD% )
      2.000     0.500     0.500 peak  1643 weight  0.10000E+01 volume  0.48300E+06 ppm1      6.758 ppm2      7.135
 ASSI {    2}
   (( segid " 1SG" and resid 38   and name HZ2 ))
   (( segid " 1SG" and resid 38   and name HE1 ))
      2.400     0.700     0.700 peak     2 weight  0.10000E+01 volume  0.73800E+05 ppm1      7.229 ppm2     10.704
 ASSI {   11}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 6    and name HN  ))
      3.200     1.300     1.300 peak    11 weight  0.10000E+01 volume  0.13800E+05 ppm1      3.553 ppm2     10.213
 ASSI {   16}
   (  segid " 1SG" and resid 6    and name HG2%)
   (( segid " 1SG" and resid 6    and name HN  ))
      2.200     0.600     0.600 peak    16 weight  0.10000E+01 volume  0.12400E+06 ppm1      0.964 ppm2     10.212
 ASSI {   18}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 31   and name HN  ))
      2.500     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.56200E+05 ppm1      9.176 ppm2      9.975
 ASSI {   26}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 31   and name HN  ))
      2.100     0.600     0.600 peak    26 weight  0.10000E+01 volume  0.15900E+06 ppm1      2.575 ppm2      9.972
 ASSI {   34}
   (( segid " 1SG" and resid 14   and name HB2 ))
   (( segid " 1SG" and resid 14   and name HN  ))
      2.300     0.700     0.700 peak    34 weight  0.10000E+01 volume  0.98900E+05 ppm1      2.980 ppm2      9.835
 ASSI {   39}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.600     1.600     1.600 peak    39 weight  0.10000E+01 volume  0.68800E+04 ppm1      7.779 ppm2      9.824
 ASSI {   42}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 14   and name HN  ))
      2.800     1.000     1.000 peak    42 weight  0.10000E+01 volume  0.29400E+05 ppm1      6.878 ppm2      9.834
 ASSI {   55}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak    55 weight  0.10000E+01 volume  0.75100E+05 ppm1      2.909 ppm2      9.396
 ASSI {   58}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      2.200     0.600     0.600 peak    58 weight  0.10000E+01 volume  0.12900E+06 ppm1      8.755 ppm2      9.374
 ASSI {   91}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      5.300     3.500     0.200 peak    91 weight  0.10000E+01 volume  0.69900E+03 ppm1      8.386 ppm2      9.238
 ASSI {   96}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 40   and name HN  ))
      3.000     1.100     1.100 peak    96 weight  0.10000E+01 volume  0.22200E+05 ppm1      6.881 ppm2      9.233
 ASSI {   97}
   (( segid " 1SG" and resid 39   and name HB1 ))
   (( segid " 1SG" and resid 40   and name HN  ))
      2.600     0.800     0.800 peak    97 weight  0.10000E+01 volume  0.53500E+05 ppm1      2.434 ppm2      9.232
 ASSI {  100}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HN  ))
      2.000     2.000     2.500 peak   100 weight  0.10000E+01 volume  0.21200E+06 ppm1      3.017 ppm2      9.213
 ASSI {  101}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   101 weight  0.10000E+01 volume  0.30000E+05 ppm1      7.733 ppm2      9.192
 ASSI {  110}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 32   and name HN  ))
      4.200     2.200     1.300 peak   110 weight  0.10000E+01 volume  0.26200E+04 ppm1      2.579 ppm2      9.179
 ASSI {  115}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   115 weight  0.10000E+01 volume  0.10200E+05 ppm1      8.390 ppm2      9.163
 ASSI {  119}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 3    and name HN  ))
      3.600     1.600     1.600 peak   119 weight  0.10000E+01 volume  0.72600E+04 ppm1      8.591 ppm2      9.073
 ASSI {  120}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HN  ))
      3.600     1.600     1.600 peak   120 weight  0.10000E+01 volume  0.66000E+04 ppm1      8.366 ppm2      9.071
 ASSI {  124}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (( segid " 1SG" and resid 3    and name HN  ))
      2.700     0.900     0.900 peak   124 weight  0.10000E+01 volume  0.39100E+05 ppm1      2.088 ppm2      9.075
 ASSI {  152}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 14   and name HH  ))
      5.500     3.800     0.000 peak   152 weight  0.10000E+01 volume  0.92900E+02 ppm1      4.025 ppm2      8.723
 ASSI {  156}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   156 weight  0.10000E+01 volume  0.49700E+05 ppm1      8.132 ppm2      8.695
 ASSI {  169}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   169 weight  0.10000E+01 volume  0.18100E+05 ppm1      7.075 ppm2      8.594
 ASSI {  180}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      5.500     3.800     0.000 peak   180 weight  0.10000E+01 volume  0.48200E+03 ppm1      7.617 ppm2      8.468
 ASSI {  181}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   181 weight  0.10000E+01 volume  0.88600E+05 ppm1      7.490 ppm2      8.464
 ASSI {  192}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   192 weight  0.10000E+01 volume  0.20200E+05 ppm1      6.880 ppm2      8.397
 ASSI {  195}
   (( segid " 1SG" and resid 7    and name HB1 ))
   (( segid " 1SG" and resid 7    and name HN  ))
      2.300     0.700     0.700 peak   195 weight  0.10000E+01 volume  0.94900E+05 ppm1      3.066 ppm2      8.393
 ASSI {  201}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   201 weight  0.10000E+01 volume  0.13300E+05 ppm1      6.503 ppm2      8.368
 ASSI {  204}
   (( segid " 1SG" and resid 2    and name HB1 ))
   (( segid " 1SG" and resid 2    and name HN  ))
      3.200     1.300     1.300 peak   204 weight  0.10000E+01 volume  0.14800E+05 ppm1      3.335 ppm2      8.357
 ASSI {  212}
   (  segid " 1SG" and resid 17   and name HB% )
   (( segid " 1SG" and resid 17   and name HN  ))
      1.800     0.400     0.400 peak   212 weight  0.10000E+01 volume  0.44900E+06 ppm1      1.349 ppm2      8.334
 ASSI {  216}
   (( segid " 1SG" and resid 51   and name HB  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.200     2.200     2.300 peak   216 weight  0.10000E+01 volume  0.13300E+06 ppm1      2.436 ppm2      8.324
 ASSI {  236}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      2.200     0.600     0.600 peak   236 weight  0.10000E+01 volume  0.14300E+06 ppm1      7.459 ppm2      8.166
 ASSI {  248}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      2.200     0.600     0.600 peak   248 weight  0.10000E+01 volume  0.12700E+06 ppm1      7.500 ppm2      8.084
 ASSI {  253}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 44   and name HN  ))
      2.100     0.600     0.600 peak   253 weight  0.10000E+01 volume  0.20200E+06 ppm1      7.460 ppm2      8.038
 ASSI {  327}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (  segid " 1SG" and resid 2    and name HD% )
      3.400     1.400     1.400 peak   327 weight  0.10000E+01 volume  0.91600E+04 ppm1      2.084 ppm2      7.313
 ASSI {  329}
   (( segid " 1SG" and resid 14   and name HB2 ))
   (  segid " 1SG" and resid 14   and name HD% )
      2.000     0.500     0.500 peak   329 weight  0.10000E+01 volume  0.26900E+06 ppm1      2.979 ppm2      7.297
 ASSI {  342}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (  segid " 1SG" and resid 50   and name HD% )
      2.400     0.700     0.700 peak   342 weight  0.10000E+01 volume  0.80300E+05 ppm1      2.909 ppm2      7.257
 ASSI {  348}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 38   and name HZ2 ))
      5.500     3.800     0.000 peak   348 weight  0.10000E+01 volume  0.24700E+03 ppm1      3.615 ppm2      7.230
 ASSI {  364}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 5    and name HD1 ))
      3.400     1.400     1.400 peak   364 weight  0.10000E+01 volume  0.10300E+05 ppm1      2.571 ppm2      7.078
 OR {  364}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 5    and name HZ3 ))
 ASSI {  369}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (  segid " 1SG" and resid 25   and name HD% )
      2.600     0.800     0.800 peak   369 weight  0.10000E+01 volume  0.49400E+05 ppm1      3.147 ppm2      7.023
 ASSI {  381}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (  segid " 1SG" and resid 53   and name HD% )
      3.700     1.700     1.700 peak   381 weight  0.10000E+01 volume  0.55200E+04 ppm1      1.691 ppm2      6.988
 ASSI {  382}
   (( segid " 1SG" and resid 6    and name HB  ))
   (  segid " 1SG" and resid 53   and name HD% )
      3.500     1.500     1.500 peak   382 weight  0.10000E+01 volume  0.78000E+04 ppm1      1.320 ppm2      6.992
 ASSI {  401}
   (( segid " 1SG" and resid 7    and name HB2 ))
   (  segid " 1SG" and resid 50   and name HE% )
      3.400     1.400     1.400 peak   401 weight  0.10000E+01 volume  0.10700E+05 ppm1      2.461 ppm2      6.887
 ASSI {  421}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 31   and name HZ  ))
      2.000     0.500     0.500 peak   421 weight  0.10000E+01 volume  0.25400E+06 ppm1      6.491 ppm2      6.744
 ASSI {  431}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 25   and name HZ  ))
      3.400     1.400     1.400 peak   431 weight  0.10000E+01 volume  0.10300E+05 ppm1      3.480 ppm2      6.670
 ASSI {  461}
   (( segid " 1SG" and resid 38   and name HH2 ))
   (( segid " 1SG" and resid 38   and name HZ3 ))
      2.200     0.600     0.600 peak   461 weight  0.10000E+01 volume  0.14000E+06 ppm1      6.995 ppm2      6.218
 ASSI {  462}
   (( segid " 1SG" and resid 38   and name HE3 ))
   (( segid " 1SG" and resid 38   and name HZ3 ))
      2.200     0.600     0.600 peak   462 weight  0.10000E+01 volume  0.12300E+06 ppm1      6.829 ppm2      6.220
 ASSI {  479}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      1.800     0.400     0.400 peak   479 weight  0.10000E+01 volume  0.40600E+06 ppm1      9.287 ppm2      5.551
 ASSI {  480}
   (( segid " 1SG" and resid 50   and name HB1 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   480 weight  0.10000E+01 volume  0.22700E+05 ppm1      3.797 ppm2      5.552
 ASSI {  485}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      1.800     0.400     0.400 peak   485 weight  0.10000E+01 volume  0.40200E+06 ppm1      8.387 ppm2      5.494
 ASSI {  487}
   (( segid " 1SG" and resid 6    and name HB  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      1.900     0.500     0.500 peak   487 weight  0.10000E+01 volume  0.29000E+06 ppm1      1.321 ppm2      5.496
 ASSI {  488}
   (( segid " 1SG" and resid 13   and name HG12))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   488 weight  0.10000E+01 volume  0.13200E+05 ppm1      0.639 ppm2      5.497
 ASSI {  490}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   490 weight  0.10000E+01 volume  0.48300E+05 ppm1      8.591 ppm2      5.457
 ASSI {  493}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   493 weight  0.10000E+01 volume  0.53300E+05 ppm1      7.733 ppm2      5.445
 ASSI {  494}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 25   and name HA  ))
      2.000     0.500     0.500 peak   494 weight  0.10000E+01 volume  0.22000E+06 ppm1      7.017 ppm2      5.443
 ASSI {  495}
   (( segid " 1SG" and resid 25   and name HB1 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.500     0.800     0.800 peak   495 weight  0.10000E+01 volume  0.56400E+05 ppm1      3.214 ppm2      5.442
 ASSI {  497}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      1.800     0.400     0.400 peak   497 weight  0.10000E+01 volume  0.40700E+06 ppm1      9.828 ppm2      5.285
 ASSI {  499}
   (( segid " 1SG" and resid 13   and name HG12))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   499 weight  0.10000E+01 volume  0.73800E+05 ppm1      0.641 ppm2      5.284
 ASSI {  501}
   (( segid " 1SG" and resid 10   and name HB1 ))
   (( segid " 1SG" and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   501 weight  0.10000E+01 volume  0.13400E+06 ppm1      3.514 ppm2      5.212
 ASSI {  505}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 5    and name HA  ))
      2.200     0.600     0.600 peak   505 weight  0.10000E+01 volume  0.13700E+06 ppm1      8.807 ppm2      5.179
 ASSI {  508}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.000     0.500     0.500 peak   508 weight  0.10000E+01 volume  0.23400E+06 ppm1      8.318 ppm2      5.095
 ASSI {  523}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   523 weight  0.10000E+01 volume  0.10100E+06 ppm1      8.131 ppm2      4.424
 ASSI {  525}
   (  segid " 1SG" and resid 26   and name HG2%)
   (( segid " 1SG" and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   525 weight  0.10000E+01 volume  0.13400E+06 ppm1      1.442 ppm2      4.431
 ASSI {  528}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.300     0.700     0.700 peak   528 weight  0.10000E+01 volume  0.91400E+05 ppm1      9.274 ppm2      4.350
 ASSI {  538}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   538 weight  0.10000E+01 volume  0.76500E+05 ppm1      9.163 ppm2      4.279
 ASSI {  539}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   539 weight  0.10000E+01 volume  0.66400E+05 ppm1      8.460 ppm2      4.278
 ASSI {  541}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      1.800     0.400     0.400 peak   541 weight  0.10000E+01 volume  0.42900E+06 ppm1      7.775 ppm2      4.272
 ASSI {  544}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      1.800     0.400     0.400 peak   544 weight  0.10000E+01 volume  0.45700E+06 ppm1      9.362 ppm2      4.216
 ASSI {  548}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 29   and name HB  ))
      2.200     0.600     0.600 peak   548 weight  0.10000E+01 volume  0.14700E+06 ppm1      6.502 ppm2      4.200
 ASSI {  549}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA  ))
      2.000     0.500     0.500 peak   549 weight  0.10000E+01 volume  0.22400E+06 ppm1      9.969 ppm2      4.175
 ASSI {  551}
   (( segid " 1SG" and resid 30   and name HB1 ))
   (( segid " 1SG" and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   551 weight  0.10000E+01 volume  0.62100E+05 ppm1      2.244 ppm2      4.174
 ASSI {  552}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   552 weight  0.10000E+01 volume  0.74700E+05 ppm1      8.692 ppm2      4.158
 ASSI {  553}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   553 weight  0.10000E+01 volume  0.20600E+05 ppm1      8.132 ppm2      4.157
 ASSI {  554}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   554 weight  0.10000E+01 volume  0.77500E+05 ppm1      7.246 ppm2      4.158
 ASSI {  555}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   555 weight  0.10000E+01 volume  0.47800E+05 ppm1      6.740 ppm2      4.157
 ASSI {  558}
   (( segid " 1SG" and resid 38   and name HZ3 ))
   (( segid " 1SG" and resid 47   and name HA  ))
      3.500     1.500     1.500 peak   558 weight  0.10000E+01 volume  0.80500E+04 ppm1      6.212 ppm2      4.152
 ASSI {  565}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   565 weight  0.10000E+01 volume  0.16200E+05 ppm1      8.460 ppm2      4.048
 ASSI {  571}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.600     0.800     0.800 peak   571 weight  0.10000E+01 volume  0.44100E+05 ppm1      6.636 ppm2      4.014
 ASSI {  574}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   574 weight  0.10000E+01 volume  0.13300E+06 ppm1      6.636 ppm2      3.927
 ASSI {  583}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HB1 ))
      3.600     1.600     1.600 peak   583 weight  0.10000E+01 volume  0.64500E+04 ppm1      9.290 ppm2      3.792
 ASSI {  584}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.000     0.500     0.500 peak   584 weight  0.10000E+01 volume  0.22900E+06 ppm1      9.188 ppm2      3.788
 ASSI {  585}
   (( segid " 1SG" and resid 11   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA2 ))
      2.000     0.500     0.500 peak   585 weight  0.10000E+01 volume  0.22300E+06 ppm1      8.202 ppm2      3.785
 ASSI {  587}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 50   and name HB1 ))
      2.000     0.500     0.500 peak   587 weight  0.10000E+01 volume  0.24600E+06 ppm1      7.239 ppm2      3.777
 ASSI {  589}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 50   and name HB1 ))
      2.700     0.900     0.900 peak   589 weight  0.10000E+01 volume  0.35900E+05 ppm1      6.497 ppm2      3.783
 ASSI {  592}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HB1 ))
      1.800     0.400     0.400 peak   592 weight  0.10000E+01 volume  0.43500E+06 ppm1      2.633 ppm2      3.782
 ASSI {  599}
   (( segid " 1SG" and resid 26   and name HB  ))
   (( segid " 1SG" and resid 24   and name HA2 ))
      5.500     3.800     0.000 peak   599 weight  0.10000E+01 volume  0.30600E+03 ppm1      4.428 ppm2      3.729
 ASSI {  603}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   603 weight  0.10000E+01 volume  0.20300E+05 ppm1      7.502 ppm2      3.686
 ASSI {  609}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   609 weight  0.10000E+01 volume  0.36900E+05 ppm1      8.388 ppm2      3.636
 ASSI {  612}
   (( segid " 1SG" and resid 38   and name HH2 ))
   (( segid " 1SG" and resid 40   and name HA  ))
      3.900     1.900     1.600 peak   612 weight  0.10000E+01 volume  0.42500E+04 ppm1      6.992 ppm2      3.617
 ASSI {  613}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   613 weight  0.10000E+01 volume  0.56400E+05 ppm1      6.878 ppm2      3.615
 ASSI {  617}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      1.800     0.400     0.400 peak   617 weight  0.10000E+01 volume  0.38800E+06 ppm1      8.807 ppm2      3.554
 ASSI {  628}
   (( segid " 1SG" and resid 31   and name HB1 ))
   (( segid " 1SG" and resid 31   and name HA  ))
      1.600     1.600     2.900 peak   628 weight  0.10000E+01 volume  0.79000E+06 ppm1      2.564 ppm2      3.498
 ASSI {  634}
   (( segid " 1SG" and resid 34   and name HB  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   634 weight  0.10000E+01 volume  0.44500E+05 ppm1      0.694 ppm2      3.483
 ASSI {  648}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.200     0.600     0.600 peak   648 weight  0.10000E+01 volume  0.15300E+06 ppm1      2.592 ppm2      3.313
 ASSI {  652}
   (  segid " 1SG" and resid 2    and name HE% )
   (( segid " 1SG" and resid 28   and name HA2 ))
      2.400     2.400     2.100 peak   652 weight  0.10000E+01 volume  0.78800E+05 ppm1      6.920 ppm2      3.254
 ASSI {  653}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      2.200     0.600     0.600 peak   653 weight  0.10000E+01 volume  0.14000E+06 ppm1      9.274 ppm2      3.228
 ASSI {  659}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB1 ))
      2.200     0.600     0.600 peak   659 weight  0.10000E+01 volume  0.12800E+06 ppm1      7.801 ppm2      3.208
 ASSI {  677}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB1 ))
      2.300     0.700     0.700 peak   677 weight  0.10000E+01 volume  0.10800E+06 ppm1      9.165 ppm2      3.064
 ASSI {  680}
   (( segid " 1SG" and resid 7    and name HB2 ))
   (( segid " 1SG" and resid 7    and name HB1 ))
      1.800     0.400     0.400 peak   680 weight  0.10000E+01 volume  0.39300E+06 ppm1      2.467 ppm2      3.069
 ASSI {  681}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HB1 ))
      5.000     3.100     0.500 peak   681 weight  0.10000E+01 volume  0.92600E+03 ppm1     10.207 ppm2      3.052
 ASSI {  682}
   (( segid " 1SG" and resid 5    and name HB2 ))
   (( segid " 1SG" and resid 5    and name HB1 ))
      1.700     0.400     0.500 peak   682 weight  0.10000E+01 volume  0.53300E+06 ppm1      2.908 ppm2      3.059
 ASSI {  697}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.200     0.600     0.600 peak   697 weight  0.10000E+01 volume  0.13600E+06 ppm1      8.750 ppm2      2.985
 ASSI {  698}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   698 weight  0.10000E+01 volume  0.14600E+06 ppm1      8.368 ppm2      2.980
 ASSI {  701}
   (( segid " 1SG" and resid 14   and name HB1 ))
   (( segid " 1SG" and resid 14   and name HB2 ))
      1.800     0.400     0.400 peak   701 weight  0.10000E+01 volume  0.43100E+06 ppm1      3.129 ppm2      2.981
 ASSI {  702}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      1.700     0.400     0.500 peak   702 weight  0.10000E+01 volume  0.67100E+06 ppm1      2.267 ppm2      2.985
 ASSI {  723}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB1 ))
      2.200     0.600     0.600 peak   723 weight  0.10000E+01 volume  0.12800E+06 ppm1      8.807 ppm2      2.722
 ASSI {  725}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 53   and name HB1 ))
      2.300     0.700     0.700 peak   725 weight  0.10000E+01 volume  0.10400E+06 ppm1      6.986 ppm2      2.721
 ASSI {  738}
   (  segid " 1SG" and resid 50   and name HD% )
   (( segid " 1SG" and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak   738 weight  0.10000E+01 volume  0.23200E+06 ppm1      7.244 ppm2      2.616
 ASSI {  757}
   (( segid " 1SG" and resid 4    and name HB1 ))
   (( segid " 1SG" and resid 53   and name HB2 ))
      5.500     3.800     0.000 peak   757 weight  0.10000E+01 volume  0.25000E+03 ppm1      1.966 ppm2      2.582
 ASSI {  763}
   (  segid " 1SG" and resid 14   and name HE% )
   (( segid " 1SG" and resid 31   and name HB1 ))
      4.900     3.000     0.600 peak   763 weight  0.10000E+01 volume  0.11000E+04 ppm1      6.638 ppm2      2.574
 ASSI {  779}
   (  segid " 1SG" and resid 51   and name HG1%)
   (( segid " 1SG" and resid 51   and name HB  ))
      2.000     0.500     0.500 peak   779 weight  0.10000E+01 volume  0.26400E+06 ppm1      1.121 ppm2      2.437
 ASSI {  823}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak   823 weight  0.10000E+01 volume  0.83000E+05 ppm1      8.692 ppm2      2.066
 ASSI {  825}
   (( segid " 1SG" and resid 23   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB1 ))
      1.600     0.300     0.600 peak   825 weight  0.10000E+01 volume  0.87000E+06 ppm1      1.591 ppm2      2.064
 ASSI {  837}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   837 weight  0.10000E+01 volume  0.80200E+05 ppm1      8.033 ppm2      1.954
 ASSI {  838}
   (  segid " 1SG" and resid 53   and name HD% )
   (( segid " 1SG" and resid 4    and name HB1 ))
      4.200     2.200     1.300 peak   838 weight  0.10000E+01 volume  0.26300E+04 ppm1      6.985 ppm2      1.958
 ASSI {  848}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      1.700     0.400     0.500 peak   848 weight  0.10000E+01 volume  0.69700E+06 ppm1      1.307 ppm2      1.878
 ASSI {  854}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak   854 weight  0.10000E+01 volume  0.73800E+05 ppm1      9.362 ppm2      1.840
 ASSI {  861}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB1 ))
      2.400     2.400     2.100 peak   861 weight  0.10000E+01 volume  0.81400E+05 ppm1      3.082 ppm2      1.794
 ASSI {  864}
   (  segid " 1SG" and resid 8    and name HD1%)
   (( segid " 1SG" and resid 8    and name HG11))
      4.200     2.200     1.300 peak   864 weight  0.10000E+01 volume  0.26700E+04 ppm1      0.981 ppm2      1.723
 ASSI {  872}
   (( segid " 1SG" and resid 20   and name HB1 ))
   (  segid " 1SG" and resid 22   and name HB% )
      5.500     3.800     0.000 peak   872 weight  0.10000E+01 volume  0.50200E+03 ppm1      3.147 ppm2      1.701
 ASSI {  875}
   (  segid " 1SG" and resid 13   and name HG2%)
   (( segid " 1SG" and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak   875 weight  0.10000E+01 volume  0.15100E+06 ppm1      0.764 ppm2      1.714
 ASSI {  906}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB1 ))
      1.600     0.300     0.600 peak   906 weight  0.10000E+01 volume  0.99000E+06 ppm1      1.202 ppm2      1.342
 ASSI {  948}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 51   and name HG1%)
      2.700     0.900     0.900 peak   948 weight  0.10000E+01 volume  0.36200E+05 ppm1      9.286 ppm2      1.123
 ASSI {  971}
   (( segid " 1SG" and resid 4    and name HB1 ))
   (  segid " 1SG" and resid 13   and name HG2%)
      4.500     2.500     1.000 peak   971 weight  0.10000E+01 volume  0.17800E+04 ppm1      1.947 ppm2      0.772
 ASSI {  992}
   (( segid " 1SG" and resid 13   and name HG11))
   (( segid " 1SG" and resid 13   and name HG12))
      1.800     0.400     0.400 peak   992 weight  0.10000E+01 volume  0.52000E+06 ppm1      1.735 ppm2      0.646
 ASSI {  993}
   (  segid " 1SG" and resid 53   and name HD% )
   (  segid " 1SG" and resid 6    and name HD1%)
      4.900     3.000     0.600 peak   993 weight  0.10000E+01 volume  0.11300E+04 ppm1      6.989 ppm2      0.559
 ASSI {  997}
   (( segid " 1SG" and resid 6    and name HB  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak   997 weight  0.10000E+01 volume  0.35600E+05 ppm1      1.331 ppm2      0.548
 ASSI { 1003}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 34   and name HG11))
      2.400     0.700     0.700 peak  1003 weight  0.10000E+01 volume  0.82800E+05 ppm1      6.803 ppm2      0.496
 ASSI { 1009}
   (( segid " 1SG" and resid 5    and name HZ2 ))
   (  segid " 1SG" and resid 52   and name HD2%)
      3.800     1.800     1.700 peak  1009 weight  0.10000E+01 volume  0.51300E+04 ppm1      7.641 ppm2      0.397
 ASSI { 1022}
   (( segid " 1SG" and resid 38   and name HB2 ))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.400     0.700     0.700 peak  1022 weight  0.10000E+01 volume  0.79600E+05 ppm1      3.017 ppm2     -0.080
 ASSI { 1029}
   (  segid " 1SG" and resid 25   and name HE% )
   (( segid " 1SG" and resid 34   and name HG12))
      2.500     0.800     0.800 peak  1029 weight  0.10000E+01 volume  0.58300E+05 ppm1      6.806 ppm2     -0.820
 ASSI { 1047}
   (( segid " 1SG" and resid 38   and name HE1 ))
   (( segid " 1SG" and resid 40   and name HA  ))
      5.500     3.800     0.000 peak  1047 weight  0.10000E+01 volume  0.94300E+02 ppm1     10.697 ppm2      3.622
 ASSI { 1049}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.500     1.500     1.500 peak  1049 weight  0.10000E+01 volume  0.79900E+04 ppm1     10.207 ppm2      4.593
 ASSI { 1050}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA  ))
      2.600     0.800     0.800 peak  1050 weight  0.10000E+01 volume  0.47700E+05 ppm1      9.824 ppm2      5.007
 ASSI { 1054}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak  1054 weight  0.10000E+01 volume  0.43100E+05 ppm1      9.238 ppm2      5.551
 ASSI { 1056}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     2.800     1.700 peak  1056 weight  0.10000E+01 volume  0.33700E+05 ppm1      9.389 ppm2      4.930
 ASSI { 1066}
   (( segid " 1SG" and resid 32   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      5.500     3.800     0.000 peak  1066 weight  0.10000E+01 volume  0.47500E+03 ppm1      9.188 ppm2      4.545
 ASSI { 1070}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak  1070 weight  0.10000E+01 volume  0.27800E+05 ppm1      9.274 ppm2      3.029
 ASSI { 1074}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak  1074 weight  0.10000E+01 volume  0.78900E+05 ppm1      9.189 ppm2      3.165
 ASSI { 1079}
   (( segid " 1SG" and resid 3    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1079 weight  0.10000E+01 volume  0.65500E+05 ppm1      9.062 ppm2      4.699
 ASSI { 1081}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB  ))
      2.200     0.600     0.600 peak  1081 weight  0.10000E+01 volume  0.11900E+06 ppm1      8.758 ppm2      4.495
 ASSI { 1082}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      1.900     0.500     0.500 peak  1082 weight  0.10000E+01 volume  0.30300E+06 ppm1      8.591 ppm2      4.931
 ASSI { 1088}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      4.100     2.100     1.400 peak  1088 weight  0.10000E+01 volume  0.30000E+04 ppm1      8.809 ppm2      1.222
 ASSI { 1093}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HB  ))
      2.300     2.300     2.200 peak  1093 weight  0.10000E+01 volume  0.90500E+05 ppm1      8.389 ppm2      1.325
 ASSI { 1097}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1097 weight  0.10000E+01 volume  0.29800E+05 ppm1      8.046 ppm2      5.461
 ASSI { 1099}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.500     0.800     0.800 peak  1099 weight  0.10000E+01 volume  0.55900E+05 ppm1      7.782 ppm2      5.288
 ASSI { 1100}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA  ))
      5.000     3.100     0.500 peak  1100 weight  0.10000E+01 volume  0.99500E+03 ppm1      7.750 ppm2      5.008
 ASSI { 1103}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB  ))
      2.600     0.800     0.800 peak  1103 weight  0.10000E+01 volume  0.52700E+05 ppm1      8.132 ppm2      4.959
 ASSI { 1104}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1104 weight  0.10000E+01 volume  0.86100E+05 ppm1      8.176 ppm2      4.915
 ASSI { 1109}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      5.400     3.600     0.100 peak  1109 weight  0.10000E+01 volume  0.61200E+03 ppm1      8.335 ppm2      3.925
 ASSI { 1113}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG  ))
      2.800     2.800     1.700 peak  1113 weight  0.10000E+01 volume  0.32500E+05 ppm1      8.319 ppm2      1.097
 ASSI { 1116}
   (( segid " 1SG" and resid 37   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak  1116 weight  0.10000E+01 volume  0.12100E+05 ppm1      8.265 ppm2      2.990
 ASSI { 1121}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA1 ))
      2.300     0.700     0.700 peak  1121 weight  0.10000E+01 volume  0.11100E+06 ppm1      8.084 ppm2      4.273
 ASSI { 1122}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.700     1.700     1.700 peak  1122 weight  0.10000E+01 volume  0.59700E+04 ppm1      8.007 ppm2      4.410
 ASSI { 1125}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.700     0.900     0.900 peak  1125 weight  0.10000E+01 volume  0.35400E+05 ppm1      7.801 ppm2      4.691
 ASSI { 1128}
   (  segid " 1SG" and resid 25   and name HD% )
   (( segid " 1SG" and resid 34   and name HG12))
      4.500     2.500     1.000 peak  1128 weight  0.10000E+01 volume  0.18200E+04 ppm1      7.017 ppm2     -0.817
 ASSI { 1130}
   (  segid " 1SG" and resid 53   and name HD% )
   (  segid " 1SG" and resid 6    and name HG2%)
      3.000     1.100     1.100 peak  1130 weight  0.10000E+01 volume  0.21700E+05 ppm1      6.987 ppm2      0.960
 ASSI { 1133}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak  1133 weight  0.10000E+01 volume  0.81100E+05 ppm1      7.736 ppm2      3.014
 ASSI { 1139}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 2    and name HA  ))
      2.000     0.500     0.500 peak  1139 weight  0.10000E+01 volume  0.24100E+06 ppm1      7.309 ppm2      4.915
 ASSI { 1140}
   (  segid " 1SG" and resid 14   and name HD% )
   (( segid " 1SG" and resid 14   and name HA  ))
      2.200     0.600     0.600 peak  1140 weight  0.10000E+01 volume  0.12100E+06 ppm1      7.279 ppm2      5.007
 ASSI { 1141}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 15   and name HA  ))
      4.000     2.000     1.500 peak  1141 weight  0.10000E+01 volume  0.36500E+04 ppm1      7.077 ppm2      4.932
 ASSI { 1143}
   (  segid " 1SG" and resid 53   and name HE% )
   (( segid " 1SG" and resid 53   and name HA  ))
      5.000     3.100     0.500 peak  1143 weight  0.10000E+01 volume  0.10000E+04 ppm1      6.848 ppm2      4.593
 ASSI { 1144}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      3.900     1.900     1.600 peak  1144 weight  0.10000E+01 volume  0.46600E+04 ppm1      6.801 ppm2      4.565
 ASSI { 1151}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak  1151 weight  0.10000E+01 volume  0.11500E+06 ppm1      6.808 ppm2      3.439
 ASSI { 1155}
   (( segid " 1SG" and resid 29   and name HG1 ))
   (( segid " 1SG" and resid 25   and name HB1 ))
      5.400     3.600     0.100 peak  1155 weight  0.10000E+01 volume  0.64300E+03 ppm1      6.502 ppm2      3.233
 ASSI { 1156}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 47   and name HB1 ))
      3.700     1.700     1.700 peak  1156 weight  0.10000E+01 volume  0.56100E+04 ppm1      6.498 ppm2      2.051
 ASSI { 1157}
   (  segid " 1SG" and resid 31   and name HE% )
   (( segid " 1SG" and resid 47   and name HB2 ))
      4.600     2.600     0.900 peak  1157 weight  0.10000E+01 volume  0.17100E+04 ppm1      6.499 ppm2      1.968
 ASSI { 1158}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      5.400     3.600     0.100 peak  1158 weight  0.10000E+01 volume  0.64300E+03 ppm1      6.802 ppm2      2.643
 ASSI { 1162}
   (  segid " 1SG" and resid 2    and name HD% )
   (( segid " 1SG" and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak  1162 weight  0.10000E+01 volume  0.87200E+05 ppm1      7.307 ppm2      2.596
 ASSI { 1166}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      5.000     3.100     0.500 peak  1166 weight  0.10000E+01 volume  0.10200E+04 ppm1      7.476 ppm2      3.894
 ASSI { 1169}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 20   and name HB1 ))
      2.300     2.300     2.200 peak  1169 weight  0.10000E+01 volume  0.11700E+06 ppm1      7.474 ppm2      3.174
 ASSI { 1181}
   (( segid " 1SG" and resid 5    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  1181 weight  0.10000E+01 volume  0.47300E+05 ppm1      7.076 ppm2      5.457
 ASSI { 1183}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.600     0.800     0.800 peak  1183 weight  0.10000E+01 volume  0.48000E+05 ppm1      6.860 ppm2      5.096
 ASSI { 1184}
   (( segid " 1SG" and resid 5    and name HE3 ))
   (( segid " 1SG" and resid 5    and name HA  ))
      3.200     1.300     1.300 peak  1184 weight  0.10000E+01 volume  0.13100E+05 ppm1      6.865 ppm2      5.176
 ASSI { 1185}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 13   and name HA  ))
      4.700     2.800     0.800 peak  1185 weight  0.10000E+01 volume  0.14900E+04 ppm1      6.882 ppm2      5.287
 ASSI { 1186}
   (  segid " 1SG" and resid 50   and name HE% )
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1186 weight  0.10000E+01 volume  0.69000E+04 ppm1      6.877 ppm2      5.503
 ASSI { 1188}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1188 weight  0.10000E+01 volume  0.42100E+05 ppm1      5.454 ppm2      4.930
 ASSI { 1190}
   (( segid " 1SG" and resid 31   and name HZ  ))
   (( segid " 1SG" and resid 38   and name HZ3 ))
      3.100     1.200     1.200 peak  1190 weight  0.10000E+01 volume  0.15700E+05 ppm1      6.741 ppm2      6.217
 ASSI { 1197}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 38   and name HE1 ))
      5.500     3.800     0.000 peak  1197 weight  0.10000E+01 volume  0.36000E+03 ppm1     -1.088 ppm2     10.690
 ASSI { 1206}
   (( segid " 1SG" and resid 34   and name HA  ))
   (  segid " 1SG" and resid 34   and name HG2%)
      2.400     0.700     0.700 peak  1206 weight  0.10000E+01 volume  0.73200E+05 ppm1      3.423 ppm2     -0.079
 ASSI { 1207}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG11))
      2.800     1.000     1.000 peak  1207 weight  0.10000E+01 volume  0.28700E+05 ppm1      3.493 ppm2      0.487
 ASSI { 1208}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG11))
      2.900     1.100     1.100 peak  1208 weight  0.10000E+01 volume  0.25700E+05 ppm1      3.422 ppm2      0.486
 ASSI { 1209}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB  ))
      3.100     1.200     1.200 peak  1209 weight  0.10000E+01 volume  0.18100E+05 ppm1      3.408 ppm2      0.699
 ASSI { 1212}
   (( segid " 1SG" and resid 9    and name HB  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      5.500     3.800     0.000 peak  1212 weight  0.10000E+01 volume  0.40500E+03 ppm1      4.514 ppm2      4.275
 ASSI { 1217}
   (( segid " 1SG" and resid 47   and name HA  ))
   (( segid " 1SG" and resid 47   and name HB1 ))
      3.200     1.300     1.300 peak  1217 weight  0.10000E+01 volume  0.13000E+05 ppm1      4.148 ppm2      2.067
 ASSI { 1219}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      4.500     2.500     1.000 peak  1219 weight  0.10000E+01 volume  0.17500E+04 ppm1      3.620 ppm2      2.462
 ASSI { 1223}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak  1223 weight  0.10000E+01 volume  0.38300E+05 ppm1      3.483 ppm2      2.075
 ASSI { 1226}
   (( segid " 1SG" and resid 2    and name HB1 ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.000     0.500     0.500 peak  1226 weight  0.10000E+01 volume  0.23800E+06 ppm1      3.335 ppm2      2.979
 ASSI { 1228}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      4.900     3.000     0.600 peak  1228 weight  0.10000E+01 volume  0.11000E+04 ppm1      3.643 ppm2      3.219
 ASSI { 1229}
   (( segid " 1SG" and resid 37   and name HB1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      1.800     0.400     0.400 peak  1229 weight  0.10000E+01 volume  0.44300E+06 ppm1      3.008 ppm2      2.673
 ASSI { 1234}
   (( segid " 1SG" and resid 2    and name HB1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.700     0.700 peak  1234 weight  0.10000E+01 volume  0.11700E+06 ppm1      3.325 ppm2      4.919
 ASSI { 1236}
   (( segid " 1SG" and resid 14   and name HB1 ))
   (( segid " 1SG" and resid 14   and name HA  ))
      2.400     0.700     0.700 peak  1236 weight  0.10000E+01 volume  0.73200E+05 ppm1      3.126 ppm2      5.006
 ASSI { 1237}
   (( segid " 1SG" and resid 5    and name HB1 ))
   (( segid " 1SG" and resid 5    and name HA  ))
      3.100     1.200     1.200 peak  1237 weight  0.10000E+01 volume  0.16100E+05 ppm1      3.067 ppm2      5.178
 ASSI { 1242}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      5.100     3.300     0.400 peak  1242 weight  0.10000E+01 volume  0.83600E+03 ppm1      0.550 ppm2      5.498
 ASSI { 1243}
   (( segid " 1SG" and resid 6    and name HG12))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.900     1.100     1.100 peak  1243 weight  0.10000E+01 volume  0.24300E+05 ppm1      0.718 ppm2      5.499
 ASSI { 1247}
   (( segid " 1SG" and resid 11   and name HA2 ))
   (( segid " 1SG" and resid 11   and name HA1 ))
      1.900     0.500     0.500 peak  1247 weight  0.10000E+01 volume  0.28200E+06 ppm1      3.797 ppm2      4.327
 ASSI { 1249}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.400     0.700     0.700 peak  1249 weight  0.10000E+01 volume  0.77800E+05 ppm1      3.802 ppm2      4.017
 ASSI { 1256}
   (( segid " 1SG" and resid 20   and name HB2 ))
   (( segid " 1SG" and resid 20   and name HA  ))
      2.300     0.700     0.700 peak  1256 weight  0.10000E+01 volume  0.96400E+05 ppm1      2.990 ppm2      4.896
 ASSI { 1260}
   (( segid " 1SG" and resid 16   and name HB1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      5.000     3.100     0.500 peak  1260 weight  0.10000E+01 volume  0.92100E+03 ppm1      2.590 ppm2      4.918
 ASSI { 1261}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1261 weight  0.10000E+01 volume  0.59000E+05 ppm1      2.268 ppm2      4.931
 ASSI { 1280}
   (( segid " 1SG" and resid 4    and name HB2 ))
   (( segid " 1SG" and resid 15   and name HA  ))
      4.700     2.800     0.800 peak  1280 weight  0.10000E+01 volume  0.14400E+04 ppm1      1.692 ppm2      4.939
 ASSI { 1293}
   (( segid " 1SG" and resid 30   and name HB2 ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     2.500     2.000 peak  1293 weight  0.10000E+01 volume  0.59500E+05 ppm1      1.871 ppm2      4.221
 ASSI { 1295}
   (  segid " 1SG" and resid 45   and name HB% )
   (( segid " 1SG" and resid 45   and name HA  ))
      1.900     0.500     0.500 peak  1295 weight  0.10000E+01 volume  0.28300E+06 ppm1      1.707 ppm2      4.357
 ASSI { 1296}
   (( segid " 1SG" and resid 18   and name HB2 ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1296 weight  0.10000E+01 volume  0.34700E+05 ppm1      1.595 ppm2      4.368
 ASSI { 1300}
   (( segid " 1SG" and resid 16   and name HB2 ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.300     0.700     0.700 peak  1300 weight  0.10000E+01 volume  0.96600E+05 ppm1      2.084 ppm2      3.922
 ASSI { 1304}
   (( segid " 1SG" and resid 53   and name HB2 ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.200     0.600     0.600 peak  1304 weight  0.10000E+01 volume  0.13500E+06 ppm1      2.605 ppm2      4.585
 ASSI { 1306}
   (( segid " 1SG" and resid 53   and name HB1 ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1306 weight  0.10000E+01 volume  0.38400E+05 ppm1      2.719 ppm2      4.594
 ASSI { 1307}
   (( segid " 1SG" and resid 33   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.300     0.700     0.700 peak  1307 weight  0.10000E+01 volume  0.96600E+05 ppm1      2.761 ppm2      4.571
 ASSI { 1308}
   (( segid " 1SG" and resid 38   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.700     0.700 peak  1308 weight  0.10000E+01 volume  0.11100E+06 ppm1      3.209 ppm2      4.340
 ASSI { 1310}
   (( segid " 1SG" and resid 28   and name HA2 ))
   (( segid " 1SG" and resid 28   and name HA1 ))
      2.000     0.500     0.500 peak  1310 weight  0.10000E+01 volume  0.25800E+06 ppm1      3.272 ppm2      4.273
 ASSI { 1314}
   (  segid " 1SG" and resid 22   and name HB% )
   (( segid " 1SG" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak  1314 weight  0.10000E+01 volume  0.18200E+06 ppm1      1.702 ppm2      4.276
 ASSI { 1315}
   (( segid " 1SG" and resid 8    and name HG12))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.200     1.300     1.300 peak  1315 weight  0.10000E+01 volume  0.14300E+05 ppm1      1.594 ppm2      4.168
 ASSI { 1316}
   (( segid " 1SG" and resid 8    and name HG12))
   (( segid " 1SG" and resid 9    and name HA  ))
      3.100     1.200     1.200 peak  1316 weight  0.10000E+01 volume  0.16900E+05 ppm1      1.577 ppm2      4.258
 ASSI { 1318}
   (  segid " 1SG" and resid 26   and name HG2%)
   (( segid " 1SG" and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  1318 weight  0.10000E+01 volume  0.74200E+05 ppm1      1.410 ppm2      4.226
 ASSI { 1322}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 2    and name HB1 ))
      2.500     2.500     2.000 peak  1322 weight  0.10000E+01 volume  0.62500E+05 ppm1      3.127 ppm2      3.305
 ASSI { 1325}
   (( segid " 1SG" and resid 30   and name HB1 ))
   (( segid " 1SG" and resid 30   and name HB2 ))
      1.800     0.400     0.400 peak  1325 weight  0.10000E+01 volume  0.48700E+06 ppm1      2.241 ppm2      1.841
 ASSI { 1329}
   (( segid " 1SG" and resid 13   and name HB  ))
   (( segid " 1SG" and resid 13   and name HG12))
      2.700     0.900     0.900 peak  1329 weight  0.10000E+01 volume  0.38100E+05 ppm1      1.588 ppm2      0.646
 ASSI { 1333}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak  1333 weight  0.10000E+01 volume  0.75800E+05 ppm1      8.035 ppm2      3.229

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           HT1      ALA   1 -14.756  -2.197   0.594
    2    HA   ALA   1           HA       ALA   1 -14.016  -4.044   1.986
    3   1HB   ALA   1          HB1       ALA   1 -15.020  -5.473  -0.138
    4   2HB   ALA   1          HB2       ALA   1 -13.993  -6.165   1.117
    5   3HB   ALA   1          HB3       ALA   1 -13.284  -5.629  -0.406
    6    H    TYR   2           HN       TYR   2 -12.540  -2.115   2.004
    7    HA   TYR   2           HA       TYR   2 -10.500  -1.629   0.085
    8   1HB   TYR   2          HB2       TYR   2 -10.823  -1.188   3.061
    9   2HB   TYR   2          HB1       TYR   2  -9.371  -0.649   2.218
   10    HD1  TYR   2           HD1      TYR   2 -12.415   0.474   3.370
   11    HD2  TYR   2           HD2      TYR   2 -10.053   0.485  -0.219
   12    HE1  TYR   2           HE1      TYR   2 -13.622   2.493   2.582
   13    HE2  TYR   2           HE2      TYR   2 -11.261   2.504  -1.007
   14    HH   TYR   2           HH       TYR   2 -14.099   3.501   0.113
   15    H    LEU   3           HN       LEU   3  -8.634  -2.724  -0.375
   16    HA   LEU   3           HA       LEU   3  -7.990  -5.160   1.191
   17   1HB   LEU   3          HB1       LEU   3  -7.403  -3.989  -1.501
   18   2HB   LEU   3          HB2       LEU   3  -6.229  -5.129  -0.844
   19    HG   LEU   3           HG       LEU   3  -8.086  -6.757  -0.462
   20   1HD1  LEU   3          HD11      LEU   3 -10.107  -5.677  -0.317
   21   2HD1  LEU   3          HD12      LEU   3 -10.142  -6.011  -2.049
   22   3HD1  LEU   3          HD13      LEU   3  -9.636  -4.425  -1.467
   23   1HD2  LEU   3          HD21      LEU   3  -6.897  -7.159  -2.455
   24   2HD2  LEU   3          HD22      LEU   3  -7.499  -5.687  -3.218
   25   3HD2  LEU   3          HD23      LEU   3  -8.572  -7.069  -2.999
   26    H    LYS   4           HN       LYS   4  -5.570  -5.544   1.597
   27    HA   LYS   4           HA       LYS   4  -4.179  -2.979   2.271
   28   1HB   LYS   4          HB1       LYS   4  -4.392  -5.522   3.918
   29   2HB   LYS   4          HB2       LYS   4  -3.496  -4.079   4.388
   30   1HG   LYS   4          HG2       LYS   4  -5.851  -2.914   3.915
   31   2HG   LYS   4          HG1       LYS   4  -6.449  -4.531   4.284
   32   1HD   LYS   4          HD1       LYS   4  -4.522  -4.050   6.249
   33   2HD   LYS   4          HD2       LYS   4  -5.364  -2.509   6.083
   34   1HE   LYS   4          HE1       LYS   4  -7.472  -4.264   6.045
   35   2HE   LYS   4          HE2       LYS   4  -6.355  -5.079   7.156
   36   1HZ   LYS   4          HZ1       LYS   4  -6.022  -2.816   8.189
   37   2HZ   LYS   4          HZ2       LYS   4  -7.544  -3.521   8.457
   38   3HZ   LYS   4          HZ3       LYS   4  -7.369  -2.291   7.299
   39    H    TRP   5           HN       TRP   5  -1.838  -3.139   2.283
   40    HA   TRP   5           HA       TRP   5  -0.777  -5.581   0.882
   41   1HB   TRP   5          HB2       TRP   5  -0.074  -2.656   0.427
   42   2HB   TRP   5          HB1       TRP   5   0.595  -4.024  -0.460
   43    HD1  TRP   5           HD1      TRP   5  -2.930  -2.630   0.322
   44    HE1  TRP   5           HE1      TRP   5  -4.368  -2.854  -1.788
   45    HE3  TRP   5           HE3      TRP   5   0.427  -4.908  -2.768
   46    HZ2  TRP   5           HZ2      TRP   5  -4.136  -3.888  -4.455
   47    HZ3  TRP   5           HZ3      TRP   5  -0.208  -5.507  -5.089
   48    HH2  TRP   5           HH2      TRP   5  -2.482  -4.999  -5.934
   49    H    ILE   6           HN       ILE   6   1.107  -6.389   1.782
   50    HA   ILE   6           HA       ILE   6   2.337  -4.782   3.987
   51    HB   ILE   6           HB       ILE   6   1.441  -6.891   4.735
   52   1HG1  ILE   6          HG12      ILE   6   3.399  -8.033   5.581
   53   2HG1  ILE   6          HG11      ILE   6   4.401  -7.361   4.296
   54   1HG2  ILE   6          HG21      ILE   6   2.870  -8.032   2.328
   55   2HG2  ILE   6          HG22      ILE   6   1.147  -8.099   2.694
   56   3HG2  ILE   6          HG23      ILE   6   2.290  -9.044   3.648
   57   1HD1  ILE   6          HD11      ILE   6   3.015  -5.258   5.739
   58   2HD1  ILE   6          HD12      ILE   6   4.741  -5.466   5.460
   59   3HD1  ILE   6          HD13      ILE   6   3.971  -6.252   6.838
   60    H    CYS   7           HN       CYS   7   4.371  -4.016   3.679
   61    HA   CYS   7           HA       CYS   7   5.816  -4.527   1.202
   62   1HB   CYS   7          HB2       CYS   7   5.691  -2.404   2.669
   63   2HB   CYS   7          HB1       CYS   7   6.829  -3.218   3.743
   64    H    ILE   8           HN       ILE   8   6.524  -6.685   1.095
   65    HA   ILE   8           HA       ILE   8   7.461  -8.289   3.216
   66    HB   ILE   8           HB       ILE   8   6.883  -9.096   0.984
   67   1HG1  ILE   8          HG12      ILE   8   9.703  -9.808   0.885
   68   2HG1  ILE   8          HG11      ILE   8   9.033  -9.952   2.508
   69   1HG2  ILE   8          HG21      ILE   8   9.235  -7.386   0.243
   70   2HG2  ILE   8          HG22      ILE   8   7.600  -7.334  -0.407
   71   3HG2  ILE   8          HG23      ILE   8   8.666  -8.680  -0.812
   72   1HD1  ILE   8          HD11      ILE   8   7.726 -11.119   0.036
   73   2HD1  ILE   8          HD12      ILE   8   7.270 -11.405   1.716
   74   3HD1  ILE   8          HD13      ILE   8   8.796 -12.036   1.097
   75    H    THR   9           HN       THR   9   9.000  -5.633   1.614
   76    HA   THR   9           HA       THR   9  11.745  -6.285   2.085
   77    HB   THR   9           HB       THR   9  10.337  -3.592   1.977
   78    HG1  THR   9           HG1      THR   9  11.468  -5.061  -0.156
   79   1HG2  THR   9          HG21      THR   9  12.858  -3.646   0.645
   80   2HG2  THR   9          HG22      THR   9  13.087  -4.346   2.248
   81   3HG2  THR   9          HG23      THR   9  12.409  -2.726   2.081
   82    H    CYS  10           HN       CYS  10   9.323  -4.597   4.098
   83    HA   CYS  10           HA       CYS  10  11.277  -4.766   6.369
   84   1HB   CYS  10          HB1       CYS  10  10.318  -2.567   7.085
   85   2HB   CYS  10          HB2       CYS  10  11.083  -2.479   5.499
   86    H    GLY  11           HN       GLY  11   7.859  -4.793   5.372
   87   1HA   GLY  11          HA2       GLY  11   6.376  -6.448   6.456
   88   2HA   GLY  11          HA1       GLY  11   7.250  -6.159   7.960
   89    H    HIS  12           HN       HIS  12   6.098  -3.696   5.679
   90    HA   HIS  12           HA       HIS  12   4.478  -2.519   7.899
   91   1HB   HIS  12          HB1       HIS  12   6.395  -1.360   6.536
   92   2HB   HIS  12          HB2       HIS  12   5.183  -1.224   5.262
   93    HD1  HIS  12           HD1      HIS  12   4.810   1.303   5.448
   94    HD2  HIS  12           HD2      HIS  12   4.267  -0.688   9.070
   95    HE1  HIS  12           HE1      HIS  12   3.783   2.983   7.042
   96    H    ILE  13           HN       ILE  13   2.269  -2.645   7.739
   97    HA   ILE  13           HA       ILE  13   1.086  -3.732   5.251
   98    HB   ILE  13           HB       ILE  13   0.051  -3.157   8.052
   99   1HG1  ILE  13          HG11      ILE  13   0.052  -5.896   6.981
  100   2HG1  ILE  13          HG12      ILE  13   1.661  -5.190   7.114
  101   1HG2  ILE  13          HG21      ILE  13  -1.355  -4.574   5.763
  102   2HG2  ILE  13          HG22      ILE  13  -1.754  -2.955   6.337
  103   3HG2  ILE  13          HG23      ILE  13  -1.987  -4.347   7.394
  104   1HD1  ILE  13          HD11      ILE  13  -0.292  -4.971   9.395
  105   2HD1  ILE  13          HD12      ILE  13   1.468  -4.875   9.435
  106   3HD1  ILE  13          HD13      ILE  13   0.676  -6.431   9.183
  107    H    TYR  14           HN       TYR  14  -0.381  -2.634   3.989
  108    HA   TYR  14           HA       TYR  14  -0.691   0.303   4.498
  109   1HB   TYR  14          HB1       TYR  14   0.478  -0.235   2.441
  110   2HB   TYR  14          HB2       TYR  14  -0.717  -1.459   2.017
  111    HD1  TYR  14           HD1      TYR  14  -0.160   2.192   2.419
  112    HD2  TYR  14           HD2      TYR  14  -2.791  -0.869   0.939
  113    HE1  TYR  14           HE1      TYR  14  -1.496   3.911   1.228
  114    HE2  TYR  14           HE2      TYR  14  -4.123   0.850  -0.249
  115    HH   TYR  14           HH       TYR  14  -4.568   3.215  -0.153
  116    H    ASP  15           HN       ASP  15  -2.748   1.033   4.892
  117    HA   ASP  15           HA       ASP  15  -5.011  -0.892   4.536
  118   1HB   ASP  15          HB2       ASP  15  -4.328   0.160   6.796
  119   2HB   ASP  15          HB1       ASP  15  -4.949   1.677   6.146
  120    H    GLU  16           HN       GLU  16  -5.927  -0.494   2.532
  121    HA   GLU  16           HA       GLU  16  -5.796   1.818   0.970
  122   1HB   GLU  16          HB2       GLU  16  -7.653  -0.506   1.306
  123   2HB   GLU  16          HB1       GLU  16  -8.180   0.809   0.259
  124   1HG   GLU  16          HG2       GLU  16  -5.962   0.636  -0.936
  125   2HG   GLU  16          HG1       GLU  16  -5.635  -0.814   0.011
  126    H    ALA  17           HN       ALA  17  -7.769   1.226   3.804
  127    HA   ALA  17           HA       ALA  17  -9.468   3.601   3.295
  128   1HB   ALA  17          HB1       ALA  17  -9.368   1.892   5.786
  129   2HB   ALA  17          HB2       ALA  17 -10.121   1.287   4.310
  130   3HB   ALA  17          HB3       ALA  17 -10.753   2.736   5.092
  131    H    LEU  18           HN       LEU  18  -6.382   3.431   4.131
  132    HA   LEU  18           HA       LEU  18  -6.325   5.922   5.571
  133   1HB   LEU  18          HB1       LEU  18  -7.171   3.970   7.175
  134   2HB   LEU  18          HB2       LEU  18  -5.448   3.607   7.277
  135    HG   LEU  18           HG       LEU  18  -5.104   6.085   7.814
  136   1HD1  LEU  18          HD11      LEU  18  -8.104   5.861   7.880
  137   2HD1  LEU  18          HD12      LEU  18  -7.104   7.137   7.186
  138   3HD1  LEU  18          HD13      LEU  18  -7.281   7.008   8.936
  139   1HD2  LEU  18          HD21      LEU  18  -4.938   4.380   9.547
  140   2HD2  LEU  18          HD22      LEU  18  -6.694   4.321   9.700
  141   3HD2  LEU  18          HD23      LEU  18  -5.814   5.767  10.195
  142    H    GLY  19           HN       GLY  19  -4.902   5.482   3.417
  143   1HA   GLY  19          HA1       GLY  19  -2.420   4.066   3.741
  144   2HA   GLY  19          HA2       GLY  19  -2.761   5.255   2.488
  145    H    ASP  20           HN       ASP  20  -1.059   6.644   2.587
  146    HA   ASP  20           HA       ASP  20   0.218   7.378   5.113
  147   1HB   ASP  20          HB2       ASP  20   1.214   7.077   2.741
  148   2HB   ASP  20          HB1       ASP  20   0.543   8.670   2.392
  149    H    GLU  21           HN       GLU  21   0.200   9.489   6.046
  150    HA   GLU  21           HA       GLU  21  -2.191  11.133   5.321
  151   1HB   GLU  21          HB2       GLU  21  -1.516  10.038   7.675
  152   2HB   GLU  21          HB1       GLU  21  -0.565  11.517   7.811
  153   1HG   GLU  21          HG2       GLU  21  -2.439  12.881   7.840
  154   2HG   GLU  21          HG1       GLU  21  -3.412  11.738   6.914
  155    H    ALA  22           HN       ALA  22   1.300  11.159   5.560
  156    HA   ALA  22           HA       ALA  22   1.587  14.064   5.442
  157   1HB   ALA  22          HB1       ALA  22   3.616  13.355   6.159
  158   2HB   ALA  22          HB2       ALA  22   3.920  12.681   4.558
  159   3HB   ALA  22          HB3       ALA  22   3.174  11.685   5.808
  160    H    GLU  23           HN       GLU  23   1.883  11.373   3.102
  161    HA   GLU  23           HA       GLU  23   2.595  13.050   0.861
  162   1HB   GLU  23          HB2       GLU  23   1.470  10.261   1.229
  163   2HB   GLU  23          HB1       GLU  23   1.896  10.912  -0.350
  164   1HG   GLU  23          HG2       GLU  23   4.197  11.174   0.277
  165   2HG   GLU  23          HG1       GLU  23   3.833  10.849   1.971
  166    H    GLY  24           HN       GLY  24  -0.475  11.627   2.005
  167   1HA   GLY  24          HA2       GLY  24  -2.445  13.209   1.757
  168   2HA   GLY  24          HA1       GLY  24  -1.894  13.446   0.100
  169    H    PHE  25           HN       PHE  25  -1.818  10.280   1.672
  170    HA   PHE  25           HA       PHE  25  -3.389   9.109  -0.476
  171   1HB   PHE  25          HB2       PHE  25  -1.797   8.311   1.833
  172   2HB   PHE  25          HB1       PHE  25  -3.257   7.330   1.697
  173    HD1  PHE  25           HD1      PHE  25  -0.891   8.904  -0.758
  174    HD2  PHE  25           HD2      PHE  25  -2.876   5.332   0.560
  175    HE1  PHE  25           HE1      PHE  25   0.136   7.640  -2.632
  176    HE2  PHE  25           HE2      PHE  25  -1.848   4.069  -1.310
  177    HZ   PHE  25           HZ       PHE  25  -0.347   5.220  -2.907
  178    H    THR  26           HN       THR  26  -5.348  10.482  -0.226
  179    HA   THR  26           HA       THR  26  -6.977  10.770   2.008
  180    HB   THR  26           HB       THR  26  -7.243  11.742  -0.275
  181    HG1  THR  26           HG1      THR  26  -9.519  11.614  -0.259
  182   1HG2  THR  26          HG21      THR  26  -8.014  10.489  -2.098
  183   2HG2  THR  26          HG22      THR  26  -8.640   9.201  -1.069
  184   3HG2  THR  26          HG23      THR  26  -6.902   9.371  -1.308
  185    HA   PRO  27           HA       PRO  27  -8.398   6.764   3.141
  186   1HB   PRO  27          HB1       PRO  27 -11.015   7.409   3.867
  187   2HB   PRO  27          HB2       PRO  27  -9.601   7.595   4.919
  188   1HG   PRO  27          HG1       PRO  27 -11.057   9.626   3.315
  189   2HG   PRO  27          HG2       PRO  27 -10.271   9.783   4.892
  190   1HD   PRO  27          HD1       PRO  27  -9.185  10.732   2.594
  191   2HD   PRO  27          HD2       PRO  27  -8.205  10.169   3.964
  192    H    GLY  28           HN       GLY  28  -8.466   5.740   1.087
  193   1HA   GLY  28          HA2       GLY  28 -10.457   4.457  -0.012
  194   2HA   GLY  28          HA1       GLY  28 -10.973   6.073  -0.493
  195    H    THR  29           HN       THR  29  -7.660   4.770  -0.379
  196    HA   THR  29           HA       THR  29  -7.486   5.261  -3.336
  197    HB   THR  29           HB       THR  29  -5.135   5.280  -1.451
  198    HG1  THR  29           HG1      THR  29  -6.214   6.746  -0.374
  199   1HG2  THR  29          HG21      THR  29  -5.867   6.337  -4.137
  200   2HG2  THR  29          HG22      THR  29  -4.332   5.683  -3.565
  201   3HG2  THR  29          HG23      THR  29  -4.792   7.337  -3.160
  202    H    ARG  30           HN       ARG  30  -7.685   3.204  -4.186
  203    HA   ARG  30           HA       ARG  30  -6.637   0.831  -2.867
  204   1HB   ARG  30          HB2       ARG  30  -7.935   1.575  -5.480
  205   2HB   ARG  30          HB1       ARG  30  -7.212  -0.025  -5.314
  206   1HG   ARG  30          HG2       ARG  30  -8.595  -0.480  -3.348
  207   2HG   ARG  30          HG1       ARG  30  -9.269   1.148  -3.417
  208   1HD   ARG  30          HD2       ARG  30 -10.511   0.683  -5.365
  209   2HD   ARG  30          HD1       ARG  30  -9.481  -0.694  -5.802
  210    HE   ARG  30           HE       ARG  30 -10.786  -1.020  -3.209
  211   1HH1  ARG  30          HH22      ARG  30 -11.109  -1.403  -6.655
  212   2HH1  ARG  30          HH21      ARG  30 -12.298  -2.651  -6.515
  213   1HH2  ARG  30          HH12      ARG  30 -12.331  -2.642  -3.055
  214   2HH2  ARG  30          HH11      ARG  30 -12.986  -3.348  -4.495
  215    H    PHE  31           HN       PHE  31  -4.725  -0.267  -3.317
  216    HA   PHE  31           HA       PHE  31  -2.413   1.052  -4.218
  217   1HB   PHE  31          HB1       PHE  31  -3.127  -1.396  -3.173
  218   2HB   PHE  31          HB2       PHE  31  -2.604  -1.848  -4.795
  219    HD1  PHE  31           HD1      PHE  31  -1.465   0.711  -2.293
  220    HD2  PHE  31           HD2      PHE  31  -0.407  -2.607  -4.806
  221    HE1  PHE  31           HE1      PHE  31   0.901   0.934  -1.591
  222    HE2  PHE  31           HE2      PHE  31   1.961  -2.384  -4.104
  223    HZ   PHE  31           HZ       PHE  31   2.616  -0.613  -2.495
  224    H    GLU  32           HN       GLU  32  -4.895  -0.626  -6.082
  225    HA   GLU  32           HA       GLU  32  -3.570  -1.080  -8.523
  226   1HB   GLU  32          HB1       GLU  32  -5.833  -1.828  -7.988
  227   2HB   GLU  32          HB2       GLU  32  -6.399  -0.160  -7.910
  228   1HG   GLU  32          HG1       GLU  32  -5.600   0.056 -10.342
  229   2HG   GLU  32          HG2       GLU  32  -5.468  -1.702 -10.339
  230    H    ASP  33           HN       ASP  33  -5.362   1.860  -7.524
  231    HA   ASP  33           HA       ASP  33  -4.581   3.353  -9.891
  232   1HB   ASP  33          HB1       ASP  33  -6.564   3.518  -8.087
  233   2HB   ASP  33          HB2       ASP  33  -5.446   4.661  -7.343
  234    H    ILE  34           HN       ILE  34  -2.779   2.415  -7.211
  235    HA   ILE  34           HA       ILE  34  -1.169   4.926  -7.167
  236    HB   ILE  34           HB       ILE  34  -1.308   2.456  -5.399
  237   1HG1  ILE  34          HG12      ILE  34  -1.962   5.269  -4.577
  238   2HG1  ILE  34          HG11      ILE  34  -3.156   4.327  -5.469
  239   1HG2  ILE  34          HG21      ILE  34   0.255   3.553  -3.925
  240   2HG2  ILE  34          HG22      ILE  34   0.245   5.012  -4.915
  241   3HG2  ILE  34          HG23      ILE  34   0.978   3.532  -5.533
  242   1HD1  ILE  34          HD11      ILE  34  -1.778   3.144  -3.068
  243   2HD1  ILE  34          HD12      ILE  34  -3.336   2.716  -3.772
  244   3HD1  ILE  34          HD13      ILE  34  -3.165   4.214  -2.859
  245    HA   PRO  35           HA       PRO  35   1.286   2.218  -9.966
  246   1HB   PRO  35          HB1       PRO  35   2.688   4.400 -11.002
  247   2HB   PRO  35          HB2       PRO  35   1.210   3.721 -11.705
  248   1HG   PRO  35          HG2       PRO  35   1.570   6.116  -9.985
  249   2HG   PRO  35          HG1       PRO  35   0.439   5.841 -11.317
  250   1HD   PRO  35          HD2       PRO  35  -0.303   5.762  -8.712
  251   2HD   PRO  35          HD1       PRO  35  -1.090   4.781  -9.968
  252    H    ASP  36           HN       ASP  36   3.936   2.978 -10.406
  253    HA   ASP  36           HA       ASP  36   5.176   2.338  -7.881
  254   1HB   ASP  36          HB2       ASP  36   6.200   3.332 -10.564
  255   2HB   ASP  36          HB1       ASP  36   7.256   2.774  -9.266
  256    H    ASP  37           HN       ASP  37   4.195   5.337  -9.299
  257    HA   ASP  37           HA       ASP  37   6.074   7.206  -8.423
  258   1HB   ASP  37          HB2       ASP  37   3.988   7.624  -9.729
  259   2HB   ASP  37          HB1       ASP  37   3.041   7.367  -8.263
  260    H    TRP  38           HN       TRP  38   3.768   5.369  -6.489
  261    HA   TRP  38           HA       TRP  38   4.332   6.962  -4.061
  262   1HB   TRP  38          HB1       TRP  38   2.066   6.135  -4.557
  263   2HB   TRP  38          HB2       TRP  38   2.668   4.479  -4.629
  264    HD1  TRP  38           HD1      TRP  38   2.149   7.360  -2.143
  265    HE1  TRP  38           HE1      TRP  38   2.024   6.375   0.236
  266    HE3  TRP  38           HE3      TRP  38   3.249   2.476  -3.150
  267    HZ2  TRP  38           HZ2      TRP  38   2.349   3.850   1.540
  268    HZ3  TRP  38           HZ3      TRP  38   3.333   0.804  -1.323
  269    HH2  TRP  38           HH2      TRP  38   2.886   1.484   1.019
  270    H    CYS  39           HN       CYS  39   5.651   6.238  -2.376
  271    HA   CYS  39           HA       CYS  39   7.049   3.616  -2.803
  272   1HB   CYS  39          HB1       CYS  39   7.997   6.287  -1.708
  273   2HB   CYS  39          HB2       CYS  39   8.967   4.815  -1.661
  274    HG   CYS  39           HG       CYS  39   8.400   4.918  -4.441
  275    H    CYS  40           HN       CYS  40   8.300   3.299  -0.425
  276    HA   CYS  40           HA       CYS  40   6.060   2.826   1.435
  277   1HB   CYS  40          HB1       CYS  40   8.213   1.385   0.702
  278   2HB   CYS  40          HB2       CYS  40   8.918   2.228   2.080
  279    HA   PRO  41           HA       PRO  41   7.053   6.512   3.717
  280   1HB   PRO  41          HB2       PRO  41   5.585   5.952   5.979
  281   2HB   PRO  41          HB1       PRO  41   4.862   6.541   4.471
  282   1HG   PRO  41          HG2       PRO  41   4.975   3.781   5.575
  283   2HG   PRO  41          HG1       PRO  41   3.679   4.587   4.681
  284   1HD   PRO  41          HD1       PRO  41   5.401   2.773   3.574
  285   2HD   PRO  41          HD2       PRO  41   4.579   4.047   2.651
  286    H    ASP  42           HN       ASP  42   7.802   3.286   4.681
  287    HA   ASP  42           HA       ASP  42   9.443   4.267   6.981
  288   1HB   ASP  42          HB1       ASP  42   7.602   2.266   6.805
  289   2HB   ASP  42          HB2       ASP  42   9.072   1.368   6.427
  290    H    CYS  43           HN       CYS  43   9.625   2.736   3.821
  291    HA   CYS  43           HA       CYS  43  12.568   2.325   4.210
  292   1HB   CYS  43          HB1       CYS  43  10.508   1.145   2.313
  293   2HB   CYS  43          HB2       CYS  43  12.234   0.805   2.207
  294    H    GLY  44           HN       GLY  44  10.592   2.783   1.283
  295   1HA   GLY  44          HA2       GLY  44  10.695   5.045   0.147
  296   2HA   GLY  44          HA1       GLY  44  12.413   5.034   0.547
  297    H    ALA  45           HN       ALA  45  10.571   2.226  -0.570
  298    HA   ALA  45           HA       ALA  45  12.373   2.126  -2.960
  299   1HB   ALA  45          HB1       ALA  45  11.775   0.315  -0.922
  300   2HB   ALA  45          HB2       ALA  45  12.551  -0.088  -2.454
  301   3HB   ALA  45          HB3       ALA  45  10.805  -0.258  -2.278
  302    H    THR  46           HN       THR  46  11.023   0.465  -4.615
  303    HA   THR  46           HA       THR  46   8.867   2.149  -5.640
  304    HB   THR  46           HB       THR  46   8.840   0.025  -7.245
  305    HG1  THR  46           HG1      THR  46  10.548  -1.261  -7.023
  306   1HG2  THR  46          HG21      THR  46  10.128   2.461  -7.249
  307   2HG2  THR  46          HG22      THR  46  10.126   1.319  -8.593
  308   3HG2  THR  46          HG23      THR  46  11.467   1.331  -7.448
  309    H    LYS  47           HN       LYS  47   7.018   0.384  -6.628
  310    HA   LYS  47           HA       LYS  47   5.501  -0.342  -4.219
  311   1HB   LYS  47          HB2       LYS  47   4.498   0.782  -6.183
  312   2HB   LYS  47          HB1       LYS  47   4.947  -0.587  -7.200
  313   1HG   LYS  47          HG1       LYS  47   3.384  -1.225  -4.754
  314   2HG   LYS  47          HG2       LYS  47   2.520  -0.365  -6.029
  315   1HD   LYS  47          HD1       LYS  47   3.977  -2.313  -7.395
  316   2HD   LYS  47          HD2       LYS  47   3.407  -3.143  -5.947
  317   1HE   LYS  47          HE2       LYS  47   1.094  -2.125  -6.480
  318   2HE   LYS  47          HE1       LYS  47   1.764  -1.764  -8.083
  319   1HZ   LYS  47          HZ1       LYS  47   0.696  -4.014  -7.855
  320   2HZ   LYS  47          HZ2       LYS  47   1.956  -4.435  -6.796
  321   3HZ   LYS  47          HZ3       LYS  47   2.301  -4.037  -8.410
  322    H    GLU  48           HN       GLU  48   7.607  -1.953  -6.440
  323    HA   GLU  48           HA       GLU  48   6.530  -4.573  -6.508
  324   1HB   GLU  48          HB1       GLU  48   9.381  -3.521  -6.436
  325   2HB   GLU  48          HB2       GLU  48   8.954  -5.170  -6.895
  326   1HG   GLU  48          HG2       GLU  48   7.427  -3.060  -8.293
  327   2HG   GLU  48          HG1       GLU  48   9.151  -3.093  -8.663
  328    H    ASP  49           HN       ASP  49   8.064  -2.836  -3.902
  329    HA   ASP  49           HA       ASP  49   8.839  -5.163  -2.334
  330   1HB   ASP  49          HB1       ASP  49   8.372  -2.225  -1.705
  331   2HB   ASP  49          HB2       ASP  49   9.115  -3.367  -0.585
  332    H    TYR  50           HN       TYR  50   5.861  -3.470  -2.875
  333    HA   TYR  50           HA       TYR  50   4.646  -4.449  -0.353
  334   1HB   TYR  50          HB1       TYR  50   4.173  -2.415  -2.452
  335   2HB   TYR  50          HB2       TYR  50   2.709  -3.159  -1.813
  336    HD1  TYR  50           HD1      TYR  50   5.272  -0.728  -1.244
  337    HD2  TYR  50           HD2      TYR  50   2.461  -3.283   0.756
  338    HE1  TYR  50           HE1      TYR  50   5.448   0.675   0.791
  339    HE2  TYR  50           HE2      TYR  50   2.637  -1.881   2.796
  340    HH   TYR  50           HH       TYR  50   4.036  -0.299   3.823
  341    H    VAL  51           HN       VAL  51   3.273  -6.193  -0.297
  342    HA   VAL  51           HA       VAL  51   2.343  -7.329  -2.915
  343    HB   VAL  51           HB       VAL  51   2.671  -9.553  -1.835
  344   1HG1  VAL  51          HG11      VAL  51   4.741  -9.485  -2.714
  345   2HG1  VAL  51          HG12      VAL  51   5.331  -8.609  -1.302
  346   3HG1  VAL  51          HG13      VAL  51   4.679  -7.723  -2.680
  347   1HG2  VAL  51          HG21      VAL  51   3.594  -9.780   0.335
  348   2HG2  VAL  51          HG22      VAL  51   2.370  -8.524   0.512
  349   3HG2  VAL  51          HG23      VAL  51   4.074  -8.085   0.398
  350    H    LEU  52           HN       LEU  52   0.387  -8.844  -2.501
  351    HA   LEU  52           HA       LEU  52  -1.598  -7.347  -0.938
  352   1HB   LEU  52          HB2       LEU  52  -1.630  -8.610  -3.292
  353   2HB   LEU  52          HB1       LEU  52  -2.128  -9.963  -2.278
  354    HG   LEU  52           HG       LEU  52  -3.463  -7.375  -1.721
  355   1HD1  LEU  52          HD21      LEU  52  -3.956  -8.950  -4.262
  356   2HD1  LEU  52          HD22      LEU  52  -3.404  -7.279  -4.151
  357   3HD1  LEU  52          HD23      LEU  52  -5.035  -7.705  -3.634
  358   1HD2  LEU  52          HD11      LEU  52  -5.363  -8.819  -1.359
  359   2HD2  LEU  52          HD12      LEU  52  -3.957  -9.589  -0.622
  360   3HD2  LEU  52          HD13      LEU  52  -4.562 -10.160  -2.178
  361    H    TYR  53           HN       TYR  53  -2.268  -7.902   1.095
  362    HA   TYR  53           HA       TYR  53  -1.110 -10.262   2.419
  363   1HB   TYR  53          HB2       TYR  53  -1.557  -7.806   3.271
  364   2HB   TYR  53          HB1       TYR  53  -3.188  -8.406   3.570
  365    HD1  TYR  53           HD1      TYR  53   0.284  -8.466   4.648
  366    HD2  TYR  53           HD2      TYR  53  -3.540 -10.358   5.106
  367    HE1  TYR  53           HE1      TYR  53   1.068  -9.532   6.744
  368    HE2  TYR  53           HE2      TYR  53  -2.759 -11.429   7.202
  369    HH   TYR  53           HH       TYR  53   0.423 -11.662   8.070
  370    H    GLU  54           HN       GLU  54  -2.125 -12.207   2.070
  371    HA   GLU  54           HA       GLU  54  -3.858 -13.798   1.863
  372   1HB   GLU  54          HB2       GLU  54  -4.748 -11.673   3.768
  373   2HB   GLU  54          HB1       GLU  54  -5.970 -12.824   3.228
  374   1HG   GLU  54          HG1       GLU  54  -4.199 -14.637   3.805
  375   2HG   GLU  54          HG2       GLU  54  -3.414 -13.360   4.734
  376    H    GLU  55           HN       GLU  55  -6.254 -13.988   1.109
  377    HA   GLU  55           HA       GLU  55  -7.717 -13.675  -0.721
  378   1HB   GLU  55          HB2       GLU  55  -7.980 -11.801   1.140
  379   2HB   GLU  55          HB1       GLU  55  -7.424 -10.742  -0.158
  380   1HG   GLU  55          HG2       GLU  55  -9.255 -12.121  -1.542
  381   2HG   GLU  55          HG1       GLU  55  -9.960 -12.303   0.064
  382    H    LYS  56           HN       LYS  56  -5.312 -14.083  -1.853
  383    HA   LYS  56           HA       LYS  56  -4.618 -11.766  -3.575
  384   1HB   LYS  56          HB1       LYS  56  -3.172 -13.707  -2.297
  385   2HB   LYS  56          HB2       LYS  56  -3.308 -14.409  -3.910
  386   1HG   LYS  56          HG2       LYS  56  -2.724 -11.720  -4.386
  387   2HG   LYS  56          HG1       LYS  56  -1.706 -12.143  -3.009
  388   1HD   LYS  56          HD2       LYS  56  -1.845 -14.088  -5.272
  389   2HD   LYS  56          HD1       LYS  56  -0.924 -12.606  -5.526
  390   1HE   LYS  56          HE1       LYS  56  -0.149 -13.459  -2.972
  391   2HE   LYS  56          HE2       LYS  56  -0.220 -14.945  -3.937
  392   1HZ   LYS  56          HZ1       LYS  56   1.908 -13.588  -4.098
  393   2HZ   LYS  56          HZ2       LYS  56   0.999 -12.445  -4.965
  394   3HZ   LYS  56          HZ3       LYS  56   1.176 -14.023  -5.568
  Start of MODEL    2
    1    H    ALA   1           HT1      ALA   1 -15.281  -1.433   1.452
    2    HA   ALA   1           HA       ALA   1 -14.290  -4.206   1.013
    3   1HB   ALA   1          HB1       ALA   1 -16.402  -3.560  -0.113
    4   2HB   ALA   1          HB2       ALA   1 -15.093  -3.697  -1.287
    5   3HB   ALA   1          HB3       ALA   1 -15.624  -2.106  -0.740
    6    H    TYR   2           HN       TYR   2 -12.080  -3.669   1.522
    7    HA   TYR   2           HA       TYR   2 -10.765  -1.985  -0.550
    8   1HB   TYR   2          HB2       TYR   2 -10.862  -1.564   2.428
    9   2HB   TYR   2          HB1       TYR   2  -9.422  -1.068   1.540
   10    HD1  TYR   2           HD1      TYR   2 -10.010   0.190  -0.783
   11    HD2  TYR   2           HD2      TYR   2 -12.533   0.036   2.690
   12    HE1  TYR   2           HE1      TYR   2 -11.184   2.238  -1.546
   13    HE2  TYR   2           HE2      TYR   2 -13.707   2.084   1.927
   14    HH   TYR   2           HH       TYR   2 -12.648   4.192  -0.022
   15    H    LEU   3           HN       LEU   3  -8.815  -2.854  -1.170
   16    HA   LEU   3           HA       LEU   3  -8.036  -5.465  -0.152
   17   1HB   LEU   3          HB1       LEU   3  -7.459  -3.626  -2.352
   18   2HB   LEU   3          HB2       LEU   3  -5.998  -4.421  -1.769
   19    HG   LEU   3           HG       LEU   3  -7.304  -6.613  -1.895
   20   1HD1  LEU   3          HD11      LEU   3  -9.485  -5.074  -2.172
   21   2HD1  LEU   3          HD12      LEU   3  -9.393  -6.693  -2.864
   22   3HD1  LEU   3          HD13      LEU   3  -9.091  -5.282  -3.878
   23   1HD2  LEU   3          HD21      LEU   3  -5.966  -5.090  -3.896
   24   2HD2  LEU   3          HD22      LEU   3  -7.326  -5.900  -4.674
   25   3HD2  LEU   3          HD23      LEU   3  -6.123  -6.845  -3.797
   26    H    LYS   4           HN       LYS   4  -5.809  -5.912   0.653
   27    HA   LYS   4           HA       LYS   4  -4.573  -3.594   2.093
   28   1HB   LYS   4          HB1       LYS   4  -5.756  -6.141   3.071
   29   2HB   LYS   4          HB2       LYS   4  -4.227  -5.679   3.816
   30   1HG   LYS   4          HG1       LYS   4  -5.272  -3.358   4.147
   31   2HG   LYS   4          HG2       LYS   4  -6.813  -4.115   3.744
   32   1HD   LYS   4          HD1       LYS   4  -5.019  -5.294   5.862
   33   2HD   LYS   4          HD2       LYS   4  -6.137  -3.987   6.250
   34   1HE   LYS   4          HE2       LYS   4  -7.670  -5.804   4.749
   35   2HE   LYS   4          HE1       LYS   4  -6.709  -6.810   5.850
   36   1HZ   LYS   4          HZ1       LYS   4  -8.813  -5.892   6.831
   37   2HZ   LYS   4          HZ2       LYS   4  -8.133  -4.341   6.697
   38   3HZ   LYS   4          HZ3       LYS   4  -7.403  -5.506   7.696
   39    H    TRP   5           HN       TRP   5  -2.349  -3.568   1.910
   40    HA   TRP   5           HA       TRP   5  -1.037  -5.969   0.669
   41   1HB   TRP   5          HB2       TRP   5  -0.229  -3.039   0.599
   42   2HB   TRP   5          HB1       TRP   5   0.486  -4.343  -0.341
   43    HD1  TRP   5           HD1      TRP   5  -3.010  -2.742   0.123
   44    HE1  TRP   5           HE1      TRP   5  -4.183  -2.717  -2.166
   45    HE3  TRP   5           HE3      TRP   5   0.529  -5.103  -2.697
   46    HZ2  TRP   5           HZ2      TRP   5  -3.689  -3.591  -4.849
   47    HZ3  TRP   5           HZ3      TRP   5   0.153  -5.495  -5.115
   48    HH2  TRP   5           HH2      TRP   5  -1.948  -4.743  -6.193
   49    H    ILE   6           HN       ILE   6   1.494  -5.703   1.151
   50    HA   ILE   6           HA       ILE   6   2.118  -4.668   3.810
   51    HB   ILE   6           HB       ILE   6   0.826  -6.825   4.096
   52   1HG1  ILE   6          HG11      ILE   6   2.309  -5.876   5.838
   53   2HG1  ILE   6          HG12      ILE   6   2.247  -7.635   5.888
   54   1HG2  ILE   6          HG21      ILE   6   1.990  -8.930   3.686
   55   2HG2  ILE   6          HG22      ILE   6   3.388  -8.058   3.056
   56   3HG2  ILE   6          HG23      ILE   6   1.859  -8.024   2.178
   57   1HD1  ILE   6          HD11      ILE   6   4.347  -7.248   4.187
   58   2HD1  ILE   6          HD12      ILE   6   4.517  -7.467   5.927
   59   3HD1  ILE   6          HD13      ILE   6   4.504  -5.843   5.238
   60    H    CYS   7           HN       CYS   7   4.198  -3.972   3.657
   61    HA   CYS   7           HA       CYS   7   5.875  -4.600   1.395
   62   1HB   CYS   7          HB2       CYS   7   5.795  -2.491   2.821
   63   2HB   CYS   7          HB1       CYS   7   6.630  -3.397   4.081
   64    H    ILE   8           HN       ILE   8   6.435  -6.809   1.294
   65    HA   ILE   8           HA       ILE   8   7.095  -8.520   3.430
   66    HB   ILE   8           HB       ILE   8   6.732  -9.339   1.194
   67   1HG1  ILE   8          HG11      ILE   8   9.627  -9.881   1.234
   68   2HG1  ILE   8          HG12      ILE   8   8.822 -10.178   2.774
   69   1HG2  ILE   8          HG21      ILE   8   8.604  -7.199   0.584
   70   2HG2  ILE   8          HG22      ILE   8   7.401  -7.959  -0.451
   71   3HG2  ILE   8          HG23      ILE   8   8.994  -8.692  -0.267
   72   1HD1  ILE   8          HD11      ILE   8   7.363 -11.777   1.835
   73   2HD1  ILE   8          HD12      ILE   8   8.895 -12.109   1.028
   74   3HD1  ILE   8          HD13      ILE   8   7.640 -11.194   0.194
   75    H    THR   9           HN       THR   9   8.907  -5.899   2.058
   76    HA   THR   9           HA       THR   9  11.498  -6.768   3.093
   77    HB   THR   9           HB       THR   9  10.360  -4.204   1.918
   78    HG1  THR   9           HG1      THR   9  12.173  -6.119   0.880
   79   1HG2  THR   9          HG21      THR   9  13.128  -4.876   2.899
   80   2HG2  THR   9          HG22      THR   9  12.187  -3.409   3.167
   81   3HG2  THR   9          HG23      THR   9  12.897  -3.724   1.584
   82    H    CYS  10           HN       CYS  10   8.818  -4.760   4.194
   83    HA   CYS  10           HA       CYS  10  10.397  -3.989   6.611
   84   1HB   CYS  10          HB2       CYS  10   8.246  -2.797   4.961
   85   2HB   CYS  10          HB1       CYS  10   8.206  -2.431   6.681
   86    H    GLY  11           HN       GLY  11   7.056  -4.919   5.687
   87   1HA   GLY  11          HA2       GLY  11   6.101  -6.907   6.888
   88   2HA   GLY  11          HA1       GLY  11   6.844  -6.264   8.352
   89    H    HIS  12           HN       HIS  12   5.911  -3.505   7.002
   90    HA   HIS  12           HA       HIS  12   3.522  -3.268   8.650
   91   1HB   HIS  12          HB1       HIS  12   5.264  -1.497   8.166
   92   2HB   HIS  12          HB2       HIS  12   4.650  -1.422   6.515
   93    HD1  HIS  12           HD1      HIS  12   2.170  -1.990   9.226
   94    HD2  HIS  12           HD2      HIS  12   3.670   1.248   7.071
   95    HE1  HIS  12           HE1      HIS  12   0.605  -0.049   9.667
   96    H    ILE  13           HN       ILE  13   1.392  -3.327   7.985
   97    HA   ILE  13           HA       ILE  13   0.876  -4.234   5.201
   98    HB   ILE  13           HB       ILE  13  -0.832  -4.096   7.715
   99   1HG1  ILE  13          HG12      ILE  13   0.227  -6.588   6.400
  100   2HG1  ILE  13          HG11      ILE  13   1.236  -5.685   7.528
  101   1HG2  ILE  13          HG21      ILE  13  -1.426  -5.767   5.283
  102   2HG2  ILE  13          HG22      ILE  13  -1.939  -4.081   5.338
  103   3HG2  ILE  13          HG23      ILE  13  -2.526  -5.221   6.548
  104   1HD1  ILE  13          HD11      ILE  13  -1.164  -7.333   8.044
  105   2HD1  ILE  13          HD12      ILE  13  -1.119  -5.798   8.911
  106   3HD1  ILE  13          HD13      ILE  13   0.193  -6.958   9.107
  107    H    TYR  14           HN       TYR  14  -0.247  -2.981   3.744
  108    HA   TYR  14           HA       TYR  14  -0.887  -0.190   4.516
  109   1HB   TYR  14          HB1       TYR  14   0.424  -0.628   2.496
  110   2HB   TYR  14          HB2       TYR  14  -0.814  -1.728   1.893
  111    HD1  TYR  14           HD1      TYR  14  -2.654  -0.919   0.634
  112    HD2  TYR  14           HD2      TYR  14  -0.213   1.824   2.869
  113    HE1  TYR  14           HE1      TYR  14  -3.831   0.990  -0.420
  114    HE2  TYR  14           HE2      TYR  14  -1.394   3.733   1.812
  115    HH   TYR  14           HH       TYR  14  -4.254   3.277  -0.122
  116    H    ASP  15           HN       ASP  15  -2.969   0.600   4.601
  117    HA   ASP  15           HA       ASP  15  -5.191  -1.350   4.101
  118   1HB   ASP  15          HB2       ASP  15  -4.625  -0.352   6.435
  119   2HB   ASP  15          HB1       ASP  15  -5.284   1.154   5.799
  120    H    GLU  16           HN       GLU  16  -6.010  -0.874   2.075
  121    HA   GLU  16           HA       GLU  16  -5.807   1.502   0.615
  122   1HB   GLU  16          HB2       GLU  16  -7.644  -0.851   0.754
  123   2HB   GLU  16          HB1       GLU  16  -8.164   0.510  -0.236
  124   1HG   GLU  16          HG1       GLU  16  -5.725   0.403  -1.192
  125   2HG   GLU  16          HG2       GLU  16  -5.740  -1.239  -0.551
  126    H    ALA  17           HN       ALA  17  -7.921   0.785   3.315
  127    HA   ALA  17           HA       ALA  17  -9.641   3.137   2.797
  128   1HB   ALA  17          HB1       ALA  17 -11.051   2.089   4.298
  129   2HB   ALA  17          HB2       ALA  17  -9.724   1.592   5.347
  130   3HB   ALA  17          HB3       ALA  17 -10.068   0.687   3.874
  131    H    LEU  18           HN       LEU  18  -6.603   3.111   3.675
  132    HA   LEU  18           HA       LEU  18  -6.693   5.532   5.223
  133   1HB   LEU  18          HB1       LEU  18  -7.360   3.345   6.697
  134   2HB   LEU  18          HB2       LEU  18  -5.608   3.327   6.903
  135    HG   LEU  18           HG       LEU  18  -7.102   5.910   7.240
  136   1HD1  LEU  18          HD21      LEU  18  -8.106   3.901   8.612
  137   2HD1  LEU  18          HD22      LEU  18  -7.778   5.433   9.423
  138   3HD1  LEU  18          HD23      LEU  18  -6.648   4.089   9.586
  139   1HD2  LEU  18          HD11      LEU  18  -4.816   4.915   8.906
  140   2HD2  LEU  18          HD12      LEU  18  -5.203   6.564   8.416
  141   3HD2  LEU  18          HD13      LEU  18  -4.499   5.441   7.253
  142    H    GLY  19           HN       GLY  19  -5.208   5.490   3.168
  143   1HA   GLY  19          HA1       GLY  19  -2.704   4.084   3.280
  144   2HA   GLY  19          HA2       GLY  19  -3.055   5.462   2.240
  145    H    ASP  20           HN       ASP  20  -1.307   6.774   2.590
  146    HA   ASP  20           HA       ASP  20  -0.218   7.170   5.296
  147   1HB   ASP  20          HB2       ASP  20   1.097   6.941   3.143
  148   2HB   ASP  20          HB1       ASP  20   0.449   8.505   2.648
  149    H    GLU  21           HN       GLU  21  -0.232   9.194   6.398
  150    HA   GLU  21           HA       GLU  21  -2.475  10.999   5.636
  151   1HB   GLU  21          HB1       GLU  21  -0.840  10.419   8.113
  152   2HB   GLU  21          HB2       GLU  21  -1.851  11.861   8.025
  153   1HG   GLU  21          HG2       GLU  21  -3.790  10.370   7.417
  154   2HG   GLU  21          HG1       GLU  21  -2.753   8.981   7.738
  155    H    ALA  22           HN       ALA  22   1.028  10.947   6.064
  156    HA   ALA  22           HA       ALA  22   1.390  13.829   5.891
  157   1HB   ALA  22          HB1       ALA  22   3.068  11.333   5.802
  158   2HB   ALA  22          HB2       ALA  22   3.130  12.671   6.950
  159   3HB   ALA  22          HB3       ALA  22   3.799  12.866   5.330
  160    H    GLU  23           HN       GLU  23   1.747  11.114   3.581
  161    HA   GLU  23           HA       GLU  23   2.614  12.675   1.350
  162   1HB   GLU  23          HB2       GLU  23   1.135  10.049   1.683
  163   2HB   GLU  23          HB1       GLU  23   1.731  10.624   0.130
  164   1HG   GLU  23          HG1       GLU  23   3.573  10.476   2.504
  165   2HG   GLU  23          HG2       GLU  23   3.258   9.043   1.525
  166    H    GLY  24           HN       GLY  24  -0.626  11.743   2.501
  167   1HA   GLY  24          HA2       GLY  24  -2.428  13.444   2.150
  168   2HA   GLY  24          HA1       GLY  24  -1.755  13.702   0.541
  169    H    PHE  25           HN       PHE  25  -1.893  10.450   1.785
  170    HA   PHE  25           HA       PHE  25  -3.466   9.523  -0.437
  171   1HB   PHE  25          HB2       PHE  25  -2.113   8.502   1.942
  172   2HB   PHE  25          HB1       PHE  25  -3.609   7.626   1.616
  173    HD1  PHE  25           HD1      PHE  25  -0.919   9.191  -0.473
  174    HD2  PHE  25           HD2      PHE  25  -3.288   5.707   0.335
  175    HE1  PHE  25           HE1      PHE  25   0.196   8.001  -2.346
  176    HE2  PHE  25           HE2      PHE  25  -2.179   4.515  -1.533
  177    HZ   PHE  25           HZ       PHE  25  -0.435   5.659  -2.877
  178    H    THR  26           HN       THR  26  -5.359  10.962  -0.289
  179    HA   THR  26           HA       THR  26  -7.108  11.314   1.844
  180    HB   THR  26           HB       THR  26  -7.160  12.333  -0.439
  181    HG1  THR  26           HG1      THR  26  -8.986  12.574   0.802
  182   1HG2  THR  26          HG21      THR  26  -7.093   9.761  -1.334
  183   2HG2  THR  26          HG22      THR  26  -7.604  11.131  -2.320
  184   3HG2  THR  26          HG23      THR  26  -8.808  10.128  -1.512
  185    HA   PRO  27           HA       PRO  27  -8.872   7.432   2.889
  186   1HB   PRO  27          HB2       PRO  27 -11.539   8.750   2.915
  187   2HB   PRO  27          HB1       PRO  27 -10.686   7.920   4.228
  188   1HG   PRO  27          HG2       PRO  27 -10.950  10.593   4.141
  189   2HG   PRO  27          HG1       PRO  27  -9.533   9.798   4.839
  190   1HD   PRO  27          HD1       PRO  27  -9.822  11.214   2.242
  191   2HD   PRO  27          HD2       PRO  27  -8.410  11.082   3.311
  192    H    GLY  28           HN       GLY  28  -8.876   6.083   1.096
  193   1HA   GLY  28          HA2       GLY  28 -10.657   4.917  -0.311
  194   2HA   GLY  28          HA1       GLY  28 -11.029   6.524  -0.935
  195    H    THR  29           HN       THR  29  -7.805   5.191  -0.268
  196    HA   THR  29           HA       THR  29  -7.148   5.613  -3.159
  197    HB   THR  29           HB       THR  29  -5.336   5.408  -0.727
  198    HG1  THR  29           HG1      THR  29  -6.629   7.188  -0.472
  199   1HG2  THR  29          HG21      THR  29  -4.946   6.320  -3.587
  200   2HG2  THR  29          HG22      THR  29  -4.103   5.018  -2.746
  201   3HG2  THR  29          HG23      THR  29  -3.801   6.698  -2.301
  202    H    ARG  30           HN       ARG  30  -6.498   3.861  -4.357
  203    HA   ARG  30           HA       ARG  30  -6.069   1.271  -2.902
  204   1HB   ARG  30          HB2       ARG  30  -7.206   1.889  -5.656
  205   2HB   ARG  30          HB1       ARG  30  -7.021   0.270  -4.983
  206   1HG   ARG  30          HG1       ARG  30  -8.626   0.684  -3.275
  207   2HG   ARG  30          HG2       ARG  30  -8.589   2.424  -3.558
  208   1HD   ARG  30          HD1       ARG  30  -9.782   2.224  -5.611
  209   2HD   ARG  30          HD2       ARG  30  -9.487   0.477  -5.699
  210    HE   ARG  30           HE       ARG  30 -10.795   0.795  -3.280
  211   1HH1  ARG  30          HH22      ARG  30 -11.464   1.738  -6.564
  212   2HH1  ARG  30          HH21      ARG  30 -13.178   1.664  -6.352
  213   1HH2  ARG  30          HH11      ARG  30 -13.023   0.706  -3.030
  214   2HH2  ARG  30          HH12      ARG  30 -14.056   1.084  -4.368
  215    H    PHE  31           HN       PHE  31  -4.228   0.087  -3.453
  216    HA   PHE  31           HA       PHE  31  -1.909   1.270  -4.461
  217   1HB   PHE  31          HB1       PHE  31  -2.800  -1.232  -3.570
  218   2HB   PHE  31          HB2       PHE  31  -2.177  -1.556  -5.186
  219    HD1  PHE  31           HD1      PHE  31   0.158  -1.577  -5.621
  220    HD2  PHE  31           HD2      PHE  31  -1.320  -0.009  -1.906
  221    HE1  PHE  31           HE1      PHE  31   2.477  -1.458  -4.748
  222    HE2  PHE  31           HE2      PHE  31   0.998   0.111  -1.033
  223    HZ   PHE  31           HZ       PHE  31   2.895  -0.616  -2.454
  224    H    GLU  32           HN       GLU  32  -4.474  -0.378  -6.297
  225    HA   GLU  32           HA       GLU  32  -3.193  -0.551  -8.818
  226   1HB   GLU  32          HB1       GLU  32  -5.336  -1.588  -8.248
  227   2HB   GLU  32          HB2       GLU  32  -6.081  -0.003  -8.051
  228   1HG   GLU  32          HG1       GLU  32  -5.310   0.400 -10.512
  229   2HG   GLU  32          HG2       GLU  32  -5.156  -1.356 -10.581
  230    H    ASP  33           HN       ASP  33  -4.805   2.175  -7.230
  231    HA   ASP  33           HA       ASP  33  -4.508   3.899  -9.606
  232   1HB   ASP  33          HB2       ASP  33  -5.550   4.218  -6.775
  233   2HB   ASP  33          HB1       ASP  33  -5.487   5.565  -7.911
  234    H    ILE  34           HN       ILE  34  -2.780   3.171  -6.656
  235    HA   ILE  34           HA       ILE  34  -1.290   5.562  -6.292
  236    HB   ILE  34           HB       ILE  34  -0.644   2.626  -5.854
  237   1HG1  ILE  34          HG12      ILE  34  -1.737   4.829  -4.085
  238   2HG1  ILE  34          HG11      ILE  34  -2.570   3.365  -4.591
  239   1HG2  ILE  34          HG21      ILE  34   1.418   4.028  -5.954
  240   2HG2  ILE  34          HG22      ILE  34   1.124   3.380  -4.341
  241   3HG2  ILE  34          HG23      ILE  34   0.744   5.065  -4.697
  242   1HD1  ILE  34          HD11      ILE  34  -1.866   2.587  -2.557
  243   2HD1  ILE  34          HD12      ILE  34  -0.532   3.736  -2.463
  244   3HD1  ILE  34          HD13      ILE  34  -0.368   2.273  -3.433
  245    HA   PRO  35           HA       PRO  35   0.769   5.283 -10.317
  246   1HB   PRO  35          HB2       PRO  35   2.110   7.752  -9.368
  247   2HB   PRO  35          HB1       PRO  35   1.144   7.494 -10.832
  248   1HG   PRO  35          HG1       PRO  35   0.249   8.922  -8.736
  249   2HG   PRO  35          HG2       PRO  35  -0.824   7.972  -9.774
  250   1HD   PRO  35          HD1       PRO  35   0.169   7.382  -7.029
  251   2HD   PRO  35          HD2       PRO  35  -1.399   7.007  -7.772
  252    H    ASP  36           HN       ASP  36   3.401   6.239 -10.557
  253    HA   ASP  36           HA       ASP  36   4.862   4.213  -8.972
  254   1HB   ASP  36          HB1       ASP  36   5.271   5.908 -11.410
  255   2HB   ASP  36          HB2       ASP  36   6.710   5.328 -10.570
  256    H    ASP  37           HN       ASP  37   4.447   7.690  -9.119
  257    HA   ASP  37           HA       ASP  37   6.794   8.613  -7.851
  258   1HB   ASP  37          HB2       ASP  37   3.893   9.447  -7.896
  259   2HB   ASP  37          HB1       ASP  37   5.072  10.377  -6.971
  260    H    TRP  38           HN       TRP  38   3.967   6.999  -6.486
  261    HA   TRP  38           HA       TRP  38   4.623   7.586  -3.712
  262   1HB   TRP  38          HB1       TRP  38   2.344   7.120  -4.457
  263   2HB   TRP  38          HB2       TRP  38   2.836   5.555  -5.102
  264    HD1  TRP  38           HD1      TRP  38   2.112   7.364  -1.828
  265    HE1  TRP  38           HE1      TRP  38   1.935   5.624   0.067
  266    HE3  TRP  38           HE3      TRP  38   3.619   3.175  -4.329
  267    HZ2  TRP  38           HZ2      TRP  38   2.371   2.826   0.469
  268    HZ3  TRP  38           HZ3      TRP  38   3.730   0.989  -3.168
  269    HH2  TRP  38           HH2      TRP  38   3.107   0.808  -0.775
  270    H    CYS  39           HN       CYS  39   5.042   5.699  -2.166
  271    HA   CYS  39           HA       CYS  39   6.274   3.265  -3.118
  272   1HB   CYS  39          HB2       CYS  39   8.613   3.927  -2.510
  273   2HB   CYS  39          HB1       CYS  39   7.975   4.890  -3.835
  274    HG   CYS  39           HG       CYS  39   7.421   6.772  -1.987
  275    H    CYS  40           HN       CYS  40   8.079   2.864  -1.000
  276    HA   CYS  40           HA       CYS  40   6.240   2.362   1.207
  277   1HB   CYS  40          HB1       CYS  40   8.525   1.234   0.214
  278   2HB   CYS  40          HB2       CYS  40   9.177   2.136   1.579
  279    HA   PRO  41           HA       PRO  41   7.002   6.174   3.299
  280   1HB   PRO  41          HB2       PRO  41   6.140   5.466   5.808
  281   2HB   PRO  41          HB1       PRO  41   5.033   5.785   4.460
  282   1HG   PRO  41          HG2       PRO  41   5.978   3.187   5.572
  283   2HG   PRO  41          HG1       PRO  41   4.375   3.641   4.973
  284   1HD   PRO  41          HD2       PRO  41   6.179   2.172   3.536
  285   2HD   PRO  41          HD1       PRO  41   4.930   3.196   2.798
  286    H    ASP  42           HN       ASP  42   8.688   3.282   3.985
  287    HA   ASP  42           HA       ASP  42  10.537   4.773   5.821
  288   1HB   ASP  42          HB2       ASP  42   9.462   1.948   5.809
  289   2HB   ASP  42          HB1       ASP  42  10.951   2.342   6.669
  290    H    CYS  43           HN       CYS  43  10.239   2.452   3.158
  291    HA   CYS  43           HA       CYS  43  13.184   2.215   2.924
  292   1HB   CYS  43          HB1       CYS  43  10.763   1.013   1.552
  293   2HB   CYS  43          HB2       CYS  43  12.405   0.698   0.993
  294    H    GLY  44           HN       GLY  44  10.649   2.741   0.469
  295   1HA   GLY  44          HA2       GLY  44  10.576   4.865  -0.824
  296   2HA   GLY  44          HA1       GLY  44  12.329   4.946  -0.642
  297    H    ALA  45           HN       ALA  45  10.813   1.877  -1.282
  298    HA   ALA  45           HA       ALA  45  12.123   1.866  -3.967
  299   1HB   ALA  45          HB1       ALA  45  12.607   0.200  -2.055
  300   2HB   ALA  45          HB2       ALA  45  12.255  -0.502  -3.635
  301   3HB   ALA  45          HB3       ALA  45  11.009  -0.468  -2.387
  302    H    THR  46           HN       THR  46  10.879   0.350  -5.566
  303    HA   THR  46           HA       THR  46   8.297   1.503  -6.105
  304    HB   THR  46           HB       THR  46   8.323  -0.133  -7.946
  305    HG1  THR  46           HG1      THR  46  10.222  -1.599  -7.881
  306   1HG2  THR  46          HG21      THR  46   9.800   1.341  -8.809
  307   2HG2  THR  46          HG22      THR  46  11.069   0.233  -8.289
  308   3HG2  THR  46          HG23      THR  46  10.584   1.570  -7.246
  309    H    LYS  47           HN       LYS  47   6.731  -0.699  -6.855
  310    HA   LYS  47           HA       LYS  47   5.610  -1.496  -4.279
  311   1HB   LYS  47          HB1       LYS  47   4.967  -2.284  -7.145
  312   2HB   LYS  47          HB2       LYS  47   3.911  -2.537  -5.754
  313   1HG   LYS  47          HG1       LYS  47   3.755  -0.127  -5.390
  314   2HG   LYS  47          HG2       LYS  47   4.903   0.172  -6.695
  315   1HD   LYS  47          HD2       LYS  47   3.221  -1.158  -8.170
  316   2HD   LYS  47          HD1       LYS  47   2.071  -0.845  -6.870
  317   1HE   LYS  47          HE1       LYS  47   2.339   1.553  -7.121
  318   2HE   LYS  47          HE2       LYS  47   3.674   1.328  -8.268
  319   1HZ   LYS  47          HZ1       LYS  47   2.171   0.131  -9.732
  320   2HZ   LYS  47          HZ2       LYS  47   1.550   1.681  -9.414
  321   3HZ   LYS  47          HZ3       LYS  47   0.893   0.326  -8.629
  322    H    GLU  48           HN       GLU  48   8.167  -2.735  -6.090
  323    HA   GLU  48           HA       GLU  48   7.817  -5.514  -6.189
  324   1HB   GLU  48          HB2       GLU  48   9.810  -3.729  -6.659
  325   2HB   GLU  48          HB1       GLU  48  10.413  -4.461  -5.172
  326   1HG   GLU  48          HG1       GLU  48   9.360  -6.367  -7.178
  327   2HG   GLU  48          HG2       GLU  48  10.830  -5.514  -7.651
  328    H    ASP  49           HN       ASP  49   8.917  -3.544  -3.410
  329    HA   ASP  49           HA       ASP  49   9.186  -5.816  -1.622
  330   1HB   ASP  49          HB1       ASP  49   9.414  -3.974   0.056
  331   2HB   ASP  49          HB2       ASP  49  10.416  -3.696  -1.369
  332    H    TYR  50           HN       TYR  50   6.528  -3.835  -2.680
  333    HA   TYR  50           HA       TYR  50   4.827  -4.533  -0.365
  334   1HB   TYR  50          HB1       TYR  50   4.862  -2.687  -2.677
  335   2HB   TYR  50          HB2       TYR  50   3.262  -3.300  -2.266
  336    HD1  TYR  50           HD1      TYR  50   2.543  -3.184   0.213
  337    HD2  TYR  50           HD2      TYR  50   5.822  -0.946  -1.422
  338    HE1  TYR  50           HE1      TYR  50   2.429  -1.617   2.133
  339    HE2  TYR  50           HE2      TYR  50   5.709   0.622   0.495
  340    HH   TYR  50           HH       TYR  50   3.075   0.595   2.737
  341    H    VAL  51           HN       VAL  51   3.480  -6.286  -0.372
  342    HA   VAL  51           HA       VAL  51   2.818  -7.554  -3.012
  343    HB   VAL  51           HB       VAL  51   3.018  -9.724  -1.753
  344   1HG1  VAL  51          HG11      VAL  51   5.450  -9.748  -1.709
  345   2HG1  VAL  51          HG12      VAL  51   5.501  -7.991  -1.562
  346   3HG1  VAL  51          HG13      VAL  51   4.924  -8.734  -3.053
  347   1HG2  VAL  51          HG21      VAL  51   3.418  -9.803   0.488
  348   2HG2  VAL  51          HG22      VAL  51   2.802  -8.150   0.478
  349   3HG2  VAL  51          HG23      VAL  51   4.541  -8.444   0.431
  350    H    LEU  52           HN       LEU  52   0.753  -8.777  -2.957
  351    HA   LEU  52           HA       LEU  52  -1.335  -7.361  -1.524
  352   1HB   LEU  52          HB2       LEU  52  -1.179  -8.670  -3.838
  353   2HB   LEU  52          HB1       LEU  52  -1.718 -10.018  -2.839
  354    HG   LEU  52           HG       LEU  52  -3.144  -7.446  -2.437
  355   1HD1  LEU  52          HD21      LEU  52  -3.175  -7.229  -4.757
  356   2HD1  LEU  52          HD22      LEU  52  -4.626  -8.191  -4.467
  357   3HD1  LEU  52          HD23      LEU  52  -3.145  -8.973  -5.021
  358   1HD2  LEU  52          HD11      LEU  52  -4.164 -10.260  -2.885
  359   2HD2  LEU  52          HD12      LEU  52  -5.026  -8.914  -2.138
  360   3HD2  LEU  52          HD13      LEU  52  -3.652  -9.650  -1.311
  361    H    TYR  53           HN       TYR  53  -1.820  -7.755   0.593
  362    HA   TYR  53           HA       TYR  53  -0.834 -10.040   2.055
  363   1HB   TYR  53          HB2       TYR  53  -1.404  -7.686   2.866
  364   2HB   TYR  53          HB1       TYR  53  -3.102  -8.152   2.769
  365    HD1  TYR  53           HD1      TYR  53   0.068  -8.614   4.560
  366    HD2  TYR  53           HD2      TYR  53  -4.023  -9.888   4.256
  367    HE1  TYR  53           HE1      TYR  53   0.245  -9.707   6.779
  368    HE2  TYR  53           HE2      TYR  53  -3.847 -10.982   6.475
  369    HH   TYR  53           HH       TYR  53  -1.124 -11.792   7.914
  370    H    GLU  54           HN       GLU  54  -1.761 -12.040   2.258
  371    HA   GLU  54           HA       GLU  54  -4.542 -12.415   1.218
  372   1HB   GLU  54          HB2       GLU  54  -2.473 -13.599   0.252
  373   2HB   GLU  54          HB1       GLU  54  -2.413 -14.504   1.765
  374   1HG   GLU  54          HG1       GLU  54  -4.484 -15.554   1.358
  375   2HG   GLU  54          HG2       GLU  54  -4.959 -14.353   0.158
  376    H    GLU  55           HN       GLU  55  -6.082 -12.709   2.777
  377    HA   GLU  55           HA       GLU  55  -5.453 -13.029   5.573
  378   1HB   GLU  55          HB1       GLU  55  -7.942 -13.291   5.712
  379   2HB   GLU  55          HB2       GLU  55  -7.470 -11.918   4.711
  380   1HG   GLU  55          HG1       GLU  55  -7.519 -14.055   2.923
  381   2HG   GLU  55          HG2       GLU  55  -8.914 -14.345   3.963
  382    H    LYS  56           HN       LYS  56  -4.761 -14.914   6.491
  383    HA   LYS  56           HA       LYS  56  -6.142 -17.444   5.886
  384   1HB   LYS  56          HB1       LYS  56  -4.219 -16.889   4.178
  385   2HB   LYS  56          HB2       LYS  56  -3.150 -17.345   5.506
  386   1HG   LYS  56          HG1       LYS  56  -4.403 -19.512   5.690
  387   2HG   LYS  56          HG2       LYS  56  -5.317 -19.057   4.253
  388   1HD   LYS  56          HD1       LYS  56  -2.301 -19.355   4.401
  389   2HD   LYS  56          HD2       LYS  56  -3.409 -20.512   3.663
  390   1HE   LYS  56          HE2       LYS  56  -4.202 -18.346   2.310
  391   2HE   LYS  56          HE1       LYS  56  -2.550 -17.817   2.679
  392   1HZ   LYS  56          HZ1       LYS  56  -2.670 -19.160   0.630
  393   2HZ   LYS  56          HZ2       LYS  56  -3.281 -20.464   1.530
  394   3HZ   LYS  56          HZ3       LYS  56  -1.708 -19.897   1.820
  Start of MODEL    3
    1    H    ALA   1           HT1      ALA   1 -13.576  -4.426   0.909
    2    HA   ALA   1           HA       ALA   1 -14.848  -3.140  -1.441
    3   1HB   ALA   1          HB1       ALA   1 -14.600  -2.175   1.434
    4   2HB   ALA   1          HB2       ALA   1 -16.104  -2.636   0.637
    5   3HB   ALA   1          HB3       ALA   1 -15.214  -1.215   0.088
    6    H    TYR   2           HN       TYR   2 -12.542  -2.622   1.266
    7    HA   TYR   2           HA       TYR   2 -10.674  -1.337  -0.680
    8   1HB   TYR   2          HB2       TYR   2 -11.139  -1.254   2.304
    9   2HB   TYR   2          HB1       TYR   2  -9.626  -0.657   1.620
   10    HD1  TYR   2           HD1      TYR   2  -9.858   0.999  -0.406
   11    HD2  TYR   2           HD2      TYR   2 -12.990   0.173   2.415
   12    HE1  TYR   2           HE1      TYR   2 -10.977   3.123  -1.027
   13    HE2  TYR   2           HE2      TYR   2 -14.109   2.297   1.795
   14    HH   TYR   2           HH       TYR   2 -12.835   4.737   0.508
   15    H    LEU   3           HN       LEU   3  -8.724  -2.294  -1.134
   16    HA   LEU   3           HA       LEU   3  -8.169  -4.952   0.057
   17   1HB   LEU   3          HB1       LEU   3  -7.462  -3.377  -2.369
   18   2HB   LEU   3          HB2       LEU   3  -6.221  -4.489  -1.793
   19    HG   LEU   3           HG       LEU   3  -8.142  -6.232  -1.665
   20   1HD1  LEU   3          HD21      LEU   3  -9.860  -5.697  -3.518
   21   2HD1  LEU   3          HD22      LEU   3  -9.352  -4.018  -3.329
   22   3HD1  LEU   3          HD23      LEU   3 -10.071  -4.881  -1.969
   23   1HD2  LEU   3          HD11      LEU   3  -7.724  -6.908  -3.935
   24   2HD2  LEU   3          HD12      LEU   3  -6.248  -6.142  -3.346
   25   3HD2  LEU   3          HD13      LEU   3  -7.336  -5.257  -4.417
   26    H    LYS   4           HN       LYS   4  -5.901  -5.421   0.742
   27    HA   LYS   4           HA       LYS   4  -4.440  -3.009   1.748
   28   1HB   LYS   4          HB1       LYS   4  -5.003  -5.587   3.250
   29   2HB   LYS   4          HB2       LYS   4  -4.148  -4.185   3.887
   30   1HG   LYS   4          HG2       LYS   4  -6.147  -3.418   4.601
   31   2HG   LYS   4          HG1       LYS   4  -6.562  -3.154   2.909
   32   1HD   LYS   4          HD1       LYS   4  -7.473  -5.427   2.755
   33   2HD   LYS   4          HD2       LYS   4  -7.003  -5.745   4.424
   34   1HE   LYS   4          HE2       LYS   4  -8.761  -4.538   5.277
   35   2HE   LYS   4          HE1       LYS   4  -8.676  -3.321   3.988
   36   1HZ   LYS   4          HZ1       LYS   4  -9.669  -4.820   2.459
   37   2HZ   LYS   4          HZ2       LYS   4 -10.633  -4.870   3.857
   38   3HZ   LYS   4          HZ3       LYS   4  -9.538  -6.128   3.534
   39    H    TRP   5           HN       TRP   5  -2.177  -3.263   1.752
   40    HA   TRP   5           HA       TRP   5  -1.143  -5.783   0.481
   41   1HB   TRP   5          HB2       TRP   5  -0.124  -2.925   0.294
   42   2HB   TRP   5          HB1       TRP   5   0.487  -4.306  -0.614
   43    HD1  TRP   5           HD1      TRP   5  -2.930  -2.548  -0.109
   44    HE1  TRP   5           HE1      TRP   5  -4.151  -2.503  -2.365
   45    HE3  TRP   5           HE3      TRP   5   0.467  -5.053  -2.978
   46    HZ2  TRP   5           HZ2      TRP   5  -3.746  -3.422  -5.052
   47    HZ3  TRP   5           HZ3      TRP   5   0.024  -5.455  -5.384
   48    HH2  TRP   5           HH2      TRP   5  -2.076  -4.644  -6.423
   49    H    ILE   6           HN       ILE   6   1.439  -5.678   0.884
   50    HA   ILE   6           HA       ILE   6   2.067  -4.716   3.595
   51    HB   ILE   6           HB       ILE   6   0.879  -6.953   3.709
   52   1HG1  ILE   6          HG11      ILE   6   2.290  -6.029   5.524
   53   2HG1  ILE   6          HG12      ILE   6   2.336  -7.786   5.466
   54   1HG2  ILE   6          HG21      ILE   6   2.119  -8.956   3.151
   55   2HG2  ILE   6          HG22      ILE   6   3.524  -8.001   2.679
   56   3HG2  ILE   6          HG23      ILE   6   2.049  -7.933   1.715
   57   1HD1  ILE   6          HD11      ILE   6   4.418  -7.176   3.818
   58   2HD1  ILE   6          HD12      ILE   6   4.584  -7.487   5.542
   59   3HD1  ILE   6          HD13      ILE   6   4.481  -5.829   4.951
   60    H    CYS   7           HN       CYS   7   4.152  -4.026   3.609
   61    HA   CYS   7           HA       CYS   7   5.872  -4.436   1.297
   62   1HB   CYS   7          HB2       CYS   7   5.592  -2.436   2.977
   63   2HB   CYS   7          HB1       CYS   7   6.709  -3.352   3.988
   64    H    ILE   8           HN       ILE   8   6.297  -6.739   1.248
   65    HA   ILE   8           HA       ILE   8   7.067  -8.400   3.385
   66    HB   ILE   8           HB       ILE   8   8.219  -9.692   1.571
   67   1HG1  ILE   8          HG11      ILE   8   7.451  -7.484  -0.324
   68   2HG1  ILE   8          HG12      ILE   8   9.015  -7.446   0.489
   69   1HG2  ILE   8          HG21      ILE   8   5.647  -8.464   0.554
   70   2HG2  ILE   8          HG22      ILE   8   5.691  -9.627   1.880
   71   3HG2  ILE   8          HG23      ILE   8   6.245 -10.099   0.274
   72   1HD1  ILE   8          HD11      ILE   8   9.332  -9.851  -0.341
   73   2HD1  ILE   8          HD12      ILE   8   9.402  -8.588  -1.568
   74   3HD1  ILE   8          HD13      ILE   8   7.942  -9.560  -1.387
   75    H    THR   9           HN       THR   9   8.837  -5.844   1.813
   76    HA   THR   9           HA       THR   9  11.500  -6.567   2.626
   77    HB   THR   9           HB       THR   9  10.097  -3.955   1.952
   78    HG1  THR   9           HG1      THR   9  11.810  -5.638   0.445
   79   1HG2  THR   9          HG21      THR   9  12.827  -4.491   2.872
   80   2HG2  THR   9          HG22      THR   9  11.971  -2.955   2.726
   81   3HG2  THR   9          HG23      THR   9  12.776  -3.654   1.321
   82    H    CYS  10           HN       CYS  10   8.817  -4.965   4.252
   83    HA   CYS  10           HA       CYS  10  10.579  -4.557   6.639
   84   1HB   CYS  10          HB2       CYS  10   8.299  -2.926   5.545
   85   2HB   CYS  10          HB1       CYS  10   9.093  -2.589   7.076
   86    H    GLY  11           HN       GLY  11   7.145  -4.972   5.669
   87   1HA   GLY  11          HA2       GLY  11   5.951  -6.899   6.754
   88   2HA   GLY  11          HA1       GLY  11   6.751  -6.430   8.251
   89    H    HIS  12           HN       HIS  12   5.797  -3.747   6.347
   90    HA   HIS  12           HA       HIS  12   3.662  -3.113   8.305
   91   1HB   HIS  12          HB2       HIS  12   5.543  -1.732   6.501
   92   2HB   HIS  12          HB1       HIS  12   3.937  -1.004   6.527
   93    HD1  HIS  12           HD1      HIS  12   3.611   0.652   8.351
   94    HD2  HIS  12           HD2      HIS  12   6.473  -2.201   9.380
   95    HE1  HIS  12           HE1      HIS  12   4.481   1.301  10.640
   96    H    ILE  13           HN       ILE  13   1.540  -3.461   7.773
   97    HA   ILE  13           HA       ILE  13   0.848  -4.205   5.006
   98    HB   ILE  13           HB       ILE  13  -0.667  -4.070   7.639
   99   1HG1  ILE  13          HG12      ILE  13   0.048  -6.549   6.090
  100   2HG1  ILE  13          HG11      ILE  13   1.246  -5.791   7.138
  101   1HG2  ILE  13          HG21      ILE  13  -1.526  -5.067   4.906
  102   2HG2  ILE  13          HG22      ILE  13  -2.290  -3.804   5.870
  103   3HG2  ILE  13          HG23      ILE  13  -2.365  -5.484   6.400
  104   1HD1  ILE  13          HD11      ILE  13  -1.528  -6.363   8.164
  105   2HD1  ILE  13          HD12      ILE  13  -0.032  -6.162   9.076
  106   3HD1  ILE  13          HD13      ILE  13  -0.306  -7.634   8.144
  107    H    TYR  14           HN       TYR  14  -0.436  -2.974   3.642
  108    HA   TYR  14           HA       TYR  14  -0.989  -0.160   4.475
  109   1HB   TYR  14          HB1       TYR  14   0.401  -0.486   2.494
  110   2HB   TYR  14          HB2       TYR  14  -0.778  -1.599   1.802
  111    HD1  TYR  14           HD1      TYR  14  -2.695  -0.799   0.600
  112    HD2  TYR  14           HD2      TYR  14  -0.217   1.942   2.805
  113    HE1  TYR  14           HE1      TYR  14  -3.876   1.116  -0.442
  114    HE2  TYR  14           HE2      TYR  14  -1.405   3.854   1.760
  115    HH   TYR  14           HH       TYR  14  -3.793   4.180   0.709
  116    H    ASP  15           HN       ASP  15  -3.056   0.718   4.219
  117    HA   ASP  15           HA       ASP  15  -5.261  -1.224   3.596
  118   1HB   ASP  15          HB2       ASP  15  -4.963  -0.609   6.016
  119   2HB   ASP  15          HB1       ASP  15  -5.224   1.080   5.582
  120    H    GLU  16           HN       GLU  16  -5.905  -0.555   1.550
  121    HA   GLU  16           HA       GLU  16  -5.656   1.963   0.360
  122   1HB   GLU  16          HB1       GLU  16  -7.771  -0.201   0.134
  123   2HB   GLU  16          HB2       GLU  16  -7.668   1.153  -0.990
  124   1HG   GLU  16          HG1       GLU  16  -5.351   0.512  -1.549
  125   2HG   GLU  16          HG2       GLU  16  -5.451  -0.842  -0.427
  126    H    ALA  17           HN       ALA  17  -7.930   0.950   2.820
  127    HA   ALA  17           HA       ALA  17  -9.603   3.373   2.463
  128   1HB   ALA  17          HB1       ALA  17 -10.121   1.710   4.798
  129   2HB   ALA  17          HB2       ALA  17  -9.959   0.723   3.346
  130   3HB   ALA  17          HB3       ALA  17 -11.159   2.015   3.407
  131    H    LEU  18           HN       LEU  18  -6.673   3.253   3.518
  132    HA   LEU  18           HA       LEU  18  -6.911   5.366   5.461
  133   1HB   LEU  18          HB1       LEU  18  -7.605   2.981   6.513
  134   2HB   LEU  18          HB2       LEU  18  -5.858   2.869   6.729
  135    HG   LEU  18           HG       LEU  18  -6.021   5.238   7.746
  136   1HD1  LEU  18          HD11      LEU  18  -8.135   5.981   8.520
  137   2HD1  LEU  18          HD12      LEU  18  -8.884   4.411   8.230
  138   3HD1  LEU  18          HD13      LEU  18  -8.440   5.442   6.869
  139   1HD2  LEU  18          HD21      LEU  18  -6.945   4.205   9.943
  140   2HD2  LEU  18          HD22      LEU  18  -5.502   3.481   9.233
  141   3HD2  LEU  18          HD23      LEU  18  -7.074   2.713   9.014
  142    H    GLY  19           HN       GLY  19  -5.345   5.613   3.412
  143   1HA   GLY  19          HA1       GLY  19  -2.759   4.331   3.580
  144   2HA   GLY  19          HA2       GLY  19  -3.148   5.729   2.578
  145    H    ASP  20           HN       ASP  20  -1.410   7.035   3.112
  146    HA   ASP  20           HA       ASP  20  -0.880   7.586   5.993
  147   1HB   ASP  20          HB1       ASP  20   0.595   7.499   3.428
  148   2HB   ASP  20          HB2       ASP  20   1.057   8.837   4.484
  149    H    GLU  21           HN       GLU  21  -0.237   9.964   6.395
  150    HA   GLU  21           HA       GLU  21  -2.253  11.729   5.065
  151   1HB   GLU  21          HB1       GLU  21  -1.032  11.434   7.772
  152   2HB   GLU  21          HB2       GLU  21  -1.438  13.075   7.267
  153   1HG   GLU  21          HG1       GLU  21  -3.743  12.418   6.834
  154   2HG   GLU  21          HG2       GLU  21  -3.362  10.730   7.177
  155    H    ALA  22           HN       ALA  22   1.170  11.482   5.974
  156    HA   ALA  22           HA       ALA  22   1.954  14.119   5.140
  157   1HB   ALA  22          HB1       ALA  22   3.542  11.525   5.176
  158   2HB   ALA  22          HB2       ALA  22   3.205  12.495   6.611
  159   3HB   ALA  22          HB3       ALA  22   4.195  13.158   5.311
  160    H    GLU  23           HN       GLU  23   1.879  10.975   3.439
  161    HA   GLU  23           HA       GLU  23   2.986  12.014   0.974
  162   1HB   GLU  23          HB2       GLU  23   1.332   9.547   1.629
  163   2HB   GLU  23          HB1       GLU  23   2.296   9.771   0.175
  164   1HG   GLU  23          HG1       GLU  23   3.500   9.963   2.937
  165   2HG   GLU  23          HG2       GLU  23   3.396   8.434   2.065
  166    H    GLY  24           HN       GLY  24  -0.020  12.540   2.416
  167   1HA   GLY  24          HA2       GLY  24  -1.901  13.651   1.525
  168   2HA   GLY  24          HA1       GLY  24  -1.117  13.630  -0.055
  169    H    PHE  25           HN       PHE  25  -1.429  10.669   1.765
  170    HA   PHE  25           HA       PHE  25  -3.024   9.471  -0.383
  171   1HB   PHE  25          HB1       PHE  25  -1.265   8.745   1.815
  172   2HB   PHE  25          HB2       PHE  25  -2.720   7.766   1.866
  173    HD1  PHE  25           HD1      PHE  25  -1.372   9.117  -1.311
  174    HD2  PHE  25           HD2      PHE  25  -1.553   5.729   1.314
  175    HE1  PHE  25           HE1      PHE  25  -0.452   7.677  -3.109
  176    HE2  PHE  25           HE2      PHE  25  -0.635   4.285  -0.484
  177    HZ   PHE  25           HZ       PHE  25  -0.079   5.263  -2.693
  178    H    THR  26           HN       THR  26  -4.950  10.892   0.002
  179    HA   THR  26           HA       THR  26  -6.449  11.153   2.326
  180    HB   THR  26           HB       THR  26  -6.818  12.172   0.075
  181    HG1  THR  26           HG1      THR  26  -8.741  12.547   0.783
  182   1HG2  THR  26          HG21      THR  26  -7.508  10.965  -1.749
  183   2HG2  THR  26          HG22      THR  26  -8.428   9.820  -0.772
  184   3HG2  THR  26          HG23      THR  26  -6.675   9.667  -0.893
  185    HA   PRO  27           HA       PRO  27  -7.881   7.165   3.504
  186   1HB   PRO  27          HB1       PRO  27 -10.544   8.378   4.016
  187   2HB   PRO  27          HB2       PRO  27  -9.447   7.564   5.146
  188   1HG   PRO  27          HG2       PRO  27  -9.833  10.223   5.171
  189   2HG   PRO  27          HG1       PRO  27  -8.285   9.481   5.600
  190   1HD   PRO  27          HD1       PRO  27  -9.075  10.911   3.112
  191   2HD   PRO  27          HD2       PRO  27  -7.502  10.853   3.938
  192    H    GLY  28           HN       GLY  28  -8.293   5.723   1.867
  193   1HA   GLY  28          HA2       GLY  28 -10.197   4.608   0.672
  194   2HA   GLY  28          HA1       GLY  28 -10.706   6.218   0.168
  195    H    THR  29           HN       THR  29  -7.296   5.719   0.195
  196    HA   THR  29           HA       THR  29  -7.227   5.936  -2.743
  197    HB   THR  29           HB       THR  29  -5.017   5.716  -0.664
  198    HG1  THR  29           HG1      THR  29  -6.147   7.501  -0.149
  199   1HG2  THR  29          HG21      THR  29  -3.537   6.361  -2.324
  200   2HG2  THR  29          HG22      THR  29  -4.782   7.196  -3.255
  201   3HG2  THR  29          HG23      THR  29  -4.684   5.435  -3.292
  202    H    ARG  30           HN       ARG  30  -7.340   4.080  -3.934
  203    HA   ARG  30           HA       ARG  30  -6.572   1.488  -2.736
  204   1HB   ARG  30          HB2       ARG  30  -7.770   2.345  -5.396
  205   2HB   ARG  30          HB1       ARG  30  -7.549   0.664  -4.907
  206   1HG   ARG  30          HG1       ARG  30  -8.878   1.372  -2.770
  207   2HG   ARG  30          HG2       ARG  30  -9.402   2.739  -3.754
  208   1HD   ARG  30          HD2       ARG  30 -10.088   1.026  -5.532
  209   2HD   ARG  30          HD1       ARG  30  -9.853  -0.212  -4.283
  210    HE   ARG  30           HE       ARG  30 -11.803   0.598  -3.214
  211   1HH1  ARG  30          HH12      ARG  30 -10.548   2.960  -5.443
  212   2HH1  ARG  30          HH11      ARG  30 -11.886   4.034  -5.226
  213   1HH2  ARG  30          HH22      ARG  30 -13.526   2.010  -2.950
  214   2HH2  ARG  30          HH21      ARG  30 -13.560   3.502  -3.827
  215    H    PHE  31           HN       PHE  31  -4.784   0.289  -3.388
  216    HA   PHE  31           HA       PHE  31  -2.501   1.555  -4.520
  217   1HB   PHE  31          HB1       PHE  31  -3.165  -0.804  -3.249
  218   2HB   PHE  31          HB2       PHE  31  -2.803  -1.369  -4.878
  219    HD1  PHE  31           HD1      PHE  31  -1.314   1.482  -2.959
  220    HD2  PHE  31           HD2      PHE  31  -0.690  -2.385  -4.720
  221    HE1  PHE  31           HE1      PHE  31   1.109   1.655  -2.480
  222    HE2  PHE  31           HE2      PHE  31   1.735  -2.213  -4.237
  223    HZ   PHE  31           HZ       PHE  31   2.636  -0.192  -3.118
  224    H    GLU  32           HN       GLU  32  -5.098  -0.352  -6.004
  225    HA   GLU  32           HA       GLU  32  -4.027  -0.872  -8.543
  226   1HB   GLU  32          HB1       GLU  32  -6.191  -1.665  -7.715
  227   2HB   GLU  32          HB2       GLU  32  -6.821  -0.018  -7.710
  228   1HG   GLU  32          HG1       GLU  32  -7.616  -0.969  -9.743
  229   2HG   GLU  32          HG2       GLU  32  -6.238   0.023 -10.219
  230    H    ASP  33           HN       ASP  33  -5.230   2.173  -7.220
  231    HA   ASP  33           HA       ASP  33  -4.867   3.503  -9.864
  232   1HB   ASP  33          HB1       ASP  33  -6.924   3.682  -8.268
  233   2HB   ASP  33          HB2       ASP  33  -5.891   4.735  -7.299
  234    H    ILE  34           HN       ILE  34  -2.720   2.609  -7.761
  235    HA   ILE  34           HA       ILE  34  -1.409   5.290  -7.458
  236    HB   ILE  34           HB       ILE  34  -1.254   2.706  -5.868
  237   1HG1  ILE  34          HG12      ILE  34  -2.118   5.492  -5.053
  238   2HG1  ILE  34          HG11      ILE  34  -3.236   4.212  -5.527
  239   1HG2  ILE  34          HG21      ILE  34   0.726   3.361  -5.026
  240   2HG2  ILE  34          HG22      ILE  34   0.061   4.941  -4.614
  241   3HG2  ILE  34          HG23      ILE  34   0.763   4.668  -6.210
  242   1HD1  ILE  34          HD11      ILE  34  -3.028   3.152  -3.532
  243   2HD1  ILE  34          HD12      ILE  34  -2.317   4.659  -2.955
  244   3HD1  ILE  34          HD13      ILE  34  -1.276   3.351  -3.517
  245    HA   PRO  35           HA       PRO  35   1.137   3.315 -10.668
  246   1HB   PRO  35          HB2       PRO  35   2.556   5.922 -10.482
  247   2HB   PRO  35          HB1       PRO  35   1.872   5.116 -11.906
  248   1HG   PRO  35          HG1       PRO  35   0.733   7.276 -10.787
  249   2HG   PRO  35          HG2       PRO  35  -0.211   5.998 -11.563
  250   1HD   PRO  35          HD2       PRO  35   0.166   6.584  -8.673
  251   2HD   PRO  35          HD1       PRO  35  -1.244   5.916  -9.520
  252    H    ASP  36           HN       ASP  36   3.886   4.173 -10.720
  253    HA   ASP  36           HA       ASP  36   4.856   2.780  -8.288
  254   1HB   ASP  36          HB2       ASP  36   6.091   3.651 -10.924
  255   2HB   ASP  36          HB1       ASP  36   6.994   2.810  -9.663
  256    H    ASP  37           HN       ASP  37   3.969   5.784  -8.557
  257    HA   ASP  37           HA       ASP  37   6.439   7.259  -7.988
  258   1HB   ASP  37          HB2       ASP  37   4.455   8.196  -9.172
  259   2HB   ASP  37          HB1       ASP  37   3.494   7.974  -7.709
  260    H    TRP  38           HN       TRP  38   3.538   6.317  -6.107
  261    HA   TRP  38           HA       TRP  38   4.427   7.341  -3.591
  262   1HB   TRP  38          HB1       TRP  38   2.112   6.717  -4.107
  263   2HB   TRP  38          HB2       TRP  38   2.593   5.041  -4.366
  264    HD1  TRP  38           HD1      TRP  38   2.130   7.636  -1.594
  265    HE1  TRP  38           HE1      TRP  38   1.990   6.409   0.670
  266    HE3  TRP  38           HE3      TRP  38   3.245   2.885  -3.094
  267    HZ2  TRP  38           HZ2      TRP  38   2.308   3.764   1.706
  268    HZ3  TRP  38           HZ3      TRP  38   3.317   1.032  -1.450
  269    HH2  TRP  38           HH2      TRP  38   2.850   1.467   0.946
  270    H    CYS  39           HN       CYS  39   5.590   6.347  -1.911
  271    HA   CYS  39           HA       CYS  39   6.805   3.672  -2.518
  272   1HB   CYS  39          HB1       CYS  39   8.052   6.192  -1.357
  273   2HB   CYS  39          HB2       CYS  39   8.879   4.639  -1.471
  274    HG   CYS  39           HG       CYS  39   7.773   5.682  -4.147
  275    H    CYS  40           HN       CYS  40   8.188   3.362  -0.121
  276    HA   CYS  40           HA       CYS  40   6.000   2.759   1.727
  277   1HB   CYS  40          HB1       CYS  40   8.532   1.770   1.110
  278   2HB   CYS  40          HB2       CYS  40   8.760   2.501   2.698
  279    HA   PRO  41           HA       PRO  41   6.135   6.398   4.157
  280   1HB   PRO  41          HB2       PRO  41   5.956   4.740   6.607
  281   2HB   PRO  41          HB1       PRO  41   4.811   5.935   5.976
  282   1HG   PRO  41          HG2       PRO  41   4.340   3.284   5.908
  283   2HG   PRO  41          HG1       PRO  41   3.726   4.398   4.679
  284   1HD   PRO  41          HD2       PRO  41   5.983   2.469   4.526
  285   2HD   PRO  41          HD1       PRO  41   4.851   2.997   3.263
  286    H    ASP  42           HN       ASP  42   8.464   3.888   4.586
  287    HA   ASP  42           HA       ASP  42  10.393   5.852   5.658
  288   1HB   ASP  42          HB2       ASP  42   8.880   4.523   7.449
  289   2HB   ASP  42          HB1       ASP  42  10.138   3.310   7.209
  290    H    CYS  43           HN       CYS  43  10.317   4.363   3.178
  291    HA   CYS  43           HA       CYS  43  12.856   2.829   3.507
  292   1HB   CYS  43          HB2       CYS  43  10.441   1.900   1.922
  293   2HB   CYS  43          HB1       CYS  43  11.942   1.011   2.148
  294    H    GLY  44           HN       GLY  44  10.494   3.725   0.962
  295   1HA   GLY  44          HA1       GLY  44  10.945   5.321  -0.803
  296   2HA   GLY  44          HA2       GLY  44  12.669   5.167  -0.462
  297    H    ALA  45           HN       ALA  45  10.664   2.317  -0.646
  298    HA   ALA  45           HA       ALA  45  12.221   1.415  -3.007
  299   1HB   ALA  45          HB1       ALA  45  10.886  -0.741  -2.332
  300   2HB   ALA  45          HB2       ALA  45  10.469   0.177  -0.884
  301   3HB   ALA  45          HB3       ALA  45  12.159  -0.167  -1.254
  302    H    THR  46           HN       THR  46  10.540  -0.287  -4.272
  303    HA   THR  46           HA       THR  46   8.395   1.521  -5.323
  304    HB   THR  46           HB       THR  46   8.688   0.174  -7.384
  305    HG1  THR  46           HG1      THR  46  10.798  -1.134  -6.044
  306   1HG2  THR  46          HG21      THR  46  11.293   0.621  -7.578
  307   2HG2  THR  46          HG22      THR  46  11.041   1.451  -6.042
  308   3HG2  THR  46          HG23      THR  46  10.157   1.966  -7.478
  309    H    LYS  47           HN       LYS  47   6.723  -0.153  -6.564
  310    HA   LYS  47           HA       LYS  47   5.190  -1.394  -4.490
  311   1HB   LYS  47          HB2       LYS  47   4.380  -0.512  -6.694
  312   2HB   LYS  47          HB1       LYS  47   5.185  -1.860  -7.496
  313   1HG   LYS  47          HG1       LYS  47   3.756  -3.219  -5.641
  314   2HG   LYS  47          HG2       LYS  47   2.696  -1.831  -5.879
  315   1HD   LYS  47          HD1       LYS  47   2.016  -3.469  -7.487
  316   2HD   LYS  47          HD2       LYS  47   2.919  -2.247  -8.383
  317   1HE   LYS  47          HE2       LYS  47   3.923  -4.208  -9.180
  318   2HE   LYS  47          HE1       LYS  47   4.977  -3.847  -7.800
  319   1HZ   LYS  47          HZ1       LYS  47   3.727  -5.289  -6.418
  320   2HZ   LYS  47          HZ2       LYS  47   4.026  -6.162  -7.844
  321   3HZ   LYS  47          HZ3       LYS  47   2.499  -5.468  -7.578
  322    H    GLU  48           HN       GLU  48   7.934  -2.513  -6.285
  323    HA   GLU  48           HA       GLU  48   7.508  -5.299  -6.433
  324   1HB   GLU  48          HB2       GLU  48   9.802  -3.405  -6.201
  325   2HB   GLU  48          HB1       GLU  48  10.156  -5.104  -5.889
  326   1HG   GLU  48          HG2       GLU  48   9.178  -5.722  -8.057
  327   2HG   GLU  48          HG1       GLU  48   8.770  -4.035  -8.368
  328    H    ASP  49           HN       ASP  49   8.593  -3.309  -3.692
  329    HA   ASP  49           HA       ASP  49   9.050  -5.591  -1.932
  330   1HB   ASP  49          HB1       ASP  49   8.717  -2.603  -1.466
  331   2HB   ASP  49          HB2       ASP  49   9.310  -3.746  -0.262
  332    H    TYR  50           HN       TYR  50   6.250  -3.880  -2.978
  333    HA   TYR  50           HA       TYR  50   4.715  -4.578  -0.528
  334   1HB   TYR  50          HB1       TYR  50   4.589  -2.659  -2.785
  335   2HB   TYR  50          HB2       TYR  50   3.027  -3.274  -2.248
  336    HD1  TYR  50           HD1      TYR  50   5.859  -1.145  -1.448
  337    HD2  TYR  50           HD2      TYR  50   2.359  -3.039   0.166
  338    HE1  TYR  50           HE1      TYR  50   5.946   0.367   0.516
  339    HE2  TYR  50           HE2      TYR  50   2.446  -1.527   2.130
  340    HH   TYR  50           HH       TYR  50   4.697  -0.104   3.254
  341    H    VAL  51           HN       VAL  51   3.187  -6.193  -0.545
  342    HA   VAL  51           HA       VAL  51   2.453  -7.421  -3.180
  343    HB   VAL  51           HB       VAL  51   3.240  -8.785  -0.577
  344   1HG1  VAL  51          HG21      VAL  51   1.412  -9.801  -2.210
  345   2HG1  VAL  51          HG22      VAL  51   2.668 -10.829  -1.519
  346   3HG1  VAL  51          HG23      VAL  51   2.827 -10.228  -3.170
  347   1HG2  VAL  51          HG11      VAL  51   5.088  -7.779  -1.981
  348   2HG2  VAL  51          HG12      VAL  51   4.595  -8.858  -3.286
  349   3HG2  VAL  51          HG13      VAL  51   5.203  -9.526  -1.771
  350    H    LEU  52           HN       LEU  52   0.296  -8.276  -3.230
  351    HA   LEU  52           HA       LEU  52  -1.653  -6.972  -1.585
  352   1HB   LEU  52          HB2       LEU  52  -1.670  -8.143  -3.959
  353   2HB   LEU  52          HB1       LEU  52  -2.166  -9.549  -3.019
  354    HG   LEU  52           HG       LEU  52  -3.533  -6.995  -2.368
  355   1HD1  LEU  52          HD21      LEU  52  -3.242  -7.644  -5.054
  356   2HD1  LEU  52          HD22      LEU  52  -4.492  -6.607  -4.370
  357   3HD1  LEU  52          HD23      LEU  52  -4.815  -8.321  -4.630
  358   1HD2  LEU  52          HD11      LEU  52  -5.466  -8.514  -2.203
  359   2HD2  LEU  52          HD12      LEU  52  -4.092  -9.131  -1.282
  360   3HD2  LEU  52          HD13      LEU  52  -4.486  -9.832  -2.852
  361    H    TYR  53           HN       TYR  53  -2.112  -7.456   0.516
  362    HA   TYR  53           HA       TYR  53  -1.150  -9.892   1.784
  363   1HB   TYR  53          HB2       TYR  53  -1.435  -7.496   2.714
  364   2HB   TYR  53          HB1       TYR  53  -3.149  -7.883   2.855
  365    HD1  TYR  53           HD1      TYR  53  -3.964  -9.299   4.599
  366    HD2  TYR  53           HD2      TYR  53   0.262  -8.895   3.941
  367    HE1  TYR  53           HE1      TYR  53  -3.519 -10.488   6.728
  368    HE2  TYR  53           HE2      TYR  53   0.706 -10.084   6.072
  369    HH   TYR  53           HH       TYR  53  -0.302 -11.499   7.631
  370    H    GLU  54           HN       GLU  54  -2.225 -11.818   1.598
  371    HA   GLU  54           HA       GLU  54  -5.106 -11.974   2.077
  372   1HB   GLU  54          HB2       GLU  54  -5.556 -12.933  -0.205
  373   2HB   GLU  54          HB1       GLU  54  -5.049 -11.246  -0.263
  374   1HG   GLU  54          HG1       GLU  54  -3.359 -11.839  -1.624
  375   2HG   GLU  54          HG2       GLU  54  -2.681 -12.806  -0.315
  376    H    GLU  55           HN       GLU  55  -3.761 -13.298   3.731
  377    HA   GLU  55           HA       GLU  55  -2.467 -15.742   2.926
  378   1HB   GLU  55          HB2       GLU  55  -2.390 -14.350   5.125
  379   2HB   GLU  55          HB1       GLU  55  -3.854 -15.232   5.565
  380   1HG   GLU  55          HG2       GLU  55  -2.727 -17.186   5.895
  381   2HG   GLU  55          HG1       GLU  55  -1.656 -16.912   4.521
  382    H    LYS  56           HN       LYS  56  -3.636 -17.262   1.786
  383    HA   LYS  56           HA       LYS  56  -5.368 -18.779   1.256
  384   1HB   LYS  56          HB2       LYS  56  -4.620 -18.996   3.888
  385   2HB   LYS  56          HB1       LYS  56  -6.356 -18.726   4.051
  386   1HG   LYS  56          HG1       LYS  56  -6.868 -20.765   3.192
  387   2HG   LYS  56          HG2       LYS  56  -5.646 -20.635   1.925
  388   1HD   LYS  56          HD2       LYS  56  -3.936 -21.451   3.321
  389   2HD   LYS  56          HD1       LYS  56  -4.836 -21.084   4.793
  390   1HE   LYS  56          HE2       LYS  56  -6.065 -23.030   2.877
  391   2HE   LYS  56          HE1       LYS  56  -4.698 -23.586   3.862
  392   1HZ   LYS  56          HZ1       LYS  56  -6.894 -23.813   4.984
  393   2HZ   LYS  56          HZ2       LYS  56  -7.054 -22.122   4.938
  394   3HZ   LYS  56          HZ3       LYS  56  -5.799 -22.833   5.835
  Start of MODEL    4
    1    H    ALA   1           HT1      ALA   1 -13.292  -4.613  -4.151
    2    HA   ALA   1           HA       ALA   1 -14.321  -3.384  -1.650
    3   1HB   ALA   1          HB1       ALA   1 -14.509  -5.513  -0.892
    4   2HB   ALA   1          HB2       ALA   1 -12.782  -5.726  -1.179
    5   3HB   ALA   1          HB3       ALA   1 -13.943  -6.143  -2.439
    6    H    TYR   2           HN       TYR   2 -12.596  -2.551  -0.384
    7    HA   TYR   2           HA       TYR   2 -10.255  -1.642  -1.781
    8   1HB   TYR   2          HB2       TYR   2 -11.097  -1.817   1.129
    9   2HB   TYR   2          HB1       TYR   2  -9.601  -1.030   0.626
   10    HD1  TYR   2           HD1      TYR   2  -9.840   0.738  -1.316
   11    HD2  TYR   2           HD2      TYR   2 -13.074  -0.574   1.189
   12    HE1  TYR   2           HE1      TYR   2 -11.115   2.790  -1.885
   13    HE2  TYR   2           HE2      TYR   2 -14.347   1.477   0.621
   14    HH   TYR   2           HH       TYR   2 -12.968   4.165  -0.788
   15    H    LEU   3           HN       LEU   3  -8.176  -2.462  -1.817
   16    HA   LEU   3           HA       LEU   3  -7.834  -5.251  -0.831
   17   1HB   LEU   3          HB1       LEU   3  -6.897  -3.545  -3.037
   18   2HB   LEU   3          HB2       LEU   3  -5.608  -4.506  -2.317
   19    HG   LEU   3           HG       LEU   3  -7.166  -6.512  -2.513
   20   1HD1  LEU   3          HD11      LEU   3  -8.720  -4.407  -4.008
   21   2HD1  LEU   3          HD12      LEU   3  -9.305  -5.576  -2.825
   22   3HD1  LEU   3          HD13      LEU   3  -8.866  -6.108  -4.448
   23   1HD2  LEU   3          HD21      LEU   3  -6.907  -5.997  -5.285
   24   2HD2  LEU   3          HD22      LEU   3  -5.789  -6.891  -4.255
   25   3HD2  LEU   3          HD23      LEU   3  -5.571  -5.157  -4.498
   26    H    LYS   4           HN       LYS   4  -5.548  -5.752  -0.006
   27    HA   LYS   4           HA       LYS   4  -4.409  -3.473   1.569
   28   1HB   LYS   4          HB1       LYS   4  -5.299  -6.232   2.448
   29   2HB   LYS   4          HB2       LYS   4  -4.178  -5.271   3.412
   30   1HG   LYS   4          HG2       LYS   4  -5.805  -3.472   3.599
   31   2HG   LYS   4          HG1       LYS   4  -6.906  -4.306   2.502
   32   1HD   LYS   4          HD1       LYS   4  -7.696  -5.634   4.155
   33   2HD   LYS   4          HD2       LYS   4  -6.073  -5.987   4.748
   34   1HE   LYS   4          HE1       LYS   4  -6.611  -4.679   6.535
   35   2HE   LYS   4          HE2       LYS   4  -6.467  -3.301   5.426
   36   1HZ   LYS   4          HZ1       LYS   4  -8.801  -3.821   4.722
   37   2HZ   LYS   4          HZ2       LYS   4  -8.658  -3.247   6.315
   38   3HZ   LYS   4          HZ3       LYS   4  -8.896  -4.904   6.027
   39    H    TRP   5           HN       TRP   5  -2.139  -3.646   1.925
   40    HA   TRP   5           HA       TRP   5  -0.770  -5.920   0.518
   41   1HB   TRP   5          HB2       TRP   5  -0.016  -2.972   0.547
   42   2HB   TRP   5          HB1       TRP   5   0.795  -4.242  -0.369
   43    HD1  TRP   5           HD1      TRP   5  -2.609  -2.451  -0.158
   44    HE1  TRP   5           HE1      TRP   5  -3.734  -2.579  -2.471
   45    HE3  TRP   5           HE3      TRP   5   0.753  -5.409  -2.602
   46    HZ2  TRP   5           HZ2      TRP   5  -3.269  -3.784  -5.028
   47    HZ3  TRP   5           HZ3      TRP   5   0.390  -6.033  -4.975
   48    HH2  TRP   5           HH2      TRP   5  -1.613  -5.223  -6.189
   49    H    ILE   6           HN       ILE   6   1.704  -5.742   1.135
   50    HA   ILE   6           HA       ILE   6   2.223  -4.751   3.850
   51    HB   ILE   6           HB       ILE   6   1.161  -6.837   4.415
   52   1HG1  ILE   6          HG12      ILE   6   2.934  -8.116   5.452
   53   2HG1  ILE   6          HG11      ILE   6   4.123  -7.484   4.316
   54   1HG2  ILE   6          HG21      ILE   6   2.429  -8.941   3.242
   55   2HG2  ILE   6          HG22      ILE   6   2.514  -7.751   1.942
   56   3HG2  ILE   6          HG23      ILE   6   0.949  -8.218   2.608
   57   1HD1  ILE   6          HD11      ILE   6   2.784  -5.283   5.601
   58   2HD1  ILE   6          HD12      ILE   6   4.494  -5.710   5.649
   59   3HD1  ILE   6          HD13      ILE   6   3.378  -6.397   6.830
   60    H    CYS   7           HN       CYS   7   4.241  -3.901   3.669
   61    HA   CYS   7           HA       CYS   7   6.026  -4.480   1.487
   62   1HB   CYS   7          HB2       CYS   7   5.800  -2.379   2.919
   63   2HB   CYS   7          HB1       CYS   7   6.656  -3.252   4.191
   64    H    ILE   8           HN       ILE   8   6.575  -6.723   1.460
   65    HA   ILE   8           HA       ILE   8   7.281  -8.338   3.655
   66    HB   ILE   8           HB       ILE   8   6.894  -9.169   1.398
   67   1HG1  ILE   8          HG12      ILE   8   9.734  -9.860   1.589
   68   2HG1  ILE   8          HG11      ILE   8   8.847 -10.075   3.095
   69   1HG2  ILE   8          HG21      ILE   8   9.234  -8.696   0.017
   70   2HG2  ILE   8          HG22      ILE   8   8.921  -7.160   0.825
   71   3HG2  ILE   8          HG23      ILE   8   7.704  -7.857  -0.241
   72   1HD1  ILE   8          HD11      ILE   8   8.913 -12.026   1.325
   73   2HD1  ILE   8          HD12      ILE   8   7.664 -11.075   0.520
   74   3HD1  ILE   8          HD13      ILE   8   7.404 -11.660   2.164
   75    H    THR   9           HN       THR   9   9.036  -5.729   2.202
   76    HA   THR   9           HA       THR   9  11.665  -6.529   3.187
   77    HB   THR   9           HB       THR   9  10.452  -3.984   2.050
   78    HG1  THR   9           HG1      THR   9  10.588  -5.323   0.410
   79   1HG2  THR   9          HG21      THR   9  12.971  -3.504   1.599
   80   2HG2  THR   9          HG22      THR   9  13.259  -4.656   2.904
   81   3HG2  THR   9          HG23      THR   9  12.332  -3.188   3.214
   82    H    CYS  10           HN       CYS  10   8.969  -4.578   4.354
   83    HA   CYS  10           HA       CYS  10  10.592  -3.829   6.758
   84   1HB   CYS  10          HB1       CYS  10   8.432  -2.521   5.164
   85   2HB   CYS  10          HB2       CYS  10   8.668  -2.048   6.842
   86    H    GLY  11           HN       GLY  11   7.291  -4.715   5.708
   87   1HA   GLY  11          HA2       GLY  11   6.076  -6.478   6.932
   88   2HA   GLY  11          HA1       GLY  11   6.889  -5.943   8.402
   89    H    HIS  12           HN       HIS  12   5.774  -3.473   6.245
   90    HA   HIS  12           HA       HIS  12   3.686  -2.721   8.236
   91   1HB   HIS  12          HB1       HIS  12   5.433  -1.086   7.650
   92   2HB   HIS  12          HB2       HIS  12   5.039  -1.252   5.939
   93    HD1  HIS  12           HD1      HIS  12   2.825  -0.696   9.008
   94    HD2  HIS  12           HD2      HIS  12   3.577   0.984   5.267
   95    HE1  HIS  12           HE1      HIS  12   1.200   1.231   8.747
   96    H    ILE  13           HN       ILE  13   1.530  -2.803   7.683
   97    HA   ILE  13           HA       ILE  13   0.854  -3.831   4.984
   98    HB   ILE  13           HB       ILE  13  -0.603  -3.565   7.633
   99   1HG1  ILE  13          HG11      ILE  13  -0.408  -6.182   6.350
  100   2HG1  ILE  13          HG12      ILE  13   1.174  -5.465   6.650
  101   1HG2  ILE  13          HG21      ILE  13  -2.468  -4.797   6.580
  102   2HG2  ILE  13          HG22      ILE  13  -1.644  -4.714   5.022
  103   3HG2  ILE  13          HG23      ILE  13  -2.222  -3.237   5.794
  104   1HD1  ILE  13          HD11      ILE  13   0.700  -5.204   8.991
  105   2HD1  ILE  13          HD12      ILE  13   0.220  -6.848   8.566
  106   3HD1  ILE  13          HD13      ILE  13  -1.004  -5.592   8.749
  107    H    TYR  14           HN       TYR  14  -0.401  -2.688   3.532
  108    HA   TYR  14           HA       TYR  14  -1.030   0.154   4.242
  109   1HB   TYR  14          HB1       TYR  14   0.546  -0.168   2.404
  110   2HB   TYR  14          HB2       TYR  14  -0.544  -1.311   1.620
  111    HD1  TYR  14           HD1      TYR  14  -2.245  -0.557   0.149
  112    HD2  TYR  14           HD2      TYR  14  -0.249   2.241   2.731
  113    HE1  TYR  14           HE1      TYR  14  -3.368   1.323  -1.016
  114    HE2  TYR  14           HE2      TYR  14  -1.372   4.119   1.565
  115    HH   TYR  14           HH       TYR  14  -3.988   3.651  -0.577
  116    H    ASP  15           HN       ASP  15  -3.114   0.936   3.889
  117    HA   ASP  15           HA       ASP  15  -5.184  -1.096   3.107
  118   1HB   ASP  15          HB2       ASP  15  -4.913  -0.124   5.546
  119   2HB   ASP  15          HB1       ASP  15  -5.698   1.300   4.863
  120    H    GLU  16           HN       GLU  16  -5.771  -0.538   1.024
  121    HA   GLU  16           HA       GLU  16  -5.497   1.912  -0.288
  122   1HB   GLU  16          HB1       GLU  16  -7.660  -0.213  -0.497
  123   2HB   GLU  16          HB2       GLU  16  -7.351   1.009  -1.729
  124   1HG   GLU  16          HG2       GLU  16  -4.946   0.163  -1.782
  125   2HG   GLU  16          HG1       GLU  16  -5.496  -1.195  -0.801
  126    H    ALA  17           HN       ALA  17  -7.944   0.957   2.047
  127    HA   ALA  17           HA       ALA  17  -9.559   3.388   1.520
  128   1HB   ALA  17          HB1       ALA  17 -10.592   2.032   3.715
  129   2HB   ALA  17          HB2       ALA  17  -9.845   0.744   2.769
  130   3HB   ALA  17          HB3       ALA  17 -11.079   1.771   2.040
  131    H    LEU  18           HN       LEU  18  -6.729   3.050   3.002
  132    HA   LEU  18           HA       LEU  18  -7.088   5.290   4.785
  133   1HB   LEU  18          HB1       LEU  18  -8.258   3.277   5.897
  134   2HB   LEU  18          HB2       LEU  18  -6.643   2.602   6.115
  135    HG   LEU  18           HG       LEU  18  -6.452   5.270   6.985
  136   1HD1  LEU  18          HD11      LEU  18  -8.232   5.484   8.635
  137   2HD1  LEU  18          HD12      LEU  18  -8.895   3.917   8.169
  138   3HD1  LEU  18          HD13      LEU  18  -8.955   5.271   7.040
  139   1HD2  LEU  18          HD21      LEU  18  -5.204   3.502   8.005
  140   2HD2  LEU  18          HD22      LEU  18  -6.672   2.611   8.412
  141   3HD2  LEU  18          HD23      LEU  18  -6.289   4.112   9.255
  142    H    GLY  19           HN       GLY  19  -5.175   5.407   3.086
  143   1HA   GLY  19          HA1       GLY  19  -2.772   3.913   3.564
  144   2HA   GLY  19          HA2       GLY  19  -2.848   5.460   2.722
  145    H    ASP  20           HN       ASP  20  -1.279   6.660   3.725
  146    HA   ASP  20           HA       ASP  20  -1.034   6.593   6.682
  147   1HB   ASP  20          HB2       ASP  20   0.924   6.405   5.121
  148   2HB   ASP  20          HB1       ASP  20   0.565   8.026   4.527
  149    H    GLU  21           HN       GLU  21  -0.836   8.746   7.806
  150    HA   GLU  21           HA       GLU  21  -2.963  10.580   6.855
  151   1HB   GLU  21          HB2       GLU  21  -2.496   9.527   9.248
  152   2HB   GLU  21          HB1       GLU  21  -1.382  10.886   9.397
  153   1HG   GLU  21          HG2       GLU  21  -3.489  11.636  10.271
  154   2HG   GLU  21          HG1       GLU  21  -3.308  12.390   8.687
  155    H    ALA  22           HN       ALA  22   0.510  10.418   7.123
  156    HA   ALA  22           HA       ALA  22   0.868  13.337   6.895
  157   1HB   ALA  22          HB1       ALA  22   2.434  10.910   7.464
  158   2HB   ALA  22          HB2       ALA  22   2.671  12.555   8.054
  159   3HB   ALA  22          HB3       ALA  22   3.306  12.083   6.477
  160    H    GLU  23           HN       GLU  23   1.150  10.445   4.843
  161    HA   GLU  23           HA       GLU  23   2.352  11.712   2.574
  162   1HB   GLU  23          HB2       GLU  23   0.561   9.297   2.975
  163   2HB   GLU  23          HB1       GLU  23   1.355   9.668   1.449
  164   1HG   GLU  23          HG1       GLU  23   2.977   9.559   3.974
  165   2HG   GLU  23          HG2       GLU  23   2.540   8.061   3.152
  166    H    GLY  24           HN       GLY  24  -0.956  11.573   3.753
  167   1HA   GLY  24          HA2       GLY  24  -2.671  13.119   3.082
  168   2HA   GLY  24          HA1       GLY  24  -1.745  13.473   1.624
  169    H    PHE  25           HN       PHE  25  -2.304  10.165   2.643
  170    HA   PHE  25           HA       PHE  25  -3.534   9.516   0.097
  171   1HB   PHE  25          HB2       PHE  25  -2.458   8.216   2.465
  172   2HB   PHE  25          HB1       PHE  25  -3.978   7.459   1.997
  173    HD1  PHE  25           HD1      PHE  25  -3.853   7.926  -0.986
  174    HD2  PHE  25           HD2      PHE  25  -0.903   6.554   1.810
  175    HE1  PHE  25           HE1      PHE  25  -2.692   6.706  -2.808
  176    HE2  PHE  25           HE2      PHE  25   0.248   5.332  -0.003
  177    HZ   PHE  25           HZ       PHE  25  -0.637   5.410  -2.315
  178    H    THR  26           HN       THR  26  -5.424  10.989   0.167
  179    HA   THR  26           HA       THR  26  -7.420  11.120   2.105
  180    HB   THR  26           HB       THR  26  -7.179  12.401  -0.033
  181    HG1  THR  26           HG1      THR  26  -9.703  11.134   0.174
  182   1HG2  THR  26          HG21      THR  26  -6.774  10.280  -1.385
  183   2HG2  THR  26          HG22      THR  26  -7.864  11.458  -2.118
  184   3HG2  THR  26          HG23      THR  26  -8.517  10.022  -1.329
  185    HA   PRO  27           HA       PRO  27  -9.099   7.069   2.488
  186   1HB   PRO  27          HB2       PRO  27 -11.762   8.391   2.685
  187   2HB   PRO  27          HB1       PRO  27 -10.954   7.319   3.842
  188   1HG   PRO  27          HG1       PRO  27 -11.179   9.963   4.247
  189   2HG   PRO  27          HG2       PRO  27  -9.786   9.032   4.810
  190   1HD   PRO  27          HD1       PRO  27 -10.002  10.918   2.526
  191   2HD   PRO  27          HD2       PRO  27  -8.610  10.549   3.566
  192    H    GLY  28           HN       GLY  28  -9.051   6.052   0.492
  193   1HA   GLY  28          HA2       GLY  28 -10.884   5.164  -1.094
  194   2HA   GLY  28          HA1       GLY  28 -11.111   6.862  -1.515
  195    H    THR  29           HN       THR  29  -8.088   5.049  -0.954
  196    HA   THR  29           HA       THR  29  -7.354   5.596  -3.811
  197    HB   THR  29           HB       THR  29  -5.369   5.670  -1.544
  198    HG1  THR  29           HG1      THR  29  -6.690   7.155  -0.762
  199   1HG2  THR  29          HG21      THR  29  -4.378   5.823  -3.696
  200   2HG2  THR  29          HG22      THR  29  -4.456   7.490  -3.123
  201   3HG2  THR  29          HG23      THR  29  -5.641   6.901  -4.290
  202    H    ARG  30           HN       ARG  30  -6.873   3.697  -4.824
  203    HA   ARG  30           HA       ARG  30  -6.078   1.343  -3.163
  204   1HB   ARG  30          HB1       ARG  30  -6.853   0.073  -5.130
  205   2HB   ARG  30          HB2       ARG  30  -8.086   1.236  -4.645
  206   1HG   ARG  30          HG2       ARG  30  -6.472   2.669  -6.413
  207   2HG   ARG  30          HG1       ARG  30  -6.582   1.067  -7.141
  208   1HD   ARG  30          HD1       ARG  30  -8.991   2.651  -6.178
  209   2HD   ARG  30          HD2       ARG  30  -8.449   2.586  -7.866
  210    HE   ARG  30           HE       ARG  30  -8.698  -0.063  -6.682
  211   1HH1  ARG  30          HH21      ARG  30 -10.432   2.550  -8.192
  212   2HH1  ARG  30          HH22      ARG  30 -11.695   1.522  -8.774
  213   1HH2  ARG  30          HH11      ARG  30 -10.349  -1.378  -7.450
  214   2HH2  ARG  30          HH12      ARG  30 -11.650  -0.684  -8.358
  215    H    PHE  31           HN       PHE  31  -4.222   0.100  -3.771
  216    HA   PHE  31           HA       PHE  31  -1.869   1.401  -4.508
  217   1HB   PHE  31          HB1       PHE  31  -2.793  -1.208  -3.958
  218   2HB   PHE  31          HB2       PHE  31  -1.953  -1.331  -5.504
  219    HD1  PHE  31           HD1      PHE  31  -1.490   0.504  -2.256
  220    HD2  PHE  31           HD2      PHE  31   0.308  -1.850  -5.366
  221    HE1  PHE  31           HE1      PHE  31   0.689   0.611  -1.077
  222    HE2  PHE  31           HE2      PHE  31   2.487  -1.743  -4.188
  223    HZ   PHE  31           HZ       PHE  31   2.677  -0.513  -2.043
  224    H    GLU  32           HN       GLU  32  -4.108  -0.345  -6.692
  225    HA   GLU  32           HA       GLU  32  -2.666  -0.132  -9.099
  226   1HB   GLU  32          HB1       GLU  32  -4.733  -1.405  -8.795
  227   2HB   GLU  32          HB2       GLU  32  -5.642   0.082  -8.528
  228   1HG   GLU  32          HG1       GLU  32  -4.107   0.158 -11.012
  229   2HG   GLU  32          HG2       GLU  32  -5.253  -1.182 -10.982
  230    H    ASP  33           HN       ASP  33  -5.022   2.197  -7.735
  231    HA   ASP  33           HA       ASP  33  -4.718   4.164  -9.806
  232   1HB   ASP  33          HB1       ASP  33  -6.610   4.012  -8.217
  233   2HB   ASP  33          HB2       ASP  33  -5.522   4.383  -6.880
  234    H    ILE  34           HN       ILE  34  -2.795   3.339  -7.020
  235    HA   ILE  34           HA       ILE  34  -1.378   5.896  -6.864
  236    HB   ILE  34           HB       ILE  34  -1.015   3.118  -5.691
  237   1HG1  ILE  34          HG12      ILE  34  -1.703   5.638  -4.203
  238   2HG1  ILE  34          HG11      ILE  34  -2.960   4.766  -5.079
  239   1HG2  ILE  34          HG21      ILE  34   0.690   4.013  -4.240
  240   2HG2  ILE  34          HG22      ILE  34   0.450   5.641  -4.875
  241   3HG2  ILE  34          HG23      ILE  34   1.161   4.391  -5.897
  242   1HD1  ILE  34          HD11      ILE  34  -2.803   2.893  -3.707
  243   2HD1  ILE  34          HD12      ILE  34  -2.446   4.174  -2.553
  244   3HD1  ILE  34          HD13      ILE  34  -1.132   3.233  -3.259
  245    HA   PRO  35           HA       PRO  35   1.140   4.540 -10.370
  246   1HB   PRO  35          HB1       PRO  35   2.498   6.931 -10.633
  247   2HB   PRO  35          HB2       PRO  35   0.898   6.628 -11.334
  248   1HG   PRO  35          HG1       PRO  35   1.639   8.090  -8.850
  249   2HG   PRO  35          HG2       PRO  35   0.379   8.450 -10.037
  250   1HD   PRO  35          HD1       PRO  35  -0.123   7.299  -7.624
  251   2HD   PRO  35          HD2       PRO  35  -1.121   7.015  -9.065
  252    H    ASP  36           HN       ASP  36   3.738   5.233 -10.707
  253    HA   ASP  36           HA       ASP  36   5.105   3.851  -8.558
  254   1HB   ASP  36          HB1       ASP  36   5.579   4.025 -11.116
  255   2HB   ASP  36          HB2       ASP  36   6.377   5.546 -10.715
  256    H    ASP  37           HN       ASP  37   4.294   7.174  -9.117
  257    HA   ASP  37           HA       ASP  37   6.394   8.600  -7.914
  258   1HB   ASP  37          HB2       ASP  37   4.242   9.420  -9.008
  259   2HB   ASP  37          HB1       ASP  37   3.420   9.057  -7.489
  260    H    TRP  38           HN       TRP  38   3.886   6.623  -6.411
  261    HA   TRP  38           HA       TRP  38   4.565   7.475  -3.683
  262   1HB   TRP  38          HB1       TRP  38   2.282   6.867  -4.295
  263   2HB   TRP  38          HB2       TRP  38   2.819   5.300  -4.898
  264    HD1  TRP  38           HD1      TRP  38   2.196   7.222  -1.663
  265    HE1  TRP  38           HE1      TRP  38   2.152   5.553   0.301
  266    HE3  TRP  38           HE3      TRP  38   3.673   2.978  -4.084
  267    HZ2  TRP  38           HZ2      TRP  38   2.675   2.781   0.780
  268    HZ3  TRP  38           HZ3      TRP  38   3.890   0.838  -2.853
  269    HH2  TRP  38           HH2      TRP  38   3.392   0.735  -0.426
  270    H    CYS  39           HN       CYS  39   5.373   5.893  -2.072
  271    HA   CYS  39           HA       CYS  39   6.637   3.419  -3.012
  272   1HB   CYS  39          HB2       CYS  39   8.935   4.247  -2.465
  273   2HB   CYS  39          HB1       CYS  39   8.204   5.145  -3.788
  274    HG   CYS  39           HG       CYS  39   8.485   6.241  -0.877
  275    H    CYS  40           HN       CYS  40   8.516   3.184  -0.925
  276    HA   CYS  40           HA       CYS  40   6.704   2.714   1.349
  277   1HB   CYS  40          HB1       CYS  40   8.969   1.519   0.217
  278   2HB   CYS  40          HB2       CYS  40   9.555   2.193   1.738
  279    HA   PRO  41           HA       PRO  41   7.919   6.226   3.677
  280   1HB   PRO  41          HB1       PRO  41   8.001   4.732   6.190
  281   2HB   PRO  41          HB2       PRO  41   6.778   5.882   5.628
  282   1HG   PRO  41          HG2       PRO  41   6.358   3.198   5.884
  283   2HG   PRO  41          HG1       PRO  41   5.458   4.246   4.780
  284   1HD   PRO  41          HD2       PRO  41   7.662   2.331   4.200
  285   2HD   PRO  41          HD1       PRO  41   6.245   2.766   3.219
  286    H    ASP  42           HN       ASP  42   9.817   3.292   4.014
  287    HA   ASP  42           HA       ASP  42  12.183   4.991   4.699
  288   1HB   ASP  42          HB2       ASP  42  11.109   2.507   6.057
  289   2HB   ASP  42          HB1       ASP  42  12.787   3.014   6.253
  290    H    CYS  43           HN       CYS  43  11.277   3.628   2.163
  291    HA   CYS  43           HA       CYS  43  13.789   2.074   1.723
  292   1HB   CYS  43          HB2       CYS  43  10.999   1.219   0.882
  293   2HB   CYS  43          HB1       CYS  43  12.486   0.321   0.593
  294    H    GLY  44           HN       GLY  44  10.883   3.478   0.184
  295   1HA   GLY  44          HA1       GLY  44  10.791   4.936  -1.679
  296   2HA   GLY  44          HA2       GLY  44  12.550   4.860  -1.783
  297    H    ALA  45           HN       ALA  45  10.583   1.961  -1.650
  298    HA   ALA  45           HA       ALA  45  11.525   1.275  -4.397
  299   1HB   ALA  45          HB1       ALA  45  10.193  -0.510  -2.340
  300   2HB   ALA  45          HB2       ALA  45  11.912  -0.126  -2.259
  301   3HB   ALA  45          HB3       ALA  45  11.266  -0.987  -3.657
  302    H    THR  46           HN       THR  46   9.697  -0.510  -5.258
  303    HA   THR  46           HA       THR  46   7.178   1.101  -5.451
  304    HB   THR  46           HB       THR  46   6.960   0.017  -7.639
  305    HG1  THR  46           HG1      THR  46   8.105  -1.692  -8.158
  306   1HG2  THR  46          HG21      THR  46   8.831   0.998  -8.742
  307   2HG2  THR  46          HG22      THR  46   9.871   0.770  -7.336
  308   3HG2  THR  46          HG23      THR  46   8.580   1.971  -7.292
  309    H    LYS  47           HN       LYS  47   5.605  -0.959  -6.569
  310    HA   LYS  47           HA       LYS  47   4.537  -2.263  -4.287
  311   1HB   LYS  47          HB2       LYS  47   3.363  -1.857  -6.427
  312   2HB   LYS  47          HB1       LYS  47   4.445  -2.986  -7.242
  313   1HG   LYS  47          HG2       LYS  47   3.630  -4.691  -5.445
  314   2HG   LYS  47          HG1       LYS  47   2.297  -3.562  -5.210
  315   1HD   LYS  47          HD2       LYS  47   3.090  -4.665  -7.917
  316   2HD   LYS  47          HD1       LYS  47   1.843  -5.390  -6.903
  317   1HE   LYS  47          HE1       LYS  47   0.693  -3.119  -6.873
  318   2HE   LYS  47          HE2       LYS  47   1.845  -2.610  -8.123
  319   1HZ   LYS  47          HZ1       LYS  47  -0.329  -3.668  -8.902
  320   2HZ   LYS  47          HZ2       LYS  47   0.316  -5.136  -8.343
  321   3HZ   LYS  47          HZ3       LYS  47   1.109  -4.274  -9.572
  322    H    GLU  48           HN       GLU  48   7.299  -3.063  -6.240
  323    HA   GLU  48           HA       GLU  48   7.492  -5.848  -6.087
  324   1HB   GLU  48          HB1       GLU  48   9.583  -3.677  -5.689
  325   2HB   GLU  48          HB2       GLU  48   9.970  -5.364  -6.023
  326   1HG   GLU  48          HG2       GLU  48   8.066  -3.902  -7.830
  327   2HG   GLU  48          HG1       GLU  48   9.802  -3.648  -8.013
  328    H    ASP  49           HN       ASP  49   8.520  -3.498  -3.580
  329    HA   ASP  49           HA       ASP  49   9.259  -5.551  -1.662
  330   1HB   ASP  49          HB2       ASP  49   8.900  -2.577  -1.781
  331   2HB   ASP  49          HB1       ASP  49   8.967  -3.330  -0.188
  332    H    TYR  50           HN       TYR  50   6.274  -4.015  -2.583
  333    HA   TYR  50           HA       TYR  50   4.908  -4.792  -0.073
  334   1HB   TYR  50          HB1       TYR  50   4.443  -3.080  -2.482
  335   2HB   TYR  50          HB2       TYR  50   3.026  -3.681  -1.630
  336    HD1  TYR  50           HD1      TYR  50   5.820  -1.371  -1.566
  337    HD2  TYR  50           HD2      TYR  50   2.750  -3.186   0.830
  338    HE1  TYR  50           HE1      TYR  50   6.146   0.370   0.169
  339    HE2  TYR  50           HE2      TYR  50   3.078  -1.443   2.568
  340    HH   TYR  50           HH       TYR  50   4.847   1.400   2.006
  341    H    VAL  51           HN       VAL  51   3.501  -6.513   0.039
  342    HA   VAL  51           HA       VAL  51   2.894  -7.981  -2.508
  343    HB   VAL  51           HB       VAL  51   3.579  -8.999   0.275
  344   1HG1  VAL  51          HG21      VAL  51   2.634 -10.448  -2.211
  345   2HG1  VAL  51          HG22      VAL  51   1.899 -10.473  -0.608
  346   3HG1  VAL  51          HG23      VAL  51   3.452 -11.264  -0.879
  347   1HG2  VAL  51          HG11      VAL  51   5.034  -8.665  -2.284
  348   2HG2  VAL  51          HG12      VAL  51   5.282 -10.208  -1.467
  349   3HG2  VAL  51          HG13      VAL  51   5.655  -8.699  -0.635
  350    H    LEU  52           HN       LEU  52   0.821  -9.167  -2.434
  351    HA   LEU  52           HA       LEU  52  -1.292  -7.634  -1.175
  352   1HB   LEU  52          HB2       LEU  52  -1.076  -9.142  -3.373
  353   2HB   LEU  52          HB1       LEU  52  -1.654 -10.397  -2.286
  354    HG   LEU  52           HG       LEU  52  -3.550  -9.320  -3.413
  355   1HD1  LEU  52          HD11      LEU  52  -3.503  -8.269  -0.586
  356   2HD1  LEU  52          HD12      LEU  52  -3.594  -9.997  -0.925
  357   3HD1  LEU  52          HD13      LEU  52  -4.871  -8.919  -1.489
  358   1HD2  LEU  52          HD21      LEU  52  -3.368  -6.737  -2.093
  359   2HD2  LEU  52          HD22      LEU  52  -3.616  -7.100  -3.801
  360   3HD2  LEU  52          HD23      LEU  52  -1.980  -7.011  -3.146
  361    H    TYR  53           HN       TYR  53  -1.212  -7.771   1.072
  362    HA   TYR  53           HA       TYR  53  -0.506  -9.965   2.676
  363   1HB   TYR  53          HB2       TYR  53  -1.076  -7.511   3.242
  364   2HB   TYR  53          HB1       TYR  53  -2.760  -8.035   3.289
  365    HD1  TYR  53           HD1      TYR  53  -3.635  -8.970   5.253
  366    HD2  TYR  53           HD2      TYR  53   0.619  -8.902   4.662
  367    HE1  TYR  53           HE1      TYR  53  -3.302  -9.839   7.551
  368    HE2  TYR  53           HE2      TYR  53   0.952  -9.772   6.961
  369    HH   TYR  53           HH       TYR  53  -0.555 -11.209   8.617
  370    H    GLU  54           HN       GLU  54  -1.526 -11.865   3.230
  371    HA   GLU  54           HA       GLU  54  -4.164 -12.431   1.971
  372   1HB   GLU  54          HB2       GLU  54  -2.195 -13.914   1.614
  373   2HB   GLU  54          HB1       GLU  54  -2.107 -14.196   3.353
  374   1HG   GLU  54          HG1       GLU  54  -3.488 -15.952   2.978
  375   2HG   GLU  54          HG2       GLU  54  -4.759 -14.748   2.763
  376    H    GLU  55           HN       GLU  55  -5.821 -11.797   3.338
  377    HA   GLU  55           HA       GLU  55  -5.560 -12.447   6.250
  378   1HB   GLU  55          HB2       GLU  55  -6.106 -10.087   4.980
  379   2HB   GLU  55          HB1       GLU  55  -7.739 -10.696   5.248
  380   1HG   GLU  55          HG1       GLU  55  -6.973 -11.146   7.671
  381   2HG   GLU  55          HG2       GLU  55  -5.601 -10.103   7.296
  382    H    LYS  56           HN       LYS  56  -6.416 -14.541   6.384
  383    HA   LYS  56           HA       LYS  56  -9.308 -14.815   5.972
  384   1HB   LYS  56          HB2       LYS  56  -8.346 -15.165   3.711
  385   2HB   LYS  56          HB1       LYS  56  -7.294 -16.425   4.356
  386   1HG   LYS  56          HG2       LYS  56  -8.969 -17.960   4.406
  387   2HG   LYS  56          HG1       LYS  56 -10.141 -16.792   5.015
  388   1HD   LYS  56          HD2       LYS  56 -10.519 -15.905   2.808
  389   2HD   LYS  56          HD1       LYS  56  -9.169 -16.827   2.147
  390   1HE   LYS  56          HE1       LYS  56 -11.357 -18.347   3.523
  391   2HE   LYS  56          HE2       LYS  56 -11.661 -17.727   1.890
  392   1HZ   LYS  56          HZ1       LYS  56  -9.388 -19.427   2.779
  393   2HZ   LYS  56          HZ2       LYS  56  -9.462 -18.675   1.257
  394   3HZ   LYS  56          HZ3       LYS  56 -10.612 -19.852   1.681
  Start of MODEL    5
    1    H    ALA   1           HT1      ALA   1 -15.379  -4.189   1.160
    2    HA   ALA   1           HA       ALA   1 -15.021  -3.225  -1.094
    3   1HB   ALA   1          HB1       ALA   1 -14.604  -1.392   1.296
    4   2HB   ALA   1          HB2       ALA   1 -16.147  -2.151   0.899
    5   3HB   ALA   1          HB3       ALA   1 -15.426  -0.986  -0.211
    6    H    TYR   2           HN       TYR   2 -12.527  -2.290   1.310
    7    HA   TYR   2           HA       TYR   2 -10.778  -1.397  -0.939
    8   1HB   TYR   2          HB2       TYR   2 -10.850  -0.951   2.062
    9   2HB   TYR   2          HB1       TYR   2  -9.515  -0.392   1.056
   10    HD1  TYR   2           HD1      TYR   2 -10.707   0.565  -1.367
   11    HD2  TYR   2           HD2      TYR   2 -12.205   0.860   2.647
   12    HE1  TYR   2           HE1      TYR   2 -12.026   2.565  -2.008
   13    HE2  TYR   2           HE2      TYR   2 -13.526   2.859   2.008
   14    HH   TYR   2           HH       TYR   2 -13.062   4.733  -0.219
   15    H    LEU   3           HN       LEU   3  -8.848  -2.432  -1.351
   16    HA   LEU   3           HA       LEU   3  -8.394  -5.066  -0.150
   17   1HB   LEU   3          HB1       LEU   3  -7.427  -3.391  -2.403
   18   2HB   LEU   3          HB2       LEU   3  -6.254  -4.543  -1.765
   19    HG   LEU   3           HG       LEU   3  -7.978  -6.345  -1.991
   20   1HD1  LEU   3          HD11      LEU   3  -9.526  -4.140  -3.388
   21   2HD1  LEU   3          HD12      LEU   3  -9.976  -4.921  -1.871
   22   3HD1  LEU   3          HD13      LEU   3  -9.978  -5.844  -3.374
   23   1HD2  LEU   3          HD21      LEU   3  -7.281  -6.755  -4.119
   24   2HD2  LEU   3          HD22      LEU   3  -6.338  -5.279  -3.909
   25   3HD2  LEU   3          HD23      LEU   3  -7.902  -5.218  -4.719
   26    H    LYS   4           HN       LYS   4  -5.910  -5.509   0.322
   27    HA   LYS   4           HA       LYS   4  -4.672  -3.274   1.849
   28   1HB   LYS   4          HB1       LYS   4  -5.484  -5.986   2.958
   29   2HB   LYS   4          HB2       LYS   4  -4.517  -4.801   3.835
   30   1HG   LYS   4          HG1       LYS   4  -6.401  -3.151   3.511
   31   2HG   LYS   4          HG2       LYS   4  -7.368  -4.475   2.860
   32   1HD   LYS   4          HD1       LYS   4  -6.760  -5.718   5.054
   33   2HD   LYS   4          HD2       LYS   4  -6.300  -4.127   5.659
   34   1HE   LYS   4          HE1       LYS   4  -8.520  -3.277   5.402
   35   2HE   LYS   4          HE2       LYS   4  -9.007  -4.654   4.396
   36   1HZ   LYS   4          HZ1       LYS   4  -9.674  -4.832   6.789
   37   2HZ   LYS   4          HZ2       LYS   4  -8.024  -4.917   7.190
   38   3HZ   LYS   4          HZ3       LYS   4  -8.729  -6.128   6.228
   39    H    TRP   5           HN       TRP   5  -2.438  -3.400   1.811
   40    HA   TRP   5           HA       TRP   5  -1.216  -5.865   0.596
   41   1HB   TRP   5          HB2       TRP   5  -0.310  -2.963   0.515
   42   2HB   TRP   5          HB1       TRP   5   0.427  -4.303  -0.359
   43    HD1  TRP   5           HD1      TRP   5  -3.072  -2.659  -0.097
   44    HE1  TRP   5           HE1      TRP   5  -4.116  -2.641  -2.438
   45    HE3  TRP   5           HE3      TRP   5   0.591  -5.076  -2.702
   46    HZ2  TRP   5           HZ2      TRP   5  -3.494  -3.551  -5.087
   47    HZ3  TRP   5           HZ3      TRP   5   0.339  -5.490  -5.131
   48    HH2  TRP   5           HH2      TRP   5  -1.696  -4.733  -6.325
   49    H    ILE   6           HN       ILE   6   1.305  -5.724   1.150
   50    HA   ILE   6           HA       ILE   6   1.859  -4.658   3.825
   51    HB   ILE   6           HB       ILE   6   0.601  -6.839   4.056
   52   1HG1  ILE   6          HG11      ILE   6   2.029  -5.871   5.836
   53   2HG1  ILE   6          HG12      ILE   6   1.992  -7.630   5.879
   54   1HG2  ILE   6          HG21      ILE   6   1.601  -8.895   3.492
   55   2HG2  ILE   6          HG22      ILE   6   3.193  -8.165   3.287
   56   3HG2  ILE   6          HG23      ILE   6   1.930  -7.875   2.091
   57   1HD1  ILE   6          HD11      ILE   6   4.125  -7.199   4.230
   58   2HD1  ILE   6          HD12      ILE   6   4.249  -7.446   5.968
   59   3HD1  ILE   6          HD13      ILE   6   4.237  -5.809   5.309
   60    H    CYS   7           HN       CYS   7   3.867  -3.807   3.586
   61    HA   CYS   7           HA       CYS   7   5.661  -4.457   1.446
   62   1HB   CYS   7          HB2       CYS   7   5.424  -2.372   2.996
   63   2HB   CYS   7          HB1       CYS   7   6.440  -3.274   4.119
   64    H    ILE   8           HN       ILE   8   6.020  -6.765   1.494
   65    HA   ILE   8           HA       ILE   8   6.695  -8.368   3.700
   66    HB   ILE   8           HB       ILE   8   7.887  -9.738   1.947
   67   1HG1  ILE   8          HG11      ILE   8   7.080  -7.670  -0.070
   68   2HG1  ILE   8          HG12      ILE   8   8.612  -7.477   0.781
   69   1HG2  ILE   8          HG21      ILE   8   5.303  -8.573   0.891
   70   2HG2  ILE   8          HG22      ILE   8   5.357  -9.666   2.273
   71   3HG2  ILE   8          HG23      ILE   8   5.908 -10.217   0.691
   72   1HD1  ILE   8          HD11      ILE   8   9.579  -9.204  -0.333
   73   2HD1  ILE   8          HD12      ILE   8   8.260  -8.998  -1.486
   74   3HD1  ILE   8          HD13      ILE   8   8.134 -10.209  -0.209
   75    H    THR   9           HN       THR   9   8.599  -5.925   2.093
   76    HA   THR   9           HA       THR   9  11.196  -6.769   3.062
   77    HB   THR   9           HB       THR   9  10.014  -4.146   2.073
   78    HG1  THR   9           HG1      THR   9  10.159  -5.275   0.312
   79   1HG2  THR   9          HG21      THR   9  12.729  -4.040   1.604
   80   2HG2  THR   9          HG22      THR   9  12.651  -4.778   3.204
   81   3HG2  THR   9          HG23      THR   9  11.896  -3.210   2.918
   82    H    CYS  10           HN       CYS  10   8.569  -4.802   4.359
   83    HA   CYS  10           HA       CYS  10  10.244  -4.195   6.762
   84   1HB   CYS  10          HB2       CYS  10   8.023  -2.827   5.306
   85   2HB   CYS  10          HB1       CYS  10   8.317  -2.434   6.994
   86    H    GLY  11           HN       GLY  11   6.886  -4.992   5.795
   87   1HA   GLY  11          HA2       GLY  11   5.791  -6.896   6.968
   88   2HA   GLY  11          HA1       GLY  11   6.596  -6.359   8.439
   89    H    HIS  12           HN       HIS  12   5.535  -3.690   6.629
   90    HA   HIS  12           HA       HIS  12   3.328  -3.234   8.555
   91   1HB   HIS  12          HB1       HIS  12   5.302  -1.704   7.170
   92   2HB   HIS  12          HB2       HIS  12   3.726  -1.139   6.617
   93    HD1  HIS  12           HD1      HIS  12   5.297  -2.061   9.983
   94    HD2  HIS  12           HD2      HIS  12   2.704   0.758   8.334
   95    HE1  HIS  12           HE1      HIS  12   4.658  -0.488  11.863
   96    H    ILE  13           HN       ILE  13   1.191  -3.361   7.957
   97    HA   ILE  13           HA       ILE  13   0.584  -4.238   5.197
   98    HB   ILE  13           HB       ILE  13  -0.990  -4.040   7.790
   99   1HG1  ILE  13          HG12      ILE  13  -0.113  -6.500   6.263
  100   2HG1  ILE  13          HG11      ILE  13   0.890  -5.759   7.509
  101   1HG2  ILE  13          HG21      ILE  13  -2.584  -3.816   5.997
  102   2HG2  ILE  13          HG22      ILE  13  -2.655  -5.492   6.543
  103   3HG2  ILE  13          HG23      ILE  13  -1.792  -5.083   5.060
  104   1HD1  ILE  13          HD11      ILE  13  -1.436  -7.472   7.810
  105   2HD1  ILE  13          HD12      ILE  13  -1.671  -5.939   8.649
  106   3HD1  ILE  13          HD13      ILE  13  -0.276  -6.948   9.030
  107    H    TYR  14           HN       TYR  14  -0.146  -2.799   3.696
  108    HA   TYR  14           HA       TYR  14  -0.917  -0.062   4.472
  109   1HB   TYR  14          HB1       TYR  14   0.492  -0.366   2.536
  110   2HB   TYR  14          HB2       TYR  14  -0.575  -1.603   1.874
  111    HD1  TYR  14           HD1      TYR  14  -0.502   2.010   2.847
  112    HD2  TYR  14           HD2      TYR  14  -2.276  -1.003   0.347
  113    HE1  TYR  14           HE1      TYR  14  -1.765   3.764   1.626
  114    HE2  TYR  14           HE2      TYR  14  -3.536   0.748  -0.870
  115    HH   TYR  14           HH       TYR  14  -4.354   3.288  -0.105
  116    H    ASP  15           HN       ASP  15  -3.018   0.604   4.690
  117    HA   ASP  15           HA       ASP  15  -5.188  -1.291   3.867
  118   1HB   ASP  15          HB2       ASP  15  -4.766  -0.491   6.303
  119   2HB   ASP  15          HB1       ASP  15  -5.394   1.064   5.760
  120    H    GLU  16           HN       GLU  16  -6.002  -0.656   1.886
  121    HA   GLU  16           HA       GLU  16  -5.698   1.825   0.612
  122   1HB   GLU  16          HB2       GLU  16  -7.586  -0.494   0.506
  123   2HB   GLU  16          HB1       GLU  16  -8.026   0.949  -0.402
  124   1HG   GLU  16          HG2       GLU  16  -6.749  -0.171  -1.986
  125   2HG   GLU  16          HG1       GLU  16  -5.512   0.822  -1.215
  126    H    ALA  17           HN       ALA  17  -7.883   0.928   3.191
  127    HA   ALA  17           HA       ALA  17  -9.578   3.324   2.839
  128   1HB   ALA  17          HB1       ALA  17 -10.923   2.276   4.478
  129   2HB   ALA  17          HB2       ALA  17  -9.549   1.432   5.191
  130   3HB   ALA  17          HB3       ALA  17 -10.198   0.907   3.637
  131    H    LEU  18           HN       LEU  18  -6.527   3.149   3.777
  132    HA   LEU  18           HA       LEU  18  -6.582   5.504   5.426
  133   1HB   LEU  18          HB1       LEU  18  -7.436   3.407   6.828
  134   2HB   LEU  18          HB2       LEU  18  -5.709   3.071   6.961
  135    HG   LEU  18           HG       LEU  18  -5.802   5.767   7.499
  136   1HD1  LEU  18          HD21      LEU  18  -7.670   6.304   8.808
  137   2HD1  LEU  18          HD22      LEU  18  -8.085   4.612   9.083
  138   3HD1  LEU  18          HD23      LEU  18  -8.389   5.351   7.510
  139   1HD2  LEU  18          HD11      LEU  18  -5.474   3.259   8.977
  140   2HD2  LEU  18          HD12      LEU  18  -6.051   4.578   9.996
  141   3HD2  LEU  18          HD13      LEU  18  -4.548   4.756   9.090
  142    H    GLY  19           HN       GLY  19  -5.073   5.357   3.329
  143   1HA   GLY  19          HA1       GLY  19  -2.577   3.933   3.585
  144   2HA   GLY  19          HA2       GLY  19  -2.906   5.229   2.439
  145    H    ASP  20           HN       ASP  20  -1.191   6.588   2.725
  146    HA   ASP  20           HA       ASP  20  -0.120   7.164   5.401
  147   1HB   ASP  20          HB2       ASP  20   1.179   6.875   3.230
  148   2HB   ASP  20          HB1       ASP  20   0.503   8.417   2.703
  149    H    GLU  21           HN       GLU  21  -0.327   9.149   6.485
  150    HA   GLU  21           HA       GLU  21  -2.588  10.865   5.633
  151   1HB   GLU  21          HB1       GLU  21  -0.847  10.589   8.103
  152   2HB   GLU  21          HB2       GLU  21  -2.062  11.858   7.947
  153   1HG   GLU  21          HG1       GLU  21  -2.683   8.914   7.595
  154   2HG   GLU  21          HG2       GLU  21  -2.858   9.760   9.133
  155    H    ALA  22           HN       ALA  22   0.899  10.886   5.744
  156    HA   ALA  22           HA       ALA  22   1.111  13.813   5.459
  157   1HB   ALA  22          HB1       ALA  22   3.504  13.304   5.483
  158   2HB   ALA  22          HB2       ALA  22   3.175  11.595   5.195
  159   3HB   ALA  22          HB3       ALA  22   2.713  12.335   6.727
  160    H    GLU  23           HN       GLU  23   1.532  10.907   3.431
  161    HA   GLU  23           HA       GLU  23   2.470  12.265   1.086
  162   1HB   GLU  23          HB1       GLU  23   2.338   9.748   1.853
  163   2HB   GLU  23          HB2       GLU  23   0.799   9.777   0.997
  164   1HG   GLU  23          HG1       GLU  23   3.291  10.854  -0.306
  165   2HG   GLU  23          HG2       GLU  23   2.964   9.122  -0.316
  166    H    GLY  24           HN       GLY  24  -0.759  11.596   2.353
  167   1HA   GLY  24          HA2       GLY  24  -2.603  13.113   1.759
  168   2HA   GLY  24          HA1       GLY  24  -1.875  13.290   0.163
  169    H    PHE  25           HN       PHE  25  -2.110  10.162   1.752
  170    HA   PHE  25           HA       PHE  25  -3.527   9.029  -0.515
  171   1HB   PHE  25          HB2       PHE  25  -2.262   8.211   2.019
  172   2HB   PHE  25          HB1       PHE  25  -3.647   7.215   1.571
  173    HD1  PHE  25           HD1      PHE  25  -0.979   8.966  -0.391
  174    HD2  PHE  25           HD2      PHE  25  -2.949   5.263   0.505
  175    HE1  PHE  25           HE1      PHE  25   0.412   7.817  -2.097
  176    HE2  PHE  25           HE2      PHE  25  -1.563   4.108  -1.198
  177    HZ   PHE  25           HZ       PHE  25   0.116   5.384  -2.502
  178    H    THR  26           HN       THR  26  -5.476  10.434  -0.466
  179    HA   THR  26           HA       THR  26  -7.277  10.800   1.623
  180    HB   THR  26           HB       THR  26  -7.332  11.728  -0.696
  181    HG1  THR  26           HG1      THR  26  -9.461  11.974  -0.610
  182   1HG2  THR  26          HG21      THR  26  -7.244   9.055  -1.432
  183   2HG2  THR  26          HG22      THR  26  -7.563  10.410  -2.513
  184   3HG2  THR  26          HG23      THR  26  -8.905   9.524  -1.793
  185    HA   PRO  27           HA       PRO  27  -8.830   6.873   2.822
  186   1HB   PRO  27          HB1       PRO  27 -11.548   7.575   3.073
  187   2HB   PRO  27          HB2       PRO  27 -10.322   7.712   4.343
  188   1HG   PRO  27          HG1       PRO  27 -11.434   9.789   2.548
  189   2HG   PRO  27          HG2       PRO  27 -10.847   9.926   4.212
  190   1HD   PRO  27          HD2       PRO  27  -9.439  10.820   2.080
  191   2HD   PRO  27          HD1       PRO  27  -8.661  10.200   3.551
  192    H    GLY  28           HN       GLY  28  -8.868   5.398   1.171
  193   1HA   GLY  28          HA2       GLY  28 -10.502   4.116  -0.239
  194   2HA   GLY  28          HA1       GLY  28 -11.038   5.672  -0.871
  195    H    THR  29           HN       THR  29  -7.636   5.311  -0.312
  196    HA   THR  29           HA       THR  29  -7.131   5.539  -3.208
  197    HB   THR  29           HB       THR  29  -5.273   5.410  -0.803
  198    HG1  THR  29           HG1      THR  29  -5.790   7.405  -0.487
  199   1HG2  THR  29          HG21      THR  29  -4.794   5.446  -3.626
  200   2HG2  THR  29          HG22      THR  29  -3.612   5.499  -2.318
  201   3HG2  THR  29          HG23      THR  29  -4.284   6.997  -2.959
  202    H    ARG  30           HN       ARG  30  -6.439   3.858  -4.482
  203    HA   ARG  30           HA       ARG  30  -5.817   1.264  -3.111
  204   1HB   ARG  30          HB2       ARG  30  -7.107   1.965  -5.771
  205   2HB   ARG  30          HB1       ARG  30  -6.677   0.318  -5.311
  206   1HG   ARG  30          HG2       ARG  30  -8.355   0.174  -3.747
  207   2HG   ARG  30          HG1       ARG  30  -8.260   1.886  -3.336
  208   1HD   ARG  30          HD2       ARG  30 -10.081   2.229  -4.645
  209   2HD   ARG  30          HD1       ARG  30  -9.104   1.755  -6.048
  210    HE   ARG  30           HE       ARG  30  -9.775  -0.652  -4.808
  211   1HH1  ARG  30          HH22      ARG  30 -11.524   2.070  -6.093
  212   2HH1  ARG  30          HH21      ARG  30 -12.905   1.121  -6.517
  213   1HH2  ARG  30          HH12      ARG  30 -11.577  -1.861  -5.368
  214   2HH2  ARG  30          HH11      ARG  30 -12.938  -1.089  -6.110
  215    H    PHE  31           HN       PHE  31  -3.973   0.129  -3.807
  216    HA   PHE  31           HA       PHE  31  -1.698   1.460  -4.744
  217   1HB   PHE  31          HB1       PHE  31  -2.482  -1.112  -4.001
  218   2HB   PHE  31          HB2       PHE  31  -1.933  -1.321  -5.665
  219    HD1  PHE  31           HD1      PHE  31  -0.866  -1.372  -2.352
  220    HD2  PHE  31           HD2      PHE  31   0.301   0.137  -6.200
  221    HE1  PHE  31           HE1      PHE  31   1.491  -1.263  -1.593
  222    HE2  PHE  31           HE2      PHE  31   2.660   0.247  -5.442
  223    HZ   PHE  31           HZ       PHE  31   3.254  -0.453  -3.138
  224    H    GLU  32           HN       GLU  32  -4.404   0.222  -6.602
  225    HA   GLU  32           HA       GLU  32  -3.240  -0.027  -9.170
  226   1HB   GLU  32          HB1       GLU  32  -5.502  -0.737  -8.604
  227   2HB   GLU  32          HB2       GLU  32  -5.975   0.925  -8.249
  228   1HG   GLU  32          HG2       GLU  32  -6.258   1.432 -10.449
  229   2HG   GLU  32          HG1       GLU  32  -4.810   0.548 -10.932
  230    H    ASP  33           HN       ASP  33  -3.994   2.840  -7.303
  231    HA   ASP  33           HA       ASP  33  -3.345   4.539  -9.687
  232   1HB   ASP  33          HB2       ASP  33  -5.054   4.874  -7.219
  233   2HB   ASP  33          HB1       ASP  33  -4.520   6.282  -8.138
  234    H    ILE  34           HN       ILE  34  -1.706   3.227  -7.235
  235    HA   ILE  34           HA       ILE  34  -0.498   5.611  -6.043
  236    HB   ILE  34           HB       ILE  34  -0.103   2.617  -5.901
  237   1HG1  ILE  34          HG12      ILE  34  -1.017   4.786  -4.002
  238   2HG1  ILE  34          HG11      ILE  34  -1.980   3.473  -4.666
  239   1HG2  ILE  34          HG21      ILE  34   1.531   4.682  -4.391
  240   2HG2  ILE  34          HG22      ILE  34   2.144   3.734  -5.746
  241   3HG2  ILE  34          HG23      ILE  34   1.661   2.928  -4.255
  242   1HD1  ILE  34          HD11      ILE  34  -0.201   1.935  -3.490
  243   2HD1  ILE  34          HD12      ILE  34  -1.487   2.663  -2.528
  244   3HD1  ILE  34          HD13      ILE  34   0.128   3.371  -2.522
  245    HA   PRO  35           HA       PRO  35   3.175   3.801  -8.879
  246   1HB   PRO  35          HB1       PRO  35   1.334   3.366 -11.208
  247   2HB   PRO  35          HB2       PRO  35   2.820   2.500 -10.776
  248   1HG   PRO  35          HG2       PRO  35   0.396   1.461 -10.333
  249   2HG   PRO  35          HG1       PRO  35   1.754   1.177  -9.236
  250   1HD   PRO  35          HD1       PRO  35  -0.651   2.849  -8.863
  251   2HD   PRO  35          HD2       PRO  35   0.388   2.069  -7.655
  252    H    ASP  36           HN       ASP  36   3.589   6.059  -8.684
  253    HA   ASP  36           HA       ASP  36   3.377   7.616 -11.104
  254   1HB   ASP  36          HB2       ASP  36   1.006   7.545 -10.041
  255   2HB   ASP  36          HB1       ASP  36   1.677   8.604  -8.800
  256    H    ASP  37           HN       ASP  37   3.525   7.887  -7.543
  257    HA   ASP  37           HA       ASP  37   6.212   8.974  -7.588
  258   1HB   ASP  37          HB2       ASP  37   4.157  10.743  -8.219
  259   2HB   ASP  37          HB1       ASP  37   4.413  11.029  -6.497
  260    H    TRP  38           HN       TRP  38   4.559   6.936  -6.189
  261    HA   TRP  38           HA       TRP  38   4.658   7.963  -3.379
  262   1HB   TRP  38          HB1       TRP  38   2.486   7.188  -4.274
  263   2HB   TRP  38          HB2       TRP  38   3.205   5.634  -4.689
  264    HD1  TRP  38           HD1      TRP  38   2.366   7.793  -1.619
  265    HE1  TRP  38           HE1      TRP  38   2.111   6.237   0.422
  266    HE3  TRP  38           HE3      TRP  38   3.730   3.346  -3.724
  267    HZ2  TRP  38           HZ2      TRP  38   2.439   3.473   1.073
  268    HZ3  TRP  38           HZ3      TRP  38   3.749   1.269  -2.373
  269    HH2  TRP  38           HH2      TRP  38   3.105   1.328   0.020
  270    H    CYS  39           HN       CYS  39   5.230   6.170  -1.760
  271    HA   CYS  39           HA       CYS  39   6.801   3.896  -2.660
  272   1HB   CYS  39          HB2       CYS  39   8.979   4.828  -1.840
  273   2HB   CYS  39          HB1       CYS  39   8.336   5.731  -3.204
  274    HG   CYS  39           HG       CYS  39   7.315   7.388  -1.236
  275    H    CYS  40           HN       CYS  40   8.467   3.649  -0.414
  276    HA   CYS  40           HA       CYS  40   6.454   3.091   1.689
  277   1HB   CYS  40          HB1       CYS  40   8.740   1.849   0.635
  278   2HB   CYS  40          HB2       CYS  40   9.247   2.409   2.229
  279    HA   PRO  41           HA       PRO  41   7.568   6.313   4.437
  280   1HB   PRO  41          HB2       PRO  41   8.306   4.427   6.600
  281   2HB   PRO  41          HB1       PRO  41   6.997   5.620   6.554
  282   1HG   PRO  41          HG1       PRO  41   6.552   2.972   6.392
  283   2HG   PRO  41          HG2       PRO  41   5.530   4.165   5.578
  284   1HD   PRO  41          HD1       PRO  41   7.619   2.369   4.445
  285   2HD   PRO  41          HD2       PRO  41   6.090   2.924   3.728
  286    H    ASP  42           HN       ASP  42   9.849   3.566   4.611
  287    HA   ASP  42           HA       ASP  42  12.096   5.505   4.408
  288   1HB   ASP  42          HB1       ASP  42  11.186   4.414   6.824
  289   2HB   ASP  42          HB2       ASP  42  12.583   3.424   6.403
  290    H    CYS  43           HN       CYS  43  11.316   3.838   2.347
  291    HA   CYS  43           HA       CYS  43  13.537   1.831   2.316
  292   1HB   CYS  43          HB2       CYS  43  10.700   1.451   1.302
  293   2HB   CYS  43          HB1       CYS  43  11.983   0.247   1.245
  294    H    GLY  44           HN       GLY  44  11.114   3.589   0.359
  295   1HA   GLY  44          HA1       GLY  44  11.430   4.756  -1.667
  296   2HA   GLY  44          HA2       GLY  44  13.156   4.425  -1.540
  297    H    ALA  45           HN       ALA  45  10.679   1.919  -1.408
  298    HA   ALA  45           HA       ALA  45  11.807   0.809  -3.951
  299   1HB   ALA  45          HB1       ALA  45  10.575  -1.278  -2.862
  300   2HB   ALA  45          HB2       ALA  45  10.674  -0.301  -1.397
  301   3HB   ALA  45          HB3       ALA  45  12.147  -0.761  -2.251
  302    H    THR  46           HN       THR  46  10.173  -0.445  -5.273
  303    HA   THR  46           HA       THR  46   7.696   1.153  -5.558
  304    HB   THR  46           HB       THR  46   7.582  -0.025  -7.714
  305    HG1  THR  46           HG1      THR  46   9.366  -1.541  -8.105
  306   1HG2  THR  46          HG21      THR  46   9.347   1.097  -8.656
  307   2HG2  THR  46          HG22      THR  46  10.512   0.434  -7.510
  308   3HG2  THR  46          HG23      THR  46   9.474   1.778  -7.034
  309    H    LYS  47           HN       LYS  47   6.031  -0.806  -6.681
  310    HA   LYS  47           HA       LYS  47   4.809  -1.989  -4.391
  311   1HB   LYS  47          HB2       LYS  47   3.634  -1.470  -6.478
  312   2HB   LYS  47          HB1       LYS  47   4.650  -2.609  -7.365
  313   1HG   LYS  47          HG1       LYS  47   3.651  -4.480  -6.344
  314   2HG   LYS  47          HG2       LYS  47   3.021  -3.526  -5.001
  315   1HD   LYS  47          HD2       LYS  47   1.214  -4.134  -6.571
  316   2HD   LYS  47          HD1       LYS  47   1.460  -2.388  -6.541
  317   1HE   LYS  47          HE1       LYS  47   1.819  -2.431  -8.778
  318   2HE   LYS  47          HE2       LYS  47   3.223  -3.484  -8.517
  319   1HZ   LYS  47          HZ1       LYS  47   0.452  -4.523  -8.403
  320   2HZ   LYS  47          HZ2       LYS  47   1.896  -5.392  -8.613
  321   3HZ   LYS  47          HZ3       LYS  47   1.292  -4.428  -9.874
  322    H    GLU  48           HN       GLU  48   7.539  -3.008  -6.259
  323    HA   GLU  48           HA       GLU  48   7.438  -5.808  -6.171
  324   1HB   GLU  48          HB2       GLU  48   9.926  -5.607  -6.109
  325   2HB   GLU  48          HB1       GLU  48   9.206  -4.448  -7.226
  326   1HG   GLU  48          HG1       GLU  48   9.281  -2.734  -5.389
  327   2HG   GLU  48          HG2       GLU  48  10.162  -3.898  -4.402
  328    H    ASP  49           HN       ASP  49   8.372  -3.555  -3.566
  329    HA   ASP  49           HA       ASP  49   8.938  -5.713  -1.670
  330   1HB   ASP  49          HB1       ASP  49   8.731  -2.696  -1.621
  331   2HB   ASP  49          HB2       ASP  49   8.977  -3.611  -0.134
  332    H    TYR  50           HN       TYR  50   6.133  -3.945  -2.697
  333    HA   TYR  50           HA       TYR  50   4.629  -4.551  -0.218
  334   1HB   TYR  50          HB1       TYR  50   4.432  -2.817  -2.626
  335   2HB   TYR  50          HB2       TYR  50   2.899  -3.371  -1.959
  336    HD1  TYR  50           HD1      TYR  50   2.378  -2.942   0.476
  337    HD2  TYR  50           HD2      TYR  50   5.751  -1.179  -1.516
  338    HE1  TYR  50           HE1      TYR  50   2.575  -1.264   2.294
  339    HE2  TYR  50           HE2      TYR  50   5.948   0.500   0.300
  340    HH   TYR  50           HH       TYR  50   4.254   1.528   2.039
  341    H    VAL  51           HN       VAL  51   3.474  -6.424  -0.081
  342    HA   VAL  51           HA       VAL  51   2.660  -7.777  -2.633
  343    HB   VAL  51           HB       VAL  51   3.374  -8.851   0.122
  344   1HG1  VAL  51          HG21      VAL  51   3.240 -10.832  -1.975
  345   2HG1  VAL  51          HG22      VAL  51   1.700  -9.984  -1.854
  346   3HG1  VAL  51          HG23      VAL  51   2.375 -10.789  -0.440
  347   1HG2  VAL  51          HG11      VAL  51   4.755  -8.989  -2.574
  348   2HG2  VAL  51          HG12      VAL  51   5.259  -9.905  -1.154
  349   3HG2  VAL  51          HG13      VAL  51   5.330  -8.143  -1.138
  350    H    LEU  52           HN       LEU  52   0.509  -8.614  -2.708
  351    HA   LEU  52           HA       LEU  52  -1.483  -7.196  -1.186
  352   1HB   LEU  52          HB2       LEU  52  -1.374  -8.456  -3.545
  353   2HB   LEU  52          HB1       LEU  52  -2.040  -9.773  -2.582
  354    HG   LEU  52           HG       LEU  52  -3.259  -7.109  -2.133
  355   1HD1  LEU  52          HD21      LEU  52  -3.639  -8.643  -4.719
  356   2HD1  LEU  52          HD22      LEU  52  -2.960  -7.023  -4.551
  357   3HD1  LEU  52          HD23      LEU  52  -4.661  -7.310  -4.179
  358   1HD2  LEU  52          HD11      LEU  52  -4.254  -9.941  -2.512
  359   2HD2  LEU  52          HD12      LEU  52  -5.325  -8.564  -2.259
  360   3HD2  LEU  52          HD13      LEU  52  -4.169  -9.024  -1.008
  361    H    TYR  53           HN       TYR  53  -1.938  -7.630   0.929
  362    HA   TYR  53           HA       TYR  53  -1.061  -9.993   2.311
  363   1HB   TYR  53          HB2       TYR  53  -1.574  -7.623   3.164
  364   2HB   TYR  53          HB1       TYR  53  -3.275  -8.085   3.116
  365    HD1  TYR  53           HD1      TYR  53  -4.153  -9.836   4.606
  366    HD2  TYR  53           HD2      TYR  53  -0.042  -8.601   4.782
  367    HE1  TYR  53           HE1      TYR  53  -3.903 -10.974   6.795
  368    HE2  TYR  53           HE2      TYR  53   0.207  -9.738   6.971
  369    HH   TYR  53           HH       TYR  53  -2.359 -10.711   8.838
  370    H    GLU  54           HN       GLU  54  -2.199 -11.864   2.850
  371    HA   GLU  54           HA       GLU  54  -5.064 -12.152   2.540
  372   1HB   GLU  54          HB2       GLU  54  -4.180 -11.972   0.166
  373   2HB   GLU  54          HB1       GLU  54  -3.290 -13.467   0.453
  374   1HG   GLU  54          HG1       GLU  54  -5.869 -14.058   1.321
  375   2HG   GLU  54          HG2       GLU  54  -6.128 -13.081  -0.125
  376    H    GLU  55           HN       GLU  55  -5.577 -13.765   3.962
  377    HA   GLU  55           HA       GLU  55  -3.870 -16.185   4.128
  378   1HB   GLU  55          HB2       GLU  55  -4.009 -13.955   6.068
  379   2HB   GLU  55          HB1       GLU  55  -4.205 -15.553   6.789
  380   1HG   GLU  55          HG1       GLU  55  -2.065 -15.499   4.801
  381   2HG   GLU  55          HG2       GLU  55  -1.784 -14.350   6.109
  382    H    LYS  56           HN       LYS  56  -6.408 -16.189   3.103
  383    HA   LYS  56           HA       LYS  56  -7.857 -17.845   5.046
  384   1HB   LYS  56          HB1       LYS  56  -9.869 -16.342   4.957
  385   2HB   LYS  56          HB2       LYS  56  -8.481 -15.571   5.724
  386   1HG   LYS  56          HG1       LYS  56  -7.961 -14.342   3.714
  387   2HG   LYS  56          HG2       LYS  56  -9.155 -15.251   2.787
  388   1HD   LYS  56          HD2       LYS  56 -10.920 -14.060   3.641
  389   2HD   LYS  56          HD1       LYS  56 -10.156 -13.861   5.218
  390   1HE   LYS  56          HE2       LYS  56  -8.490 -12.290   3.956
  391   2HE   LYS  56          HE1       LYS  56  -9.748 -12.237   2.708
  392   1HZ   LYS  56          HZ1       LYS  56  -9.957 -11.484   5.567
  393   2HZ   LYS  56          HZ2       LYS  56 -11.335 -11.830   4.636
  394   3HZ   LYS  56          HZ3       LYS  56 -10.321 -10.538   4.205
  Start of MODEL    6
    1    H    ALA   1           HT1      ALA   1 -14.994  -0.783  -2.471
    2    HA   ALA   1           HA       ALA   1 -14.579  -2.414  -0.020
    3   1HB   ALA   1          HB1       ALA   1 -13.940  -3.456  -2.724
    4   2HB   ALA   1          HB2       ALA   1 -15.661  -3.260  -2.393
    5   3HB   ALA   1          HB3       ALA   1 -14.674  -4.284  -1.350
    6    H    TYR   2           HN       TYR   2 -12.465  -2.263   0.631
    7    HA   TYR   2           HA       TYR   2 -10.482  -1.098  -1.300
    8   1HB   TYR   2          HB2       TYR   2 -11.010  -0.685   1.652
    9   2HB   TYR   2          HB1       TYR   2  -9.461  -0.245   0.933
   10    HD1  TYR   2           HD1      TYR   2  -9.787   1.037  -1.461
   11    HD2  TYR   2           HD2      TYR   2 -12.567   1.030   1.813
   12    HE1  TYR   2           HE1      TYR   2 -10.775   3.152  -2.296
   13    HE2  TYR   2           HE2      TYR   2 -13.556   3.146   0.978
   14    HH   TYR   2           HH       TYR   2 -13.678   4.279  -1.458
   15    H    LEU   3           HN       LEU   3  -8.554  -2.205  -1.493
   16    HA   LEU   3           HA       LEU   3  -8.358  -4.833  -0.148
   17   1HB   LEU   3          HB1       LEU   3  -7.489  -3.517  -2.603
   18   2HB   LEU   3          HB2       LEU   3  -6.156  -4.380  -1.837
   19    HG   LEU   3           HG       LEU   3  -7.749  -6.364  -1.617
   20   1HD1  LEU   3          HD11      LEU   3  -9.467  -4.383  -2.926
   21   2HD1  LEU   3          HD12      LEU   3  -9.909  -5.869  -2.086
   22   3HD1  LEU   3          HD13      LEU   3  -9.424  -5.924  -3.780
   23   1HD2  LEU   3          HD21      LEU   3  -6.380  -5.307  -3.985
   24   2HD2  LEU   3          HD22      LEU   3  -7.649  -6.467  -4.381
   25   3HD2  LEU   3          HD23      LEU   3  -6.338  -6.930  -3.296
   26    H    LYS   4           HN       LYS   4  -6.218  -5.493   0.757
   27    HA   LYS   4           HA       LYS   4  -4.783  -3.186   2.035
   28   1HB   LYS   4          HB1       LYS   4  -5.362  -5.971   3.115
   29   2HB   LYS   4          HB2       LYS   4  -4.573  -4.663   3.999
   30   1HG   LYS   4          HG1       LYS   4  -6.670  -3.282   3.604
   31   2HG   LYS   4          HG2       LYS   4  -7.434  -4.755   3.007
   32   1HD   LYS   4          HD2       LYS   4  -7.416  -5.773   5.099
   33   2HD   LYS   4          HD1       LYS   4  -6.045  -4.818   5.665
   34   1HE   LYS   4          HE1       LYS   4  -7.834  -3.820   6.822
   35   2HE   LYS   4          HE2       LYS   4  -7.737  -2.794   5.379
   36   1HZ   LYS   4          HZ1       LYS   4  -9.555  -5.084   5.886
   37   2HZ   LYS   4          HZ2       LYS   4  -9.275  -4.487   4.321
   38   3HZ   LYS   4          HZ3       LYS   4  -9.972  -3.483   5.500
   39    H    TRP   5           HN       TRP   5  -2.509  -3.348   2.078
   40    HA   TRP   5           HA       TRP   5  -1.336  -5.695   0.610
   41   1HB   TRP   5          HB2       TRP   5  -0.447  -2.788   0.693
   42   2HB   TRP   5          HB1       TRP   5   0.264  -4.060  -0.298
   43    HD1  TRP   5           HD1      TRP   5  -3.150  -2.319   0.194
   44    HE1  TRP   5           HE1      TRP   5  -4.358  -2.267  -2.076
   45    HE3  TRP   5           HE3      TRP   5   0.199  -4.929  -2.639
   46    HZ2  TRP   5           HZ2      TRP   5  -3.962  -3.220  -4.748
   47    HZ3  TRP   5           HZ3      TRP   5  -0.240  -5.343  -5.042
   48    HH2  TRP   5           HH2      TRP   5  -2.313  -4.491  -6.101
   49    H    ILE   6           HN       ILE   6   1.175  -5.670   1.074
   50    HA   ILE   6           HA       ILE   6   1.871  -4.879   3.832
   51    HB   ILE   6           HB       ILE   6   0.761  -6.996   4.203
   52   1HG1  ILE   6          HG12      ILE   6   2.538  -8.366   5.109
   53   2HG1  ILE   6          HG11      ILE   6   3.722  -7.618   4.042
   54   1HG2  ILE   6          HG21      ILE   6   0.544  -8.312   2.371
   55   2HG2  ILE   6          HG22      ILE   6   2.136  -8.943   2.791
   56   3HG2  ILE   6          HG23      ILE   6   1.989  -7.635   1.618
   57   1HD1  ILE   6          HD11      ILE   6   3.030  -6.793   6.644
   58   2HD1  ILE   6          HD12      ILE   6   2.313  -5.596   5.567
   59   3HD1  ILE   6          HD13      ILE   6   4.043  -5.922   5.492
   60    H    CYS   7           HN       CYS   7   3.983  -4.230   3.798
   61    HA   CYS   7           HA       CYS   7   5.625  -4.612   1.417
   62   1HB   CYS   7          HB2       CYS   7   5.540  -2.573   2.900
   63   2HB   CYS   7          HB1       CYS   7   6.313  -3.521   4.172
   64    H    ILE   8           HN       ILE   8   6.173  -6.832   1.218
   65    HA   ILE   8           HA       ILE   8   6.893  -8.632   3.246
   66    HB   ILE   8           HB       ILE   8   6.517  -9.293   0.945
   67   1HG1  ILE   8          HG11      ILE   8   9.377  -9.926   0.947
   68   2HG1  ILE   8          HG12      ILE   8   8.617 -10.221   2.511
   69   1HG2  ILE   8          HG21      ILE   8   8.503  -8.697  -0.654
   70   2HG2  ILE   8          HG22      ILE   8   8.777  -7.388   0.497
   71   3HG2  ILE   8          HG23      ILE   8   7.239  -7.504  -0.350
   72   1HD1  ILE   8          HD11      ILE   8   6.901 -11.604   1.447
   73   2HD1  ILE   8          HD12      ILE   8   8.498 -12.205   1.002
   74   3HD1  ILE   8          HD13      ILE   8   7.568 -11.242  -0.146
   75    H    THR   9           HN       THR   9   8.682  -5.948   1.958
   76    HA   THR   9           HA       THR   9  11.287  -6.836   2.934
   77    HB   THR   9           HB       THR   9  10.142  -4.201   1.935
   78    HG1  THR   9           HG1      THR   9  10.363  -6.135   0.545
   79   1HG2  THR   9          HG21      THR   9  12.986  -5.015   2.584
   80   2HG2  THR   9          HG22      THR   9  12.072  -3.670   3.269
   81   3HG2  THR   9          HG23      THR   9  12.582  -3.621   1.580
   82    H    CYS  10           HN       CYS  10   8.632  -4.844   4.146
   83    HA   CYS  10           HA       CYS  10  10.236  -4.198   6.584
   84   1HB   CYS  10          HB1       CYS  10   8.058  -2.943   5.016
   85   2HB   CYS  10          HB2       CYS  10   8.035  -2.657   6.751
   86    H    GLY  11           HN       GLY  11   6.884  -5.045   5.662
   87   1HA   GLY  11          HA2       GLY  11   5.824  -7.022   6.740
   88   2HA   GLY  11          HA1       GLY  11   6.695  -6.597   8.213
   89    H    HIS  12           HN       HIS  12   5.488  -3.870   6.520
   90    HA   HIS  12           HA       HIS  12   3.374  -3.532   8.596
   91   1HB   HIS  12          HB1       HIS  12   5.114  -1.812   6.877
   92   2HB   HIS  12          HB2       HIS  12   3.531  -1.161   7.309
   93    HD1  HIS  12           HD1      HIS  12   6.892  -1.331   8.551
   94    HD2  HIS  12           HD2      HIS  12   3.121  -1.458  10.327
   95    HE1  HIS  12           HE1      HIS  12   7.234  -0.786  11.002
   96    H    ILE  13           HN       ILE  13   1.225  -3.577   8.020
   97    HA   ILE  13           HA       ILE  13   0.563  -4.203   5.214
   98    HB   ILE  13           HB       ILE  13  -0.896  -4.186   7.871
   99   1HG1  ILE  13          HG11      ILE  13  -0.887  -6.613   6.251
  100   2HG1  ILE  13          HG12      ILE  13   0.744  -6.041   6.595
  101   1HG2  ILE  13          HG21      ILE  13  -2.006  -4.705   5.101
  102   2HG2  ILE  13          HG22      ILE  13  -2.608  -3.566   6.306
  103   3HG2  ILE  13          HG23      ILE  13  -2.779  -5.302   6.570
  104   1HD1  ILE  13          HD11      ILE  13   0.120  -5.875   9.013
  105   2HD1  ILE  13          HD12      ILE  13   0.022  -7.525   8.394
  106   3HD1  ILE  13          HD13      ILE  13  -1.449  -6.578   8.618
  107    H    TYR  14           HN       TYR  14  -0.761  -2.931   3.907
  108    HA   TYR  14           HA       TYR  14  -1.105  -0.091   4.775
  109   1HB   TYR  14          HB2       TYR  14   0.249  -0.478   2.781
  110   2HB   TYR  14          HB1       TYR  14  -1.008  -1.495   2.076
  111    HD1  TYR  14           HD1      TYR  14  -2.608  -0.526   0.643
  112    HD2  TYR  14           HD2      TYR  14  -0.443   1.957   3.400
  113    HE1  TYR  14           HE1      TYR  14  -3.652   1.490  -0.353
  114    HE2  TYR  14           HE2      TYR  14  -1.489   3.975   2.404
  115    HH   TYR  14           HH       TYR  14  -4.164   3.940   0.570
  116    H    ASP  15           HN       ASP  15  -3.161   0.650   5.129
  117    HA   ASP  15           HA       ASP  15  -5.449  -1.097   4.340
  118   1HB   ASP  15          HB2       ASP  15  -4.775  -0.038   6.728
  119   2HB   ASP  15          HB1       ASP  15  -5.730   1.304   6.097
  120    H    GLU  16           HN       GLU  16  -6.042  -0.470   2.267
  121    HA   GLU  16           HA       GLU  16  -5.757   2.022   1.029
  122   1HB   GLU  16          HB2       GLU  16  -7.529  -0.369   0.810
  123   2HB   GLU  16          HB1       GLU  16  -8.019   1.061  -0.094
  124   1HG   GLU  16          HG2       GLU  16  -5.691   1.156  -1.055
  125   2HG   GLU  16          HG1       GLU  16  -5.365  -0.390  -0.274
  126    H    ALA  17           HN       ALA  17  -8.053   1.074   3.492
  127    HA   ALA  17           HA       ALA  17  -9.986   3.186   2.994
  128   1HB   ALA  17          HB1       ALA  17 -11.108   1.984   4.564
  129   2HB   ALA  17          HB2       ALA  17  -9.791   2.154   5.725
  130   3HB   ALA  17          HB3       ALA  17  -9.747   0.862   4.526
  131    H    LEU  18           HN       LEU  18  -6.817   3.353   4.112
  132    HA   LEU  18           HA       LEU  18  -7.096   6.104   4.951
  133   1HB   LEU  18          HB2       LEU  18  -6.702   5.735   7.349
  134   2HB   LEU  18          HB1       LEU  18  -8.130   4.830   6.843
  135    HG   LEU  18           HG       LEU  18  -5.791   3.202   6.452
  136   1HD1  LEU  18          HD11      LEU  18  -5.928   4.776   8.972
  137   2HD1  LEU  18          HD12      LEU  18  -4.531   4.062   8.167
  138   3HD1  LEU  18          HD13      LEU  18  -5.597   3.051   9.141
  139   1HD2  LEU  18          HD21      LEU  18  -7.145   1.947   8.379
  140   2HD2  LEU  18          HD22      LEU  18  -7.757   2.016   6.726
  141   3HD2  LEU  18          HD23      LEU  18  -8.380   3.129   7.944
  142    H    GLY  19           HN       GLY  19  -5.392   5.584   3.142
  143   1HA   GLY  19          HA1       GLY  19  -2.916   4.335   3.780
  144   2HA   GLY  19          HA2       GLY  19  -3.143   5.517   2.494
  145    H    ASP  20           HN       ASP  20  -1.438   6.896   2.807
  146    HA   ASP  20           HA       ASP  20  -0.712   7.776   5.535
  147   1HB   ASP  20          HB2       ASP  20   1.033   7.092   3.988
  148   2HB   ASP  20          HB1       ASP  20   0.409   8.164   2.735
  149    H    GLU  21           HN       GLU  21  -0.329  10.166   5.849
  150    HA   GLU  21           HA       GLU  21  -2.507  11.748   4.538
  151   1HB   GLU  21          HB2       GLU  21  -2.539  11.315   7.024
  152   2HB   GLU  21          HB1       GLU  21  -1.018  12.199   7.151
  153   1HG   GLU  21          HG1       GLU  21  -2.432  13.968   7.519
  154   2HG   GLU  21          HG2       GLU  21  -2.464  14.004   5.756
  155    H    ALA  22           HN       ALA  22   0.937  11.614   5.217
  156    HA   ALA  22           HA       ALA  22   1.577  14.348   4.552
  157   1HB   ALA  22          HB1       ALA  22   2.837  12.043   5.513
  158   2HB   ALA  22          HB2       ALA  22   3.626  13.588   5.189
  159   3HB   ALA  22          HB3       ALA  22   3.613  12.327   3.955
  160    H    GLU  23           HN       GLU  23   1.925  11.318   2.655
  161    HA   GLU  23           HA       GLU  23   2.665  12.584   0.204
  162   1HB   GLU  23          HB2       GLU  23   1.252   9.962   0.826
  163   2HB   GLU  23          HB1       GLU  23   2.043  10.342  -0.699
  164   1HG   GLU  23          HG1       GLU  23   3.551  10.555   1.896
  165   2HG   GLU  23          HG2       GLU  23   3.387   9.002   1.079
  166    H    GLY  24           HN       GLY  24  -0.429  12.079   1.760
  167   1HA   GLY  24          HA2       GLY  24  -2.341  13.466   1.116
  168   2HA   GLY  24          HA1       GLY  24  -1.738  13.449  -0.541
  169    H    PHE  25           HN       PHE  25  -1.801  10.536   1.426
  170    HA   PHE  25           HA       PHE  25  -3.476   9.196  -0.567
  171   1HB   PHE  25          HB2       PHE  25  -1.729   8.614   1.737
  172   2HB   PHE  25          HB1       PHE  25  -3.109   7.528   1.627
  173    HD1  PHE  25           HD1      PHE  25  -1.777   9.027  -1.465
  174    HD2  PHE  25           HD2      PHE  25  -1.578   5.648   1.180
  175    HE1  PHE  25           HE1      PHE  25  -0.618   7.720  -3.223
  176    HE2  PHE  25           HE2      PHE  25  -0.421   4.341  -0.581
  177    HZ   PHE  25           HZ       PHE  25   0.061   5.377  -2.780
  178    H    THR  26           HN       THR  26  -5.426  10.601  -0.183
  179    HA   THR  26           HA       THR  26  -6.841  10.847   2.226
  180    HB   THR  26           HB       THR  26  -7.275  11.915  -0.002
  181    HG1  THR  26           HG1      THR  26  -9.458  12.000   0.321
  182   1HG2  THR  26          HG21      THR  26  -7.770  10.688  -1.824
  183   2HG2  THR  26          HG22      THR  26  -9.035   9.809  -0.966
  184   3HG2  THR  26          HG23      THR  26  -7.362   9.263  -0.869
  185    HA   PRO  27           HA       PRO  27  -8.218   6.848   3.415
  186   1HB   PRO  27          HB2       PRO  27 -10.960   7.990   3.683
  187   2HB   PRO  27          HB1       PRO  27  -9.961   7.173   4.898
  188   1HG   PRO  27          HG2       PRO  27 -10.368   9.826   4.921
  189   2HG   PRO  27          HG1       PRO  27  -8.855   9.093   5.467
  190   1HD   PRO  27          HD1       PRO  27  -9.441  10.582   2.966
  191   2HD   PRO  27          HD2       PRO  27  -7.928  10.465   3.889
  192    H    GLY  28           HN       GLY  28  -8.099   5.780   1.373
  193   1HA   GLY  28          HA2       GLY  28 -10.091   4.449   0.216
  194   2HA   GLY  28          HA1       GLY  28 -10.413   6.045  -0.460
  195    H    THR  29           HN       THR  29  -7.284   6.376  -0.294
  196    HA   THR  29           HA       THR  29  -6.658   6.054  -2.998
  197    HB   THR  29           HB       THR  29  -4.641   5.521  -0.821
  198    HG1  THR  29           HG1      THR  29  -6.002   7.949  -1.332
  199   1HG2  THR  29          HG21      THR  29  -3.358   5.916  -2.647
  200   2HG2  THR  29          HG22      THR  29  -3.799   7.609  -2.424
  201   3HG2  THR  29          HG23      THR  29  -4.710   6.601  -3.548
  202    H    ARG  30           HN       ARG  30  -6.561   4.235  -4.243
  203    HA   ARG  30           HA       ARG  30  -6.083   1.603  -2.905
  204   1HB   ARG  30          HB1       ARG  30  -8.175   1.878  -4.159
  205   2HB   ARG  30          HB2       ARG  30  -7.281   2.420  -5.579
  206   1HG   ARG  30          HG1       ARG  30  -6.291   0.264  -5.891
  207   2HG   ARG  30          HG2       ARG  30  -6.828  -0.286  -4.305
  208   1HD   ARG  30          HD2       ARG  30  -8.376  -1.254  -5.855
  209   2HD   ARG  30          HD1       ARG  30  -9.231   0.149  -5.185
  210    HE   ARG  30           HE       ARG  30  -7.785   1.142  -7.367
  211   1HH1  ARG  30          HH22      ARG  30 -10.213  -1.296  -6.833
  212   2HH1  ARG  30          HH21      ARG  30 -10.888  -1.127  -8.417
  213   1HH2  ARG  30          HH12      ARG  30  -8.679   1.342  -9.419
  214   2HH2  ARG  30          HH11      ARG  30 -10.028   0.354  -9.870
  215    H    PHE  31           HN       PHE  31  -4.316   0.352  -3.520
  216    HA   PHE  31           HA       PHE  31  -1.961   1.402  -4.565
  217   1HB   PHE  31          HB1       PHE  31  -3.085  -1.119  -3.859
  218   2HB   PHE  31          HB2       PHE  31  -2.305  -1.336  -5.424
  219    HD1  PHE  31           HD1      PHE  31  -0.066  -1.955  -5.378
  220    HD2  PHE  31           HD2      PHE  31  -1.630   0.470  -2.195
  221    HE1  PHE  31           HE1      PHE  31   2.151  -1.984  -4.267
  222    HE2  PHE  31           HE2      PHE  31   0.587   0.441  -1.084
  223    HZ   PHE  31           HZ       PHE  31   2.477  -0.787  -2.119
  224    H    GLU  32           HN       GLU  32  -4.506  -0.303  -6.433
  225    HA   GLU  32           HA       GLU  32  -3.320  -0.266  -8.980
  226   1HB   GLU  32          HB1       GLU  32  -5.409  -1.401  -8.430
  227   2HB   GLU  32          HB2       GLU  32  -6.199   0.141  -8.098
  228   1HG   GLU  32          HG2       GLU  32  -6.634   0.478 -10.289
  229   2HG   GLU  32          HG1       GLU  32  -4.970   0.108 -10.742
  230    H    ASP  33           HN       ASP  33  -4.940   2.348  -7.223
  231    HA   ASP  33           HA       ASP  33  -4.688   4.177  -9.544
  232   1HB   ASP  33          HB2       ASP  33  -6.186   3.963  -7.010
  233   2HB   ASP  33          HB1       ASP  33  -5.663   5.604  -7.388
  234    H    ILE  34           HN       ILE  34  -2.463   3.084  -7.485
  235    HA   ILE  34           HA       ILE  34  -1.314   5.769  -6.834
  236    HB   ILE  34           HB       ILE  34  -0.915   2.966  -5.735
  237   1HG1  ILE  34          HG12      ILE  34  -1.844   5.486  -4.345
  238   2HG1  ILE  34          HG11      ILE  34  -2.958   4.344  -5.091
  239   1HG2  ILE  34          HG21      ILE  34   0.622   4.008  -4.098
  240   2HG2  ILE  34          HG22      ILE  34   0.486   5.542  -4.958
  241   3HG2  ILE  34          HG23      ILE  34   1.241   4.155  -5.743
  242   1HD1  ILE  34          HD11      ILE  34  -0.946   3.098  -3.330
  243   2HD1  ILE  34          HD12      ILE  34  -2.684   2.815  -3.427
  244   3HD1  ILE  34          HD13      ILE  34  -2.064   4.179  -2.498
  245    HA   PRO  35           HA       PRO  35   1.286   4.622 -10.368
  246   1HB   PRO  35          HB2       PRO  35   2.734   7.012 -10.269
  247   2HB   PRO  35          HB1       PRO  35   1.248   6.763 -11.201
  248   1HG   PRO  35          HG1       PRO  35   1.640   8.071  -8.565
  249   2HG   PRO  35          HG2       PRO  35   0.506   8.464  -9.864
  250   1HD   PRO  35          HD1       PRO  35  -0.239   7.192  -7.593
  251   2HD   PRO  35          HD2       PRO  35  -1.037   6.913  -9.155
  252    H    ASP  36           HN       ASP  36   3.942   5.411 -10.459
  253    HA   ASP  36           HA       ASP  36   5.122   3.748  -8.359
  254   1HB   ASP  36          HB1       ASP  36   6.096   5.287 -10.778
  255   2HB   ASP  36          HB2       ASP  36   7.219   4.447  -9.708
  256    H    ASP  37           HN       ASP  37   4.567   7.139  -8.827
  257    HA   ASP  37           HA       ASP  37   6.717   8.376  -7.520
  258   1HB   ASP  37          HB2       ASP  37   3.903   8.876  -8.135
  259   2HB   ASP  37          HB1       ASP  37   4.393   9.677  -6.642
  260    H    TRP  38           HN       TRP  38   3.827   6.873  -6.046
  261    HA   TRP  38           HA       TRP  38   4.573   7.487  -3.319
  262   1HB   TRP  38          HB1       TRP  38   2.278   7.010  -4.000
  263   2HB   TRP  38          HB2       TRP  38   2.749   5.426  -4.615
  264    HD1  TRP  38           HD1      TRP  38   2.232   7.344  -1.346
  265    HE1  TRP  38           HE1      TRP  38   2.019   5.645   0.582
  266    HE3  TRP  38           HE3      TRP  38   3.346   3.033  -3.844
  267    HZ2  TRP  38           HZ2      TRP  38   2.286   2.827   1.006
  268    HZ3  TRP  38           HZ3      TRP  38   3.361   0.859  -2.657
  269    HH2  TRP  38           HH2      TRP  38   2.831   0.750  -0.237
  270    H    CYS  39           HN       CYS  39   5.675   6.167  -1.823
  271    HA   CYS  39           HA       CYS  39   6.733   3.547  -2.779
  272   1HB   CYS  39          HB1       CYS  39   8.293   5.958  -1.790
  273   2HB   CYS  39          HB2       CYS  39   8.998   4.346  -1.927
  274    HG   CYS  39           HG       CYS  39   8.802   6.211  -4.195
  275    H    CYS  40           HN       CYS  40   8.221   2.738  -0.738
  276    HA   CYS  40           HA       CYS  40   6.349   2.378   1.450
  277   1HB   CYS  40          HB1       CYS  40   8.379   0.963   0.375
  278   2HB   CYS  40          HB2       CYS  40   9.255   1.732   1.699
  279    HA   PRO  41           HA       PRO  41   7.677   5.951   3.730
  280   1HB   PRO  41          HB1       PRO  41   6.540   5.294   6.152
  281   2HB   PRO  41          HB2       PRO  41   5.618   5.951   4.788
  282   1HG   PRO  41          HG2       PRO  41   5.849   3.151   5.754
  283   2HG   PRO  41          HG1       PRO  41   4.459   3.996   5.063
  284   1HD   PRO  41          HD2       PRO  41   6.022   2.213   3.685
  285   2HD   PRO  41          HD1       PRO  41   5.076   3.506   2.920
  286    H    ASP  42           HN       ASP  42   8.557   2.694   4.445
  287    HA   ASP  42           HA       ASP  42  10.512   3.605   6.520
  288   1HB   ASP  42          HB1       ASP  42   8.995   1.102   5.893
  289   2HB   ASP  42          HB2       ASP  42  10.569   0.925   6.668
  290    H    CYS  43           HN       CYS  43  10.226   2.215   3.314
  291    HA   CYS  43           HA       CYS  43  13.194   1.787   3.252
  292   1HB   CYS  43          HB1       CYS  43  10.870   0.666   1.650
  293   2HB   CYS  43          HB2       CYS  43  12.556   0.365   1.238
  294    H    GLY  44           HN       GLY  44  10.805   2.357   0.674
  295   1HA   GLY  44          HA2       GLY  44  10.734   4.676  -0.353
  296   2HA   GLY  44          HA1       GLY  44  12.493   4.657  -0.224
  297    H    ALA  45           HN       ALA  45  10.461   1.920  -1.186
  298    HA   ALA  45           HA       ALA  45  11.831   1.971  -3.853
  299   1HB   ALA  45          HB1       ALA  45  12.181   0.099  -2.095
  300   2HB   ALA  45          HB2       ALA  45  11.778  -0.411  -3.735
  301   3HB   ALA  45          HB3       ALA  45  10.534  -0.398  -2.484
  302    H    THR  46           HN       THR  46  10.264   0.261  -5.267
  303    HA   THR  46           HA       THR  46   7.796   1.836  -5.667
  304    HB   THR  46           HB       THR  46   7.702   0.531  -7.747
  305    HG1  THR  46           HG1      THR  46   9.973  -0.875  -6.839
  306   1HG2  THR  46          HG21      THR  46   9.447   2.406  -7.368
  307   2HG2  THR  46          HG22      THR  46   9.684   1.335  -8.749
  308   3HG2  THR  46          HG23      THR  46  10.627   1.098  -7.277
  309    H    LYS  47           HN       LYS  47   6.116  -0.154  -6.697
  310    HA   LYS  47           HA       LYS  47   4.924  -1.237  -4.300
  311   1HB   LYS  47          HB1       LYS  47   4.503  -1.869  -7.247
  312   2HB   LYS  47          HB2       LYS  47   3.364  -2.232  -5.949
  313   1HG   LYS  47          HG2       LYS  47   2.486  -0.176  -6.211
  314   2HG   LYS  47          HG1       LYS  47   4.024   0.508  -5.683
  315   1HD   LYS  47          HD1       LYS  47   3.779   1.475  -7.796
  316   2HD   LYS  47          HD2       LYS  47   4.757   0.055  -8.166
  317   1HE   LYS  47          HE2       LYS  47   3.073  -0.190  -9.763
  318   2HE   LYS  47          HE1       LYS  47   2.332  -1.074  -8.415
  319   1HZ   LYS  47          HZ1       LYS  47   2.043   1.859  -8.685
  320   2HZ   LYS  47          HZ2       LYS  47   1.082   0.780  -7.793
  321   3HZ   LYS  47          HZ3       LYS  47   0.982   0.804  -9.488
  322    H    GLU  48           HN       GLU  48   7.539  -2.341  -6.214
  323    HA   GLU  48           HA       GLU  48   7.250  -5.129  -6.328
  324   1HB   GLU  48          HB2       GLU  48   9.150  -3.386  -6.987
  325   2HB   GLU  48          HB1       GLU  48   9.834  -3.879  -5.439
  326   1HG   GLU  48          HG2       GLU  48   9.210  -6.309  -6.458
  327   2HG   GLU  48          HG1       GLU  48   9.525  -5.430  -7.954
  328    H    ASP  49           HN       ASP  49   8.419  -3.152  -3.584
  329    HA   ASP  49           HA       ASP  49   8.854  -5.416  -1.823
  330   1HB   ASP  49          HB1       ASP  49   8.415  -2.441  -1.358
  331   2HB   ASP  49          HB2       ASP  49   9.003  -3.564  -0.133
  332    H    TYR  50           HN       TYR  50   6.064  -3.565  -2.774
  333    HA   TYR  50           HA       TYR  50   4.481  -4.465  -0.433
  334   1HB   TYR  50          HB1       TYR  50   4.374  -2.424  -2.587
  335   2HB   TYR  50          HB2       TYR  50   2.813  -3.069  -2.089
  336    HD1  TYR  50           HD1      TYR  50   5.513  -0.844  -1.254
  337    HD2  TYR  50           HD2      TYR  50   2.252  -3.088   0.411
  338    HE1  TYR  50           HE1      TYR  50   5.585   0.568   0.785
  339    HE2  TYR  50           HE2      TYR  50   2.323  -1.677   2.451
  340    HH   TYR  50           HH       TYR  50   4.888   0.669   2.976
  341    H    VAL  51           HN       VAL  51   3.037  -6.141  -0.569
  342    HA   VAL  51           HA       VAL  51   2.290  -7.166  -3.284
  343    HB   VAL  51           HB       VAL  51   2.628  -9.462  -2.310
  344   1HG1  VAL  51          HG11      VAL  51   5.022  -9.444  -2.519
  345   2HG1  VAL  51          HG12      VAL  51   5.110  -7.749  -2.040
  346   3HG1  VAL  51          HG13      VAL  51   4.411  -8.189  -3.598
  347   1HG2  VAL  51          HG21      VAL  51   3.926  -9.610  -0.190
  348   2HG2  VAL  51          HG22      VAL  51   2.334  -8.890   0.052
  349   3HG2  VAL  51          HG23      VAL  51   3.768  -7.864   0.004
  350    H    LEU  52           HN       LEU  52   0.381  -8.781  -3.015
  351    HA   LEU  52           HA       LEU  52  -1.734  -7.449  -1.530
  352   1HB   LEU  52          HB2       LEU  52  -1.563  -8.898  -3.789
  353   2HB   LEU  52          HB1       LEU  52  -2.002 -10.193  -2.685
  354    HG   LEU  52           HG       LEU  52  -4.028  -9.225  -3.649
  355   1HD1  LEU  52          HD11      LEU  52  -3.804  -8.132  -0.845
  356   2HD1  LEU  52          HD12      LEU  52  -3.883  -9.863  -1.167
  357   3HD1  LEU  52          HD13      LEU  52  -5.223  -8.816  -1.637
  358   1HD2  LEU  52          HD21      LEU  52  -2.588  -6.869  -3.653
  359   2HD2  LEU  52          HD22      LEU  52  -3.757  -6.599  -2.360
  360   3HD2  LEU  52          HD23      LEU  52  -4.314  -7.001  -3.983
  361    H    TYR  53           HN       TYR  53  -2.043  -7.782   0.634
  362    HA   TYR  53           HA       TYR  53  -0.760  -9.818   2.172
  363   1HB   TYR  53          HB2       TYR  53  -1.734  -7.567   2.880
  364   2HB   TYR  53          HB1       TYR  53  -3.324  -8.327   2.818
  365    HD1  TYR  53           HD1      TYR  53   0.098  -8.951   4.235
  366    HD2  TYR  53           HD2      TYR  53  -4.149  -9.318   4.758
  367    HE1  TYR  53           HE1      TYR  53   0.458  -9.893   6.501
  368    HE2  TYR  53           HE2      TYR  53  -3.789 -10.261   7.023
  369    HH   TYR  53           HH       TYR  53  -1.506 -11.618   8.105
  370    H    GLU  54           HN       GLU  54  -1.187 -11.958   1.656
  371    HA   GLU  54           HA       GLU  54  -4.002 -12.884   1.989
  372   1HB   GLU  54          HB2       GLU  54  -2.299 -12.889  -0.440
  373   2HB   GLU  54          HB1       GLU  54  -3.120 -14.413  -0.107
  374   1HG   GLU  54          HG2       GLU  54  -5.201 -12.818   0.300
  375   2HG   GLU  54          HG1       GLU  54  -4.287 -11.728  -0.742
  376    H    GLU  55           HN       GLU  55  -3.587 -14.120   3.835
  377    HA   GLU  55           HA       GLU  55  -1.717 -16.415   3.489
  378   1HB   GLU  55          HB2       GLU  55  -1.487 -14.079   5.296
  379   2HB   GLU  55          HB1       GLU  55  -1.250 -15.637   6.086
  380   1HG   GLU  55          HG2       GLU  55   0.847 -15.663   5.260
  381   2HG   GLU  55          HG1       GLU  55   0.155 -15.794   3.643
  382    H    LYS  56           HN       LYS  56  -2.533 -18.278   4.428
  383    HA   LYS  56           HA       LYS  56  -5.105 -18.015   5.933
  384   1HB   LYS  56          HB1       LYS  56  -4.052 -19.683   3.812
  385   2HB   LYS  56          HB2       LYS  56  -4.566 -20.693   5.163
  386   1HG   LYS  56          HG2       LYS  56  -6.459 -18.535   4.591
  387   2HG   LYS  56          HG1       LYS  56  -6.236 -19.621   3.220
  388   1HD   LYS  56          HD1       LYS  56  -6.727 -21.557   4.641
  389   2HD   LYS  56          HD2       LYS  56  -6.873 -20.508   6.051
  390   1HE   LYS  56          HE1       LYS  56  -8.565 -19.527   3.910
  391   2HE   LYS  56          HE2       LYS  56  -8.943 -21.223   4.274
  392   1HZ   LYS  56          HZ1       LYS  56  -8.472 -19.243   6.423
  393   2HZ   LYS  56          HZ2       LYS  56  -9.264 -20.741   6.523
  394   3HZ   LYS  56          HZ3       LYS  56 -10.013 -19.435   5.739
  Start of MODEL    7
    1    H    ALA   1           HT1      ALA   1 -14.871  -1.811  -2.437
    2    HA   ALA   1           HA       ALA   1 -14.618  -3.167  -0.432
    3   1HB   ALA   1          HB1       ALA   1 -12.977  -5.231  -1.304
    4   2HB   ALA   1          HB2       ALA   1 -14.157  -5.096  -2.607
    5   3HB   ALA   1          HB3       ALA   1 -14.698  -5.388  -0.955
    6    H    TYR   2           HN       TYR   2 -12.360  -3.537   0.573
    7    HA   TYR   2           HA       TYR   2 -10.326  -1.862  -0.868
    8   1HB   TYR   2          HB2       TYR   2 -11.188  -2.023   2.035
    9   2HB   TYR   2          HB1       TYR   2  -9.696  -1.225   1.541
   10    HD1  TYR   2           HD1      TYR   2 -12.833  -0.441   2.526
   11    HD2  TYR   2           HD2      TYR   2 -10.280   0.170  -0.873
   12    HE1  TYR   2           HE1      TYR   2 -14.118   1.593   1.926
   13    HE2  TYR   2           HE2      TYR   2 -11.565   2.204  -1.474
   14    HH   TYR   2           HH       TYR   2 -14.572   2.969  -0.027
   15    H    LEU   3           HN       LEU   3  -8.253  -2.680  -0.925
   16    HA   LEU   3           HA       LEU   3  -7.853  -5.417   0.207
   17   1HB   LEU   3          HB1       LEU   3  -7.196  -3.962  -2.231
   18   2HB   LEU   3          HB2       LEU   3  -5.756  -4.695  -1.527
   19    HG   LEU   3           HG       LEU   3  -7.046  -6.858  -1.351
   20   1HD1  LEU   3          HD21      LEU   3  -8.977  -5.610  -3.299
   21   2HD1  LEU   3          HD22      LEU   3  -9.280  -5.539  -1.563
   22   3HD1  LEU   3          HD23      LEU   3  -9.154  -7.101  -2.373
   23   1HD2  LEU   3          HD11      LEU   3  -7.248  -6.697  -4.149
   24   2HD2  LEU   3          HD12      LEU   3  -5.843  -7.226  -3.223
   25   3HD2  LEU   3          HD13      LEU   3  -5.992  -5.538  -3.712
   26    H    LYS   4           HN       LYS   4  -5.342  -5.760   0.612
   27    HA   LYS   4           HA       LYS   4  -4.186  -3.415   2.059
   28   1HB   LYS   4          HB1       LYS   4  -4.594  -6.236   3.125
   29   2HB   LYS   4          HB2       LYS   4  -3.762  -4.940   3.986
   30   1HG   LYS   4          HG2       LYS   4  -5.849  -3.575   3.867
   31   2HG   LYS   4          HG1       LYS   4  -6.667  -4.943   3.113
   32   1HD   LYS   4          HD2       LYS   4  -6.514  -6.261   5.065
   33   2HD   LYS   4          HD1       LYS   4  -5.240  -5.253   5.752
   34   1HE   LYS   4          HE1       LYS   4  -6.855  -3.392   6.023
   35   2HE   LYS   4          HE2       LYS   4  -8.136  -4.414   5.344
   36   1HZ   LYS   4          HZ1       LYS   4  -8.276  -4.747   7.649
   37   2HZ   LYS   4          HZ2       LYS   4  -6.590  -4.809   7.842
   38   3HZ   LYS   4          HZ3       LYS   4  -7.407  -6.096   7.094
   39    H    TRP   5           HN       TRP   5  -1.891  -3.426   2.066
   40    HA   TRP   5           HA       TRP   5  -0.596  -5.706   0.594
   41   1HB   TRP   5          HB2       TRP   5   0.009  -2.729   0.438
   42   2HB   TRP   5          HB1       TRP   5   0.779  -3.992  -0.519
   43    HD1  TRP   5           HD1      TRP   5  -2.783  -2.619   0.109
   44    HE1  TRP   5           HE1      TRP   5  -4.096  -2.767  -2.101
   45    HE3  TRP   5           HE3      TRP   5   0.717  -4.886  -2.837
   46    HZ2  TRP   5           HZ2      TRP   5  -3.715  -3.731  -4.770
   47    HZ3  TRP   5           HZ3      TRP   5   0.217  -5.409  -5.207
   48    HH2  TRP   5           HH2      TRP   5  -1.992  -4.834  -6.177
   49    H    ILE   6           HN       ILE   6   1.231  -6.516   1.601
   50    HA   ILE   6           HA       ILE   6   2.275  -4.976   3.949
   51    HB   ILE   6           HB       ILE   6   1.321  -7.100   4.583
   52   1HG1  ILE   6          HG12      ILE   6   3.238  -8.276   5.515
   53   2HG1  ILE   6          HG11      ILE   6   4.316  -7.502   4.358
   54   1HG2  ILE   6          HG21      ILE   6   2.261  -9.226   3.508
   55   2HG2  ILE   6          HG22      ILE   6   2.926  -8.177   2.257
   56   3HG2  ILE   6          HG23      ILE   6   1.182  -8.261   2.500
   57   1HD1  ILE   6          HD11      ILE   6   2.779  -5.494   5.740
   58   2HD1  ILE   6          HD12      ILE   6   4.527  -5.711   5.695
   59   3HD1  ILE   6          HD13      ILE   6   3.565  -6.548   6.914
   60    H    CYS   7           HN       CYS   7   4.379  -4.318   3.882
   61    HA   CYS   7           HA       CYS   7   5.955  -4.754   1.457
   62   1HB   CYS   7          HB2       CYS   7   5.763  -2.650   2.904
   63   2HB   CYS   7          HB1       CYS   7   6.755  -3.488   4.095
   64    H    ILE   8           HN       ILE   8   6.645  -6.923   1.359
   65    HA   ILE   8           HA       ILE   8   7.453  -8.567   3.498
   66    HB   ILE   8           HB       ILE   8   7.004  -9.342   1.228
   67   1HG1  ILE   8          HG12      ILE   8   9.854 -10.005   1.330
   68   2HG1  ILE   8          HG11      ILE   8   9.007 -10.269   2.851
   69   1HG2  ILE   8          HG21      ILE   8   9.034  -7.318   0.662
   70   2HG2  ILE   8          HG22      ILE   8   7.747  -7.934  -0.371
   71   3HG2  ILE   8          HG23      ILE   8   9.266  -8.820  -0.231
   72   1HD1  ILE   8          HD11      ILE   8   8.796 -12.307   1.601
   73   2HD1  ILE   8          HD12      ILE   8   8.356 -11.434   0.133
   74   3HD1  ILE   8          HD13      ILE   8   7.233 -11.498   1.491
   75    H    THR   9           HN       THR   9   9.098  -5.874   2.075
   76    HA   THR   9           HA       THR   9  11.801  -6.603   2.737
   77    HB   THR   9           HB       THR   9  10.423  -3.915   2.390
   78    HG1  THR   9           HG1      THR   9  11.399  -4.223   0.244
   79   1HG2  THR   9          HG21      THR   9  13.319  -4.763   2.433
   80   2HG2  THR   9          HG22      THR   9  12.546  -3.463   3.340
   81   3HG2  THR   9          HG23      THR   9  12.800  -3.298   1.602
   82    H    CYS  10           HN       CYS  10   9.285  -4.764   4.499
   83    HA   CYS  10           HA       CYS  10  11.051  -4.924   6.921
   84   1HB   CYS  10          HB1       CYS  10  10.077  -2.698   7.511
   85   2HB   CYS  10          HB2       CYS  10  10.947  -2.658   5.979
   86    H    GLY  11           HN       GLY  11   7.706  -4.942   5.680
   87   1HA   GLY  11          HA2       GLY  11   6.126  -6.544   6.680
   88   2HA   GLY  11          HA1       GLY  11   6.915  -6.272   8.234
   89    H    HIS  12           HN       HIS  12   5.775  -3.906   5.810
   90    HA   HIS  12           HA       HIS  12   4.127  -2.652   7.976
   91   1HB   HIS  12          HB2       HIS  12   6.089  -1.491   6.702
   92   2HB   HIS  12          HB1       HIS  12   4.956  -1.398   5.354
   93    HD1  HIS  12           HD1      HIS  12   5.667   0.029   8.726
   94    HD2  HIS  12           HD2      HIS  12   2.670   0.291   5.839
   95    HE1  HIS  12           HE1      HIS  12   4.222   2.006   9.370
   96    H    ILE  13           HN       ILE  13   1.930  -2.784   7.734
   97    HA   ILE  13           HA       ILE  13   0.839  -3.878   5.206
   98    HB   ILE  13           HB       ILE  13  -0.222  -3.357   8.002
   99   1HG1  ILE  13          HG11      ILE  13  -0.325  -6.042   6.794
  100   2HG1  ILE  13          HG12      ILE  13   1.307  -5.402   6.985
  101   1HG2  ILE  13          HG21      ILE  13  -1.668  -4.126   5.485
  102   2HG2  ILE  13          HG22      ILE  13  -2.207  -3.089   6.806
  103   3HG2  ILE  13          HG23      ILE  13  -2.180  -4.841   7.014
  104   1HD1  ILE  13          HD11      ILE  13   0.183  -6.710   8.972
  105   2HD1  ILE  13          HD12      ILE  13  -0.644  -5.178   9.258
  106   3HD1  ILE  13          HD13      ILE  13   1.117  -5.252   9.308
  107    H    TYR  14           HN       TYR  14  -0.300  -2.669   3.766
  108    HA   TYR  14           HA       TYR  14  -0.830   0.200   4.409
  109   1HB   TYR  14          HB1       TYR  14   0.550  -0.208   2.449
  110   2HB   TYR  14          HB2       TYR  14  -0.584  -1.414   1.841
  111    HD1  TYR  14           HD1      TYR  14  -2.320  -0.769   0.381
  112    HD2  TYR  14           HD2      TYR  14  -0.344   2.201   2.773
  113    HE1  TYR  14           HE1      TYR  14  -3.564   1.014  -0.808
  114    HE2  TYR  14           HE2      TYR  14  -1.591   3.987   1.584
  115    HH   TYR  14           HH       TYR  14  -4.273   3.340  -0.400
  116    H    ASP  15           HN       ASP  15  -2.925   0.665   4.924
  117    HA   ASP  15           HA       ASP  15  -5.059  -1.276   4.193
  118   1HB   ASP  15          HB1       ASP  15  -5.038   1.132   6.053
  119   2HB   ASP  15          HB2       ASP  15  -6.296  -0.100   5.963
  120    H    GLU  16           HN       GLU  16  -5.817  -0.777   2.156
  121    HA   GLU  16           HA       GLU  16  -5.799   1.632   0.769
  122   1HB   GLU  16          HB2       GLU  16  -7.383  -0.873   0.822
  123   2HB   GLU  16          HB1       GLU  16  -8.156   0.472  -0.013
  124   1HG   GLU  16          HG2       GLU  16  -6.903  -0.391  -1.755
  125   2HG   GLU  16          HG1       GLU  16  -5.728   0.737  -1.079
  126    H    ALA  17           HN       ALA  17  -7.880   0.746   3.454
  127    HA   ALA  17           HA       ALA  17  -9.769   2.955   2.955
  128   1HB   ALA  17          HB1       ALA  17 -10.106   0.552   3.994
  129   2HB   ALA  17          HB2       ALA  17 -11.004   1.915   4.662
  130   3HB   ALA  17          HB3       ALA  17  -9.557   1.327   5.480
  131    H    LEU  18           HN       LEU  18  -6.705   3.174   3.822
  132    HA   LEU  18           HA       LEU  18  -6.987   5.641   5.272
  133   1HB   LEU  18          HB1       LEU  18  -7.575   3.587   6.865
  134   2HB   LEU  18          HB2       LEU  18  -5.821   3.464   6.984
  135    HG   LEU  18           HG       LEU  18  -7.340   6.043   7.456
  136   1HD1  LEU  18          HD11      LEU  18  -6.116   4.595   9.734
  137   2HD1  LEU  18          HD12      LEU  18  -7.570   3.858   9.062
  138   3HD1  LEU  18          HD13      LEU  18  -7.619   5.515   9.662
  139   1HD2  LEU  18          HD21      LEU  18  -5.092   6.563   6.976
  140   2HD2  LEU  18          HD22      LEU  18  -4.491   5.114   7.784
  141   3HD2  LEU  18          HD23      LEU  18  -5.112   6.462   8.738
  142    H    GLY  19           HN       GLY  19  -5.492   5.634   3.224
  143   1HA   GLY  19          HA1       GLY  19  -2.897   4.440   3.335
  144   2HA   GLY  19          HA2       GLY  19  -3.332   5.823   2.333
  145    H    ASP  20           HN       ASP  20  -1.699   7.261   2.744
  146    HA   ASP  20           HA       ASP  20  -1.037   7.855   5.601
  147   1HB   ASP  20          HB2       ASP  20   0.814   6.977   4.305
  148   2HB   ASP  20          HB1       ASP  20   0.467   8.073   2.969
  149    H    GLU  21           HN       GLU  21  -0.590  10.173   6.058
  150    HA   GLU  21           HA       GLU  21  -2.438  11.941   4.539
  151   1HB   GLU  21          HB2       GLU  21  -2.223  11.492   7.152
  152   2HB   GLU  21          HB1       GLU  21  -0.945  12.703   7.035
  153   1HG   GLU  21          HG2       GLU  21  -2.450  14.357   6.216
  154   2HG   GLU  21          HG1       GLU  21  -3.700  13.161   5.876
  155    H    ALA  22           HN       ALA  22   0.973  11.506   5.276
  156    HA   ALA  22           HA       ALA  22   1.809  14.151   4.382
  157   1HB   ALA  22          HB1       ALA  22   3.507  11.653   4.472
  158   2HB   ALA  22          HB2       ALA  22   2.928  12.392   5.964
  159   3HB   ALA  22          HB3       ALA  22   3.968  13.307   4.873
  160    H    GLU  23           HN       GLU  23   1.323  11.007   2.859
  161    HA   GLU  23           HA       GLU  23   2.656  11.825   0.366
  162   1HB   GLU  23          HB2       GLU  23   1.110   9.393   1.319
  163   2HB   GLU  23          HB1       GLU  23   1.872   9.504  -0.262
  164   1HG   GLU  23          HG2       GLU  23   3.510  10.117   2.168
  165   2HG   GLU  23          HG1       GLU  23   3.177   8.431   1.774
  166    H    GLY  24           HN       GLY  24  -0.060  12.978   1.538
  167   1HA   GLY  24          HA2       GLY  24  -2.056  13.782   0.607
  168   2HA   GLY  24          HA1       GLY  24  -1.261  13.610  -0.957
  169    H    PHE  25           HN       PHE  25  -1.689  10.861   1.188
  170    HA   PHE  25           HA       PHE  25  -3.269   9.490  -0.880
  171   1HB   PHE  25          HB1       PHE  25  -1.543   8.944   1.417
  172   2HB   PHE  25          HB2       PHE  25  -2.985   7.948   1.454
  173    HD1  PHE  25           HD1      PHE  25  -1.634   5.937   1.120
  174    HD2  PHE  25           HD2      PHE  25  -1.629   9.103  -1.779
  175    HE1  PHE  25           HE1      PHE  25  -0.604   4.412  -0.545
  176    HE2  PHE  25           HE2      PHE  25  -0.598   7.582  -3.441
  177    HZ   PHE  25           HZ       PHE  25  -0.082   5.238  -2.822
  178    H    THR  26           HN       THR  26  -5.219  10.885  -0.635
  179    HA   THR  26           HA       THR  26  -6.698  11.413   1.650
  180    HB   THR  26           HB       THR  26  -7.126  12.094  -0.718
  181    HG1  THR  26           HG1      THR  26  -8.759  12.299   0.870
  182   1HG2  THR  26          HG21      THR  26  -8.302   9.310  -0.940
  183   2HG2  THR  26          HG22      THR  26  -6.813   9.849  -1.714
  184   3HG2  THR  26          HG23      THR  26  -8.357  10.559  -2.185
  185    HA   PRO  27           HA       PRO  27  -7.980   7.623   3.459
  186   1HB   PRO  27          HB2       PRO  27 -10.713   8.779   3.694
  187   2HB   PRO  27          HB1       PRO  27  -9.634   8.182   4.967
  188   1HG   PRO  27          HG1       PRO  27 -10.096  10.798   4.582
  189   2HG   PRO  27          HG2       PRO  27  -8.542  10.182   5.160
  190   1HD   PRO  27          HD2       PRO  27  -9.288  11.221   2.478
  191   2HD   PRO  27          HD1       PRO  27  -7.734  11.303   3.335
  192    H    GLY  28           HN       GLY  28  -8.083   6.068   1.834
  193   1HA   GLY  28          HA2       GLY  28  -9.865   4.553   0.861
  194   2HA   GLY  28          HA1       GLY  28 -10.581   6.016   0.186
  195    H    THR  29           HN       THR  29  -7.112   5.323   0.323
  196    HA   THR  29           HA       THR  29  -6.958   5.688  -2.611
  197    HB   THR  29           HB       THR  29  -4.835   5.249  -0.476
  198    HG1  THR  29           HG1      THR  29  -5.421   7.177   0.076
  199   1HG2  THR  29          HG21      THR  29  -3.368   6.371  -2.176
  200   2HG2  THR  29          HG22      THR  29  -4.707   6.293  -3.322
  201   3HG2  THR  29          HG23      THR  29  -3.983   4.807  -2.710
  202    H    ARG  30           HN       ARG  30  -6.603   4.010  -4.023
  203    HA   ARG  30           HA       ARG  30  -6.310   1.272  -2.858
  204   1HB   ARG  30          HB2       ARG  30  -7.716   2.550  -5.118
  205   2HB   ARG  30          HB1       ARG  30  -6.946   1.021  -5.534
  206   1HG   ARG  30          HG2       ARG  30  -9.062   0.345  -4.759
  207   2HG   ARG  30          HG1       ARG  30  -8.041   0.143  -3.335
  208   1HD   ARG  30          HD2       ARG  30  -9.812   1.359  -2.413
  209   2HD   ARG  30          HD1       ARG  30  -8.755   2.692  -2.918
  210    HE   ARG  30           HE       ARG  30 -10.312   3.188  -4.630
  211   1HH1  ARG  30          HH22      ARG  30 -10.792  -0.042  -3.424
  212   2HH1  ARG  30          HH21      ARG  30 -12.217  -0.302  -4.368
  213   1HH2  ARG  30          HH11      ARG  30 -12.165   2.828  -5.846
  214   2HH2  ARG  30          HH12      ARG  30 -12.990   1.309  -5.730
  215    H    PHE  31           HN       PHE  31  -4.480   0.073  -3.333
  216    HA   PHE  31           HA       PHE  31  -2.080   1.181  -4.260
  217   1HB   PHE  31          HB1       PHE  31  -3.075  -1.277  -3.374
  218   2HB   PHE  31          HB2       PHE  31  -2.442  -1.636  -4.980
  219    HD1  PHE  31           HD1      PHE  31  -0.231  -2.344  -5.030
  220    HD2  PHE  31           HD2      PHE  31  -1.444   0.500  -2.047
  221    HE1  PHE  31           HE1      PHE  31   2.079  -2.304  -4.130
  222    HE2  PHE  31           HE2      PHE  31   0.867   0.540  -1.147
  223    HZ   PHE  31           HZ       PHE  31   2.628  -0.862  -2.188
  224    H    GLU  32           HN       GLU  32  -4.469  -0.694  -6.160
  225    HA   GLU  32           HA       GLU  32  -3.146  -0.702  -8.648
  226   1HB   GLU  32          HB1       GLU  32  -5.176  -1.958  -8.114
  227   2HB   GLU  32          HB2       GLU  32  -6.090  -0.459  -7.938
  228   1HG   GLU  32          HG2       GLU  32  -6.306  -0.189 -10.189
  229   2HG   GLU  32          HG1       GLU  32  -4.659  -0.733 -10.507
  230    H    ASP  33           HN       ASP  33  -5.268   1.800  -7.238
  231    HA   ASP  33           HA       ASP  33  -5.109   3.539  -9.575
  232   1HB   ASP  33          HB2       ASP  33  -6.776   3.244  -7.448
  233   2HB   ASP  33          HB1       ASP  33  -5.793   4.588  -6.870
  234    H    ILE  34           HN       ILE  34  -3.222   3.060  -6.668
  235    HA   ILE  34           HA       ILE  34  -1.926   5.629  -6.583
  236    HB   ILE  34           HB       ILE  34  -1.295   2.837  -5.581
  237   1HG1  ILE  34          HG12      ILE  34  -2.022   5.313  -4.014
  238   2HG1  ILE  34          HG11      ILE  34  -3.254   4.258  -4.705
  239   1HG2  ILE  34          HG21      ILE  34   0.821   4.123  -5.883
  240   2HG2  ILE  34          HG22      ILE  34   0.458   3.819  -4.184
  241   3HG2  ILE  34          HG23      ILE  34   0.153   5.411  -4.879
  242   1HD1  ILE  34          HD11      ILE  34  -2.882   2.623  -3.168
  243   2HD1  ILE  34          HD12      ILE  34  -2.116   3.905  -2.230
  244   3HD1  ILE  34          HD13      ILE  34  -1.132   2.836  -3.231
  245    HA   PRO  35           HA       PRO  35   0.489   4.891 -10.316
  246   1HB   PRO  35          HB2       PRO  35   1.894   7.368  -9.501
  247   2HB   PRO  35          HB1       PRO  35   0.999   7.028 -10.992
  248   1HG   PRO  35          HG2       PRO  35   0.074   8.680  -9.073
  249   2HG   PRO  35          HG1       PRO  35  -0.989   7.715 -10.107
  250   1HD   PRO  35          HD2       PRO  35  -0.218   7.294  -7.263
  251   2HD   PRO  35          HD1       PRO  35  -1.751   6.942  -8.087
  252    H    ASP  36           HN       ASP  36   3.211   6.006 -10.220
  253    HA   ASP  36           HA       ASP  36   4.438   3.946  -8.449
  254   1HB   ASP  36          HB1       ASP  36   5.124   5.422 -10.967
  255   2HB   ASP  36          HB2       ASP  36   6.454   4.827  -9.974
  256    H    ASP  37           HN       ASP  37   4.075   7.388  -8.779
  257    HA   ASP  37           HA       ASP  37   6.376   8.436  -7.574
  258   1HB   ASP  37          HB2       ASP  37   3.467   9.202  -7.164
  259   2HB   ASP  37          HB1       ASP  37   4.848  10.264  -6.892
  260    H    TRP  38           HN       TRP  38   3.532   6.979  -5.993
  261    HA   TRP  38           HA       TRP  38   4.352   7.545  -3.292
  262   1HB   TRP  38          HB1       TRP  38   2.056   6.985  -3.976
  263   2HB   TRP  38          HB2       TRP  38   2.585   5.393  -4.518
  264    HD1  TRP  38           HD1      TRP  38   2.055   7.456  -1.338
  265    HE1  TRP  38           HE1      TRP  38   1.920   5.851   0.675
  266    HE3  TRP  38           HE3      TRP  38   3.243   3.056  -3.639
  267    HZ2  TRP  38           HZ2      TRP  38   2.269   3.069   1.234
  268    HZ3  TRP  38           HZ3      TRP  38   3.334   0.946  -2.344
  269    HH2  TRP  38           HH2      TRP  38   2.849   0.946   0.087
  270    H    CYS  39           HN       CYS  39   5.025   5.827  -1.720
  271    HA   CYS  39           HA       CYS  39   6.319   3.408  -2.763
  272   1HB   CYS  39          HB2       CYS  39   8.590   4.182  -2.035
  273   2HB   CYS  39          HB1       CYS  39   7.938   5.159  -3.342
  274    HG   CYS  39           HG       CYS  39   8.594   6.178  -0.570
  275    H    CYS  40           HN       CYS  40   8.083   3.006  -0.609
  276    HA   CYS  40           HA       CYS  40   6.158   2.445   1.557
  277   1HB   CYS  40          HB1       CYS  40   8.161   1.039   0.447
  278   2HB   CYS  40          HB2       CYS  40   9.083   1.840   1.719
  279    HA   PRO  41           HA       PRO  41   7.483   6.236   3.577
  280   1HB   PRO  41          HB2       PRO  41   6.121   5.729   5.952
  281   2HB   PRO  41          HB1       PRO  41   5.404   6.503   4.528
  282   1HG   PRO  41          HG1       PRO  41   5.203   3.691   5.469
  283   2HG   PRO  41          HG2       PRO  41   3.990   4.707   4.677
  284   1HD   PRO  41          HD2       PRO  41   5.358   2.752   3.384
  285   2HD   PRO  41          HD1       PRO  41   4.771   4.219   2.573
  286    H    ASP  42           HN       ASP  42   8.061   2.972   4.511
  287    HA   ASP  42           HA       ASP  42   9.839   3.795   6.761
  288   1HB   ASP  42          HB2       ASP  42   8.598   1.214   5.779
  289   2HB   ASP  42          HB1       ASP  42   9.864   1.214   7.007
  290    H    CYS  43           HN       CYS  43   9.896   2.457   3.509
  291    HA   CYS  43           HA       CYS  43  12.867   2.116   3.736
  292   1HB   CYS  43          HB1       CYS  43  10.736   0.856   1.976
  293   2HB   CYS  43          HB2       CYS  43  12.462   0.607   1.722
  294    H    GLY  44           HN       GLY  44  10.716   2.508   0.926
  295   1HA   GLY  44          HA2       GLY  44  10.658   4.840  -0.120
  296   2HA   GLY  44          HA1       GLY  44  12.408   4.826   0.095
  297    H    ALA  45           HN       ALA  45  10.327   2.140  -0.965
  298    HA   ALA  45           HA       ALA  45  11.816   2.171  -3.572
  299   1HB   ALA  45          HB1       ALA  45  10.740  -0.407  -2.751
  300   2HB   ALA  45          HB2       ALA  45  11.754   0.282  -1.483
  301   3HB   ALA  45          HB3       ALA  45  12.412   0.033  -3.100
  302    H    THR  46           HN       THR  46  10.452   0.478  -5.085
  303    HA   THR  46           HA       THR  46   7.865   1.797  -5.514
  304    HB   THR  46           HB       THR  46   7.935  -0.025  -7.416
  305    HG1  THR  46           HG1      THR  46   9.876  -0.977  -7.683
  306   1HG2  THR  46          HG21      THR  46   8.372   2.307  -7.875
  307   2HG2  THR  46          HG22      THR  46   9.643   1.357  -8.645
  308   3HG2  THR  46          HG23      THR  46   9.968   2.200  -7.131
  309    H    LYS  47           HN       LYS  47   6.262  -0.223  -6.459
  310    HA   LYS  47           HA       LYS  47   5.200  -1.419  -4.056
  311   1HB   LYS  47          HB1       LYS  47   4.720  -1.893  -7.022
  312   2HB   LYS  47          HB2       LYS  47   3.679  -2.504  -5.735
  313   1HG   LYS  47          HG1       LYS  47   3.106  -0.273  -5.035
  314   2HG   LYS  47          HG2       LYS  47   4.338   0.433  -6.082
  315   1HD   LYS  47          HD2       LYS  47   2.098  -1.252  -7.205
  316   2HD   LYS  47          HD1       LYS  47   1.896   0.478  -6.928
  317   1HE   LYS  47          HE2       LYS  47   4.255   0.540  -8.241
  318   2HE   LYS  47          HE1       LYS  47   3.565  -0.929  -8.958
  319   1HZ   LYS  47          HZ1       LYS  47   1.596   0.233  -9.537
  320   2HZ   LYS  47          HZ2       LYS  47   2.883   1.212 -10.055
  321   3HZ   LYS  47          HZ3       LYS  47   2.041   1.600  -8.633
  322    H    GLU  48           HN       GLU  48   7.816  -2.333  -6.058
  323    HA   GLU  48           HA       GLU  48   7.677  -5.122  -6.280
  324   1HB   GLU  48          HB2       GLU  48   9.541  -3.086  -6.597
  325   2HB   GLU  48          HB1       GLU  48  10.264  -4.083  -5.333
  326   1HG   GLU  48          HG2       GLU  48   9.832  -6.095  -6.806
  327   2HG   GLU  48          HG1       GLU  48   9.372  -4.975  -8.088
  328    H    ASP  49           HN       ASP  49   8.687  -3.195  -3.448
  329    HA   ASP  49           HA       ASP  49   9.220  -5.527  -1.786
  330   1HB   ASP  49          HB1       ASP  49   9.454  -3.767  -0.047
  331   2HB   ASP  49          HB2       ASP  49  10.303  -3.312  -1.524
  332    H    TYR  50           HN       TYR  50   6.390  -3.672  -2.612
  333    HA   TYR  50           HA       TYR  50   4.865  -4.625  -0.259
  334   1HB   TYR  50          HB1       TYR  50   4.690  -2.576  -2.380
  335   2HB   TYR  50          HB2       TYR  50   3.142  -3.315  -1.974
  336    HD1  TYR  50           HD1      TYR  50   5.517  -0.840  -1.041
  337    HD2  TYR  50           HD2      TYR  50   2.604  -3.550   0.569
  338    HE1  TYR  50           HE1      TYR  50   5.392   0.526   1.027
  339    HE2  TYR  50           HE2      TYR  50   2.477  -2.187   2.639
  340    HH   TYR  50           HH       TYR  50   3.544   0.892   2.878
  341    H    VAL  51           HN       VAL  51   3.549  -6.403  -0.347
  342    HA   VAL  51           HA       VAL  51   2.879  -7.522  -3.051
  343    HB   VAL  51           HB       VAL  51   3.085  -9.747  -1.915
  344   1HG1  VAL  51          HG11      VAL  51   5.678  -9.193  -1.244
  345   2HG1  VAL  51          HG12      VAL  51   5.281  -7.799  -2.250
  346   3HG1  VAL  51          HG13      VAL  51   5.116  -9.432  -2.898
  347   1HG2  VAL  51          HG21      VAL  51   2.567  -8.746   0.379
  348   2HG2  VAL  51          HG22      VAL  51   4.242  -8.196   0.410
  349   3HG2  VAL  51          HG23      VAL  51   3.882  -9.919   0.333
  350    H    LEU  52           HN       LEU  52   0.839  -8.838  -3.019
  351    HA   LEU  52           HA       LEU  52  -1.253  -7.462  -1.497
  352   1HB   LEU  52          HB2       LEU  52  -1.094  -8.472  -3.958
  353   2HB   LEU  52          HB1       LEU  52  -1.699  -9.914  -3.145
  354    HG   LEU  52           HG       LEU  52  -3.045  -7.370  -2.434
  355   1HD1  LEU  52          HD21      LEU  52  -3.621  -8.694  -5.091
  356   2HD1  LEU  52          HD22      LEU  52  -2.620  -7.250  -4.935
  357   3HD1  LEU  52          HD23      LEU  52  -4.317  -7.203  -4.455
  358   1HD2  LEU  52          HD11      LEU  52  -4.978  -8.796  -2.363
  359   2HD2  LEU  52          HD12      LEU  52  -3.647  -9.694  -1.636
  360   3HD2  LEU  52          HD13      LEU  52  -4.154 -10.053  -3.286
  361    H    TYR  53           HN       TYR  53  -1.827  -8.113   0.528
  362    HA   TYR  53           HA       TYR  53  -0.953 -10.647   1.662
  363   1HB   TYR  53          HB2       TYR  53  -1.478  -8.235   2.659
  364   2HB   TYR  53          HB1       TYR  53  -3.101  -8.902   2.837
  365    HD1  TYR  53           HD1      TYR  53  -3.166 -11.367   3.868
  366    HD2  TYR  53           HD2      TYR  53   0.033  -8.556   4.389
  367    HE1  TYR  53           HE1      TYR  53  -2.438 -12.572   5.910
  368    HE2  TYR  53           HE2      TYR  53   0.764  -9.754   6.430
  369    HH   TYR  53           HH       TYR  53  -0.132 -12.803   7.184
  370    H    GLU  54           HN       GLU  54  -1.971 -12.532   1.075
  371    HA   GLU  54           HA       GLU  54  -4.786 -12.514   0.192
  372   1HB   GLU  54          HB2       GLU  54  -4.256 -14.896  -0.287
  373   2HB   GLU  54          HB1       GLU  54  -3.015 -13.828  -0.942
  374   1HG   GLU  54          HG2       GLU  54  -2.335 -14.462   1.772
  375   2HG   GLU  54          HG1       GLU  54  -2.680 -15.964   0.914
  376    H    GLU  55           HN       GLU  55  -6.473 -13.611   1.304
  377    HA   GLU  55           HA       GLU  55  -5.980 -14.014   4.215
  378   1HB   GLU  55          HB2       GLU  55  -8.375 -13.541   2.427
  379   2HB   GLU  55          HB1       GLU  55  -8.582 -14.064   4.099
  380   1HG   GLU  55          HG1       GLU  55  -7.749 -12.081   4.967
  381   2HG   GLU  55          HG2       GLU  55  -6.762 -11.751   3.542
  382    H    LYS  56           HN       LYS  56  -4.849 -16.110   2.998
  383    HA   LYS  56           HA       LYS  56  -6.718 -18.339   3.580
  384   1HB   LYS  56          HB2       LYS  56  -6.129 -17.359   0.968
  385   2HB   LYS  56          HB1       LYS  56  -5.296 -18.904   1.135
  386   1HG   LYS  56          HG2       LYS  56  -7.268 -20.091   1.428
  387   2HG   LYS  56          HG1       LYS  56  -8.127 -18.700   2.089
  388   1HD   LYS  56          HD1       LYS  56  -7.196 -18.701  -0.776
  389   2HD   LYS  56          HD2       LYS  56  -8.711 -19.485  -0.328
  390   1HE   LYS  56          HE1       LYS  56  -9.379 -17.302   0.806
  391   2HE   LYS  56          HE2       LYS  56  -7.968 -16.564   0.025
  392   1HZ   LYS  56          HZ1       LYS  56 -10.031 -18.143  -1.421
  393   2HZ   LYS  56          HZ2       LYS  56  -8.772 -17.232  -2.105
  394   3HZ   LYS  56          HZ3       LYS  56 -10.054 -16.448  -1.317
  Start of MODEL    8
    1    H    ALA   1           HT1      ALA   1 -15.754  -3.261  -1.290
    2    HA   ALA   1           HA       ALA   1 -13.949  -3.589   0.291
    3   1HB   ALA   1          HB1       ALA   1 -14.539  -5.641  -0.557
    4   2HB   ALA   1          HB2       ALA   1 -12.966  -5.550  -1.349
    5   3HB   ALA   1          HB3       ALA   1 -14.424  -5.087  -2.227
    6    H    TYR   2           HN       TYR   2 -11.997  -2.670   0.779
    7    HA   TYR   2           HA       TYR   2 -10.217  -1.773  -1.423
    8   1HB   TYR   2          HB2       TYR   2 -10.469  -1.303   1.554
    9   2HB   TYR   2          HB1       TYR   2  -9.036  -0.772   0.672
   10    HD1  TYR   2           HD1      TYR   2 -12.283   0.158   1.698
   11    HD2  TYR   2           HD2      TYR   2  -9.552   0.520  -1.598
   12    HE1  TYR   2           HE1      TYR   2 -13.516   2.155   0.896
   13    HE2  TYR   2           HE2      TYR   2 -10.785   2.517  -2.400
   14    HH   TYR   2           HH       TYR   2 -13.250   4.046  -0.483
   15    H    LEU   3           HN       LEU   3  -8.321  -2.808  -1.894
   16    HA   LEU   3           HA       LEU   3  -7.725  -5.382  -0.683
   17   1HB   LEU   3          HB1       LEU   3  -6.949  -3.708  -2.947
   18   2HB   LEU   3          HB2       LEU   3  -5.550  -4.507  -2.231
   19    HG   LEU   3           HG       LEU   3  -6.884  -6.667  -2.310
   20   1HD1  LEU   3          HD21      LEU   3  -9.077  -5.334  -2.603
   21   2HD1  LEU   3          HD22      LEU   3  -8.876  -6.784  -3.588
   22   3HD1  LEU   3          HD23      LEU   3  -8.611  -5.191  -4.298
   23   1HD2  LEU   3          HD11      LEU   3  -5.191  -5.667  -4.089
   24   2HD2  LEU   3          HD12      LEU   3  -6.637  -5.595  -5.096
   25   3HD2  LEU   3          HD13      LEU   3  -6.094  -7.140  -4.441
   26    H    LYS   4           HN       LYS   4  -5.530  -5.872   0.231
   27    HA   LYS   4           HA       LYS   4  -4.340  -3.540   1.693
   28   1HB   LYS   4          HB1       LYS   4  -5.453  -6.156   2.616
   29   2HB   LYS   4          HB2       LYS   4  -4.009  -5.570   3.441
   30   1HG   LYS   4          HG2       LYS   4  -5.122  -3.840   4.428
   31   2HG   LYS   4          HG1       LYS   4  -6.108  -3.533   2.998
   32   1HD   LYS   4          HD1       LYS   4  -6.523  -5.943   4.781
   33   2HD   LYS   4          HD2       LYS   4  -7.366  -4.415   5.035
   34   1HE   LYS   4          HE2       LYS   4  -8.365  -4.545   2.809
   35   2HE   LYS   4          HE1       LYS   4  -7.430  -6.008   2.446
   36   1HZ   LYS   4          HZ1       LYS   4  -9.649  -6.569   3.259
   37   2HZ   LYS   4          HZ2       LYS   4  -9.369  -5.688   4.683
   38   3HZ   LYS   4          HZ3       LYS   4  -8.462  -7.087   4.356
   39    H    TRP   5           HN       TRP   5  -2.100  -3.501   1.626
   40    HA   TRP   5           HA       TRP   5  -0.749  -5.866   0.357
   41   1HB   TRP   5          HB2       TRP   5   0.058  -2.932   0.389
   42   2HB   TRP   5          HB1       TRP   5   0.805  -4.210  -0.566
   43    HD1  TRP   5           HD1      TRP   5  -2.651  -2.529  -0.166
   44    HE1  TRP   5           HE1      TRP   5  -3.802  -2.502  -2.468
   45    HE3  TRP   5           HE3      TRP   5   0.822  -5.071  -2.911
   46    HZ2  TRP   5           HZ2      TRP   5  -3.316  -3.443  -5.130
   47    HZ3  TRP   5           HZ3      TRP   5   0.453  -5.492  -5.325
   48    HH2  TRP   5           HH2      TRP   5  -1.608  -4.683  -6.437
   49    H    ILE   6           HN       ILE   6   1.647  -5.968   1.011
   50    HA   ILE   6           HA       ILE   6   2.190  -4.934   3.743
   51    HB   ILE   6           HB       ILE   6   1.189  -7.103   4.137
   52   1HG1  ILE   6          HG12      ILE   6   3.004  -8.332   5.174
   53   2HG1  ILE   6          HG11      ILE   6   4.190  -7.537   4.144
   54   1HG2  ILE   6          HG21      ILE   6   1.145  -8.427   2.284
   55   2HG2  ILE   6          HG22      ILE   6   2.682  -9.039   2.898
   56   3HG2  ILE   6          HG23      ILE   6   2.663  -7.774   1.669
   57   1HD1  ILE   6          HD11      ILE   6   3.271  -6.682   6.680
   58   2HD1  ILE   6          HD12      ILE   6   2.607  -5.547   5.508
   59   3HD1  ILE   6          HD13      ILE   6   4.346  -5.815   5.584
   60    H    CYS   7           HN       CYS   7   4.331  -4.373   3.963
   61    HA   CYS   7           HA       CYS   7   6.078  -4.629   1.612
   62   1HB   CYS   7          HB2       CYS   7   5.717  -2.617   3.205
   63   2HB   CYS   7          HB1       CYS   7   6.740  -3.496   4.341
   64    H    ILE   8           HN       ILE   8   6.675  -6.864   1.526
   65    HA   ILE   8           HA       ILE   8   7.460  -8.525   3.649
   66    HB   ILE   8           HB       ILE   8   7.131  -9.342   1.399
   67   1HG1  ILE   8          HG11      ILE   8  10.027  -9.794   1.414
   68   2HG1  ILE   8          HG12      ILE   8   9.289 -10.054   2.994
   69   1HG2  ILE   8          HG21      ILE   8   9.167  -7.257   0.833
   70   2HG2  ILE   8          HG22      ILE   8   7.725  -7.692  -0.079
   71   3HG2  ILE   8          HG23      ILE   8   9.173  -8.694  -0.189
   72   1HD1  ILE   8          HD11      ILE   8   9.288 -12.117   1.590
   73   2HD1  ILE   8          HD12      ILE   8   8.304 -11.271   0.396
   74   3HD1  ILE   8          HD13      ILE   8   7.657 -11.591   2.005
   75    H    THR   9           HN       THR   9   9.126  -5.826   2.239
   76    HA   THR   9           HA       THR   9  11.788  -6.501   3.143
   77    HB   THR   9           HB       THR   9  10.370  -3.926   2.357
   78    HG1  THR   9           HG1      THR   9  10.544  -5.454   0.716
   79   1HG2  THR   9          HG21      THR   9  13.166  -4.474   3.224
   80   2HG2  THR   9          HG22      THR   9  12.205  -3.004   3.387
   81   3HG2  THR   9          HG23      THR   9  12.952  -3.403   1.839
   82    H    CYS  10           HN       CYS  10   9.005  -4.908   4.600
   83    HA   CYS  10           HA       CYS  10  10.620  -4.462   7.082
   84   1HB   CYS  10          HB2       CYS  10   8.328  -2.894   5.918
   85   2HB   CYS  10          HB1       CYS  10   9.130  -2.511   7.434
   86    H    GLY  11           HN       GLY  11   7.262  -4.903   5.916
   87   1HA   GLY  11          HA2       GLY  11   6.012  -6.867   6.841
   88   2HA   GLY  11          HA1       GLY  11   6.748  -6.493   8.398
   89    H    HIS  12           HN       HIS  12   5.767  -3.793   6.468
   90    HA   HIS  12           HA       HIS  12   3.596  -3.222   8.423
   91   1HB   HIS  12          HB1       HIS  12   5.492  -1.736   6.696
   92   2HB   HIS  12          HB2       HIS  12   3.883  -1.020   6.805
   93    HD1  HIS  12           HD1      HIS  12   2.987  -1.078   9.517
   94    HD2  HIS  12           HD2      HIS  12   7.078  -0.826   8.751
   95    HE1  HIS  12           HE1      HIS  12   4.057  -0.174  11.627
   96    H    ILE  13           HN       ILE  13   1.462  -3.298   7.798
   97    HA   ILE  13           HA       ILE  13   0.866  -4.128   5.028
   98    HB   ILE  13           HB       ILE  13  -0.657  -3.939   7.643
   99   1HG1  ILE  13          HG11      ILE  13  -0.614  -6.465   6.179
  100   2HG1  ILE  13          HG12      ILE  13   1.009  -5.875   6.533
  101   1HG2  ILE  13          HG21      ILE  13  -2.325  -3.416   5.993
  102   2HG2  ILE  13          HG22      ILE  13  -2.513  -5.128   6.373
  103   3HG2  ILE  13          HG23      ILE  13  -1.701  -4.640   4.886
  104   1HD1  ILE  13          HD11      ILE  13   0.578  -5.803   8.876
  105   2HD1  ILE  13          HD12      ILE  13  -0.114  -7.333   8.335
  106   3HD1  ILE  13          HD13      ILE  13  -1.163  -5.948   8.634
  107    H    TYR  14           HN       TYR  14  -0.082  -2.803   3.527
  108    HA   TYR  14           HA       TYR  14  -0.595   0.027   4.268
  109   1HB   TYR  14          HB1       TYR  14   0.828  -0.413   2.351
  110   2HB   TYR  14          HB2       TYR  14  -0.352  -1.529   1.668
  111    HD1  TYR  14           HD1      TYR  14   0.053   2.036   2.720
  112    HD2  TYR  14           HD2      TYR  14  -1.960  -0.745   0.139
  113    HE1  TYR  14           HE1      TYR  14  -1.029   3.926   1.529
  114    HE2  TYR  14           HE2      TYR  14  -3.041   1.141  -1.052
  115    HH   TYR  14           HH       TYR  14  -3.659   3.561  -0.478
  116    H    ASP  15           HN       ASP  15  -2.667   0.707   4.608
  117    HA   ASP  15           HA       ASP  15  -4.917  -1.099   3.904
  118   1HB   ASP  15          HB2       ASP  15  -4.471  -0.005   6.193
  119   2HB   ASP  15          HB1       ASP  15  -4.952   1.515   5.439
  120    H    GLU  16           HN       GLU  16  -5.414  -0.739   1.733
  121    HA   GLU  16           HA       GLU  16  -5.187   1.574   0.200
  122   1HB   GLU  16          HB2       GLU  16  -6.999  -0.813   0.291
  123   2HB   GLU  16          HB1       GLU  16  -7.378   0.469  -0.854
  124   1HG   GLU  16          HG1       GLU  16  -4.828   0.299  -1.467
  125   2HG   GLU  16          HG2       GLU  16  -4.951  -1.297  -0.728
  126    H    ALA  17           HN       ALA  17  -7.669   0.786   2.590
  127    HA   ALA  17           HA       ALA  17  -9.271   3.175   1.877
  128   1HB   ALA  17          HB1       ALA  17 -10.089   1.821   4.284
  129   2HB   ALA  17          HB2       ALA  17  -9.665   0.612   3.072
  130   3HB   ALA  17          HB3       ALA  17 -10.890   1.828   2.713
  131    H    LEU  18           HN       LEU  18  -6.443   3.101   3.263
  132    HA   LEU  18           HA       LEU  18  -6.824   5.418   4.917
  133   1HB   LEU  18          HB1       LEU  18  -7.694   3.122   6.114
  134   2HB   LEU  18          HB2       LEU  18  -6.014   3.149   6.649
  135    HG   LEU  18           HG       LEU  18  -7.691   5.642   6.821
  136   1HD1  LEU  18          HD11      LEU  18  -9.102   4.180   8.018
  137   2HD1  LEU  18          HD12      LEU  18  -8.055   4.847   9.272
  138   3HD1  LEU  18          HD13      LEU  18  -7.747   3.232   8.633
  139   1HD2  LEU  18          HD21      LEU  18  -5.435   6.079   7.312
  140   2HD2  LEU  18          HD22      LEU  18  -5.211   4.522   8.111
  141   3HD2  LEU  18          HD23      LEU  18  -6.128   5.799   8.910
  142    H    GLY  19           HN       GLY  19  -5.000   5.525   3.172
  143   1HA   GLY  19          HA1       GLY  19  -2.537   4.126   3.560
  144   2HA   GLY  19          HA2       GLY  19  -2.710   5.645   2.682
  145    H    ASP  20           HN       ASP  20  -1.111   6.907   3.534
  146    HA   ASP  20           HA       ASP  20  -0.894   7.086   6.516
  147   1HB   ASP  20          HB2       ASP  20   1.086   6.256   5.324
  148   2HB   ASP  20          HB1       ASP  20   1.044   7.646   4.240
  149    H    GLU  21           HN       GLU  21  -0.167   9.330   7.260
  150    HA   GLU  21           HA       GLU  21  -1.906  11.371   6.021
  151   1HB   GLU  21          HB1       GLU  21  -0.391  10.923   8.562
  152   2HB   GLU  21          HB2       GLU  21  -0.722  12.595   8.110
  153   1HG   GLU  21          HG1       GLU  21  -3.073  12.242   8.111
  154   2HG   GLU  21          HG2       GLU  21  -2.888  10.487   8.115
  155    H    ALA  22           HN       ALA  22   1.561  10.978   6.818
  156    HA   ALA  22           HA       ALA  22   2.545  13.420   5.818
  157   1HB   ALA  22          HB1       ALA  22   3.848  10.697   5.503
  158   2HB   ALA  22          HB2       ALA  22   3.707  11.504   7.064
  159   3HB   ALA  22          HB3       ALA  22   4.650  12.245   5.770
  160    H    GLU  23           HN       GLU  23   1.938  10.365   4.054
  161    HA   GLU  23           HA       GLU  23   2.847  11.354   1.499
  162   1HB   GLU  23          HB2       GLU  23   1.149   9.062   2.499
  163   2HB   GLU  23          HB1       GLU  23   1.480   9.294   0.785
  164   1HG   GLU  23          HG1       GLU  23   3.771   8.895   1.033
  165   2HG   GLU  23          HG2       GLU  23   3.753   9.304   2.748
  166    H    GLY  24           HN       GLY  24  -0.226  11.383   3.224
  167   1HA   GLY  24          HA2       GLY  24  -2.028  12.889   2.779
  168   2HA   GLY  24          HA1       GLY  24  -1.299  13.261   1.217
  169    H    PHE  25           HN       PHE  25  -1.768   9.937   2.282
  170    HA   PHE  25           HA       PHE  25  -3.245   9.286  -0.109
  171   1HB   PHE  25          HB2       PHE  25  -2.159   7.997   2.292
  172   2HB   PHE  25          HB1       PHE  25  -3.693   7.286   1.810
  173    HD1  PHE  25           HD1      PHE  25  -3.420   7.771  -1.219
  174    HD2  PHE  25           HD2      PHE  25  -0.737   6.181   1.729
  175    HE1  PHE  25           HE1      PHE  25  -2.255   6.466  -2.977
  176    HE2  PHE  25           HE2      PHE  25   0.413   4.870  -0.024
  177    HZ   PHE  25           HZ       PHE  25  -0.336   5.019  -2.381
  178    H    THR  26           HN       THR  26  -5.032  10.889   0.051
  179    HA   THR  26           HA       THR  26  -6.887  11.188   2.105
  180    HB   THR  26           HB       THR  26  -6.719  12.398  -0.077
  181    HG1  THR  26           HG1      THR  26  -8.988  12.587  -0.338
  182   1HG2  THR  26          HG21      THR  26  -7.699  11.427  -2.074
  183   2HG2  THR  26          HG22      THR  26  -8.181   9.985  -1.177
  184   3HG2  THR  26          HG23      THR  26  -6.472  10.322  -1.452
  185    HA   PRO  27           HA       PRO  27  -8.844   7.303   2.770
  186   1HB   PRO  27          HB1       PRO  27 -11.399   8.845   2.865
  187   2HB   PRO  27          HB2       PRO  27 -10.701   7.756   4.076
  188   1HG   PRO  27          HG2       PRO  27 -10.681  10.418   4.375
  189   2HG   PRO  27          HG1       PRO  27  -9.367   9.394   4.967
  190   1HD   PRO  27          HD2       PRO  27  -9.438  11.208   2.620
  191   2HD   PRO  27          HD1       PRO  27  -8.071  10.743   3.654
  192    H    GLY  28           HN       GLY  28  -8.847   6.162   0.826
  193   1HA   GLY  28          HA2       GLY  28 -10.702   5.248  -0.694
  194   2HA   GLY  28          HA1       GLY  28 -10.922   6.926  -1.189
  195    H    THR  29           HN       THR  29  -7.861   5.185  -0.608
  196    HA   THR  29           HA       THR  29  -7.224   5.587  -3.510
  197    HB   THR  29           HB       THR  29  -4.981   5.568  -1.589
  198    HG1  THR  29           HG1      THR  29  -5.934   6.869  -0.251
  199   1HG2  THR  29          HG21      THR  29  -4.078   7.050  -3.105
  200   2HG2  THR  29          HG22      THR  29  -5.619   7.851  -3.399
  201   3HG2  THR  29          HG23      THR  29  -5.277   6.295  -4.153
  202    H    ARG  30           HN       ARG  30  -6.703   3.695  -4.519
  203    HA   ARG  30           HA       ARG  30  -5.804   1.392  -2.817
  204   1HB   ARG  30          HB1       ARG  30  -6.960   0.010  -4.532
  205   2HB   ARG  30          HB2       ARG  30  -8.064   1.186  -3.818
  206   1HG   ARG  30          HG1       ARG  30  -6.770   2.453  -6.020
  207   2HG   ARG  30          HG2       ARG  30  -7.335   0.878  -6.574
  208   1HD   ARG  30          HD1       ARG  30  -9.082   2.847  -5.054
  209   2HD   ARG  30          HD2       ARG  30  -9.070   2.692  -6.821
  210    HE   ARG  30           HE       ARG  30  -9.362   0.110  -5.536
  211   1HH1  ARG  30          HH22      ARG  30 -11.070   3.008  -6.435
  212   2HH1  ARG  30          HH21      ARG  30 -12.600   2.206  -6.537
  213   1HH2  ARG  30          HH12      ARG  30 -11.358  -0.907  -5.674
  214   2HH2  ARG  30          HH11      ARG  30 -12.763   0.006  -6.108
  215    H    PHE  31           HN       PHE  31  -4.082   0.111  -3.649
  216    HA   PHE  31           HA       PHE  31  -1.951   1.299  -4.997
  217   1HB   PHE  31          HB1       PHE  31  -2.723  -1.232  -4.005
  218   2HB   PHE  31          HB2       PHE  31  -2.228  -1.522  -5.671
  219    HD1  PHE  31           HD1      PHE  31  -1.051   0.814  -2.971
  220    HD2  PHE  31           HD2      PHE  31  -0.032  -2.277  -5.773
  221    HE1  PHE  31           HE1      PHE  31   1.322   0.984  -2.294
  222    HE2  PHE  31           HE2      PHE  31   2.347  -2.107  -5.093
  223    HZ   PHE  31           HZ       PHE  31   3.025  -0.477  -3.352
  224    H    GLU  32           HN       GLU  32  -4.660  -0.527  -6.444
  225    HA   GLU  32           HA       GLU  32  -3.735  -0.575  -9.133
  226   1HB   GLU  32          HB1       GLU  32  -5.623  -1.876  -8.310
  227   2HB   GLU  32          HB2       GLU  32  -6.509  -0.407  -7.905
  228   1HG   GLU  32          HG2       GLU  32  -7.120  -0.025 -10.076
  229   2HG   GLU  32          HG1       GLU  32  -5.580  -0.604 -10.714
  230    H    ASP  33           HN       ASP  33  -5.333   1.957  -7.253
  231    HA   ASP  33           HA       ASP  33  -5.536   3.707  -9.645
  232   1HB   ASP  33          HB1       ASP  33  -7.328   3.343  -7.825
  233   2HB   ASP  33          HB2       ASP  33  -6.288   4.301  -6.770
  234    H    ILE  34           HN       ILE  34  -3.010   2.893  -7.828
  235    HA   ILE  34           HA       ILE  34  -2.034   5.701  -7.442
  236    HB   ILE  34           HB       ILE  34  -1.313   3.035  -6.167
  237   1HG1  ILE  34          HG12      ILE  34  -2.386   5.545  -4.871
  238   2HG1  ILE  34          HG11      ILE  34  -3.444   4.278  -5.489
  239   1HG2  ILE  34          HG21      ILE  34   0.619   3.918  -5.421
  240   2HG2  ILE  34          HG22      ILE  34  -0.204   5.375  -4.865
  241   3HG2  ILE  34          HG23      ILE  34   0.365   5.266  -6.531
  242   1HD1  ILE  34          HD11      ILE  34  -2.676   4.213  -2.973
  243   2HD1  ILE  34          HD12      ILE  34  -1.183   3.556  -3.643
  244   3HD1  ILE  34          HD13      ILE  34  -2.712   2.717  -3.907
  245    HA   PRO  35           HA       PRO  35   0.323   3.556 -10.918
  246   1HB   PRO  35          HB1       PRO  35   0.048   5.662 -12.703
  247   2HB   PRO  35          HB2       PRO  35  -1.036   4.260 -12.648
  248   1HG   PRO  35          HG2       PRO  35  -1.407   6.995 -11.538
  249   2HG   PRO  35          HG1       PRO  35  -2.588   5.911 -12.287
  250   1HD   PRO  35          HD2       PRO  35  -2.419   6.292  -9.604
  251   2HD   PRO  35          HD1       PRO  35  -2.967   4.768 -10.333
  252    H    ASP  36           HN       ASP  36   0.315   6.668  -9.352
  253    HA   ASP  36           HA       ASP  36   2.661   7.877 -10.329
  254   1HB   ASP  36          HB1       ASP  36   0.848   8.078  -8.125
  255   2HB   ASP  36          HB2       ASP  36   2.485   8.158  -7.473
  256    H    ASP  37           HN       ASP  37   4.637   8.089  -8.588
  257    HA   ASP  37           HA       ASP  37   5.794   5.356  -8.459
  258   1HB   ASP  37          HB2       ASP  37   6.712   8.180  -8.644
  259   2HB   ASP  37          HB1       ASP  37   7.765   7.096  -7.733
  260    H    TRP  38           HN       TRP  38   3.775   5.924  -6.513
  261    HA   TRP  38           HA       TRP  38   4.588   6.944  -4.032
  262   1HB   TRP  38          HB1       TRP  38   2.320   6.182  -4.571
  263   2HB   TRP  38          HB2       TRP  38   2.887   4.519  -4.728
  264    HD1  TRP  38           HD1      TRP  38   2.304   7.251  -2.108
  265    HE1  TRP  38           HE1      TRP  38   2.196   6.155   0.221
  266    HE3  TRP  38           HE3      TRP  38   3.552   2.459  -3.338
  267    HZ2  TRP  38           HZ2      TRP  38   2.582   3.579   1.406
  268    HZ3  TRP  38           HZ3      TRP  38   3.666   0.703  -1.594
  269    HH2  TRP  38           HH2      TRP  38   3.189   1.257   0.775
  270    H    CYS  39           HN       CYS  39   5.784   6.117  -2.296
  271    HA   CYS  39           HA       CYS  39   7.038   3.421  -2.641
  272   1HB   CYS  39          HB2       CYS  39   8.237   6.151  -2.233
  273   2HB   CYS  39          HB1       CYS  39   9.074   4.745  -1.582
  274    HG   CYS  39           HG       CYS  39   9.769   5.298  -4.146
  275    H    CYS  40           HN       CYS  40   8.120   2.779  -0.465
  276    HA   CYS  40           HA       CYS  40   6.215   2.675   1.621
  277   1HB   CYS  40          HB1       CYS  40   8.792   1.720   1.017
  278   2HB   CYS  40          HB2       CYS  40   8.981   2.584   2.543
  279    HA   PRO  41           HA       PRO  41   6.591   6.627   3.519
  280   1HB   PRO  41          HB2       PRO  41   5.818   6.003   6.083
  281   2HB   PRO  41          HB1       PRO  41   4.681   6.128   4.728
  282   1HG   PRO  41          HG2       PRO  41   5.853   3.714   6.009
  283   2HG   PRO  41          HG1       PRO  41   4.231   3.967   5.353
  284   1HD   PRO  41          HD1       PRO  41   6.216   2.590   4.059
  285   2HD   PRO  41          HD2       PRO  41   4.869   3.403   3.235
  286    H    ASP  42           HN       ASP  42   8.587   3.994   4.403
  287    HA   ASP  42           HA       ASP  42  10.478   5.863   5.727
  288   1HB   ASP  42          HB1       ASP  42   8.953   3.610   6.961
  289   2HB   ASP  42          HB2       ASP  42  10.633   3.805   7.460
  290    H    CYS  43           HN       CYS  43  10.473   4.323   3.169
  291    HA   CYS  43           HA       CYS  43  13.039   2.870   3.624
  292   1HB   CYS  43          HB2       CYS  43  10.683   1.812   2.028
  293   2HB   CYS  43          HB1       CYS  43  12.211   0.982   2.293
  294    H    GLY  44           HN       GLY  44  10.776   3.421   0.897
  295   1HA   GLY  44          HA1       GLY  44  11.261   5.140  -0.811
  296   2HA   GLY  44          HA2       GLY  44  12.977   4.890  -0.493
  297    H    ALA  45           HN       ALA  45  10.724   2.207  -0.724
  298    HA   ALA  45           HA       ALA  45  12.170   1.308  -3.181
  299   1HB   ALA  45          HB1       ALA  45  11.994   0.025  -0.904
  300   2HB   ALA  45          HB2       ALA  45  11.727  -0.880  -2.394
  301   3HB   ALA  45          HB3       ALA  45  10.352  -0.346  -1.428
  302    H    THR  46           HN       THR  46  10.719  -0.059  -4.676
  303    HA   THR  46           HA       THR  46   8.289   1.510  -5.297
  304    HB   THR  46           HB       THR  46   8.425   0.265  -7.408
  305    HG1  THR  46           HG1      THR  46   9.799  -1.437  -7.632
  306   1HG2  THR  46          HG21      THR  46  10.359   1.994  -6.454
  307   2HG2  THR  46          HG22      THR  46  10.206   1.464  -8.129
  308   3HG2  THR  46          HG23      THR  46  11.313   0.630  -7.039
  309    H    LYS  47           HN       LYS  47   6.764  -0.486  -6.537
  310    HA   LYS  47           HA       LYS  47   5.342  -1.633  -4.307
  311   1HB   LYS  47          HB1       LYS  47   5.277  -2.214  -7.293
  312   2HB   LYS  47          HB2       LYS  47   4.016  -2.658  -6.142
  313   1HG   LYS  47          HG2       LYS  47   3.497  -0.363  -5.690
  314   2HG   LYS  47          HG1       LYS  47   4.943   0.199  -6.527
  315   1HD   LYS  47          HD1       LYS  47   4.043  -0.678  -8.659
  316   2HD   LYS  47          HD2       LYS  47   2.589  -1.216  -7.817
  317   1HE   LYS  47          HE2       LYS  47   2.891   1.485  -7.078
  318   2HE   LYS  47          HE1       LYS  47   3.227   1.434  -8.820
  319   1HZ   LYS  47          HZ1       LYS  47   1.223   0.170  -9.164
  320   2HZ   LYS  47          HZ2       LYS  47   0.826   1.585  -8.313
  321   3HZ   LYS  47          HZ3       LYS  47   0.921   0.100  -7.494
  322    H    GLU  48           HN       GLU  48   8.125  -2.681  -6.060
  323    HA   GLU  48           HA       GLU  48   7.911  -5.484  -6.098
  324   1HB   GLU  48          HB1       GLU  48   9.782  -3.737  -6.776
  325   2HB   GLU  48          HB2       GLU  48  10.415  -4.092  -5.169
  326   1HG   GLU  48          HG1       GLU  48  11.496  -5.661  -6.580
  327   2HG   GLU  48          HG2       GLU  48  10.186  -6.578  -5.836
  328    H    ASP  49           HN       ASP  49   8.964  -3.385  -3.403
  329    HA   ASP  49           HA       ASP  49   9.381  -5.557  -1.534
  330   1HB   ASP  49          HB1       ASP  49   8.809  -2.599  -1.116
  331   2HB   ASP  49          HB2       ASP  49   9.553  -3.680   0.061
  332    H    TYR  50           HN       TYR  50   6.588  -3.801  -2.647
  333    HA   TYR  50           HA       TYR  50   4.940  -4.680  -0.340
  334   1HB   TYR  50          HB1       TYR  50   4.849  -2.692  -2.562
  335   2HB   TYR  50          HB2       TYR  50   3.299  -3.317  -2.008
  336    HD1  TYR  50           HD1      TYR  50   5.937  -0.993  -1.356
  337    HD2  TYR  50           HD2      TYR  50   2.859  -3.307   0.542
  338    HE1  TYR  50           HE1      TYR  50   6.038   0.497   0.623
  339    HE2  TYR  50           HE2      TYR  50   2.960  -1.819   2.525
  340    HH   TYR  50           HH       TYR  50   4.391  -0.268   3.586
  341    H    VAL  51           HN       VAL  51   3.504  -6.369  -0.519
  342    HA   VAL  51           HA       VAL  51   2.944  -7.461  -3.256
  343    HB   VAL  51           HB       VAL  51   3.166  -9.716  -2.209
  344   1HG1  VAL  51          HG11      VAL  51   5.571  -9.716  -2.066
  345   2HG1  VAL  51          HG12      VAL  51   5.601  -8.008  -1.630
  346   3HG1  VAL  51          HG13      VAL  51   5.124  -8.494  -3.256
  347   1HG2  VAL  51          HG21      VAL  51   4.109  -8.161   0.219
  348   2HG2  VAL  51          HG22      VAL  51   4.040  -9.916   0.063
  349   3HG2  VAL  51          HG23      VAL  51   2.549  -8.975   0.094
  350    H    LEU  52           HN       LEU  52   0.973  -8.999  -3.128
  351    HA   LEU  52           HA       LEU  52  -1.220  -7.585  -1.813
  352   1HB   LEU  52          HB2       LEU  52  -0.950  -8.920  -4.110
  353   2HB   LEU  52          HB1       LEU  52  -1.461 -10.278  -3.115
  354    HG   LEU  52           HG       LEU  52  -3.409  -9.199  -4.161
  355   1HD1  LEU  52          HD11      LEU  52  -3.447 -10.106  -1.768
  356   2HD1  LEU  52          HD12      LEU  52  -4.737  -8.983  -2.196
  357   3HD1  LEU  52          HD13      LEU  52  -3.363  -8.426  -1.242
  358   1HD2  LEU  52          HD21      LEU  52  -3.149  -6.725  -2.564
  359   2HD2  LEU  52          HD22      LEU  52  -3.727  -6.943  -4.216
  360   3HD2  LEU  52          HD23      LEU  52  -1.995  -6.876  -3.889
  361    H    TYR  53           HN       TYR  53  -1.763  -7.987   0.293
  362    HA   TYR  53           HA       TYR  53  -0.753 -10.305   1.739
  363   1HB   TYR  53          HB2       TYR  53  -1.241  -7.896   2.541
  364   2HB   TYR  53          HB1       TYR  53  -2.936  -8.381   2.582
  365    HD1  TYR  53           HD1      TYR  53  -3.759  -9.961   4.229
  366    HD2  TYR  53           HD2      TYR  53   0.414  -8.967   4.030
  367    HE1  TYR  53           HE1      TYR  53  -3.395 -11.048   6.428
  368    HE2  TYR  53           HE2      TYR  53   0.779 -10.053   6.228
  369    HH   TYR  53           HH       TYR  53  -1.896 -11.163   8.196
  370    H    GLU  54           HN       GLU  54  -2.211 -11.833   2.887
  371    HA   GLU  54           HA       GLU  54  -4.757 -12.345   1.382
  372   1HB   GLU  54          HB2       GLU  54  -2.435 -14.080   2.185
  373   2HB   GLU  54          HB1       GLU  54  -4.035 -14.811   2.057
  374   1HG   GLU  54          HG2       GLU  54  -4.206 -14.334  -0.238
  375   2HG   GLU  54          HG1       GLU  54  -2.973 -13.075  -0.163
  376    H    GLU  55           HN       GLU  55  -6.310 -11.754   2.890
  377    HA   GLU  55           HA       GLU  55  -5.916 -12.191   5.761
  378   1HB   GLU  55          HB2       GLU  55  -7.845 -10.916   3.895
  379   2HB   GLU  55          HB1       GLU  55  -8.534 -11.490   5.413
  380   1HG   GLU  55          HG1       GLU  55  -6.310 -10.294   6.367
  381   2HG   GLU  55          HG2       GLU  55  -6.567  -9.312   4.924
  382    H    LYS  56           HN       LYS  56  -7.382 -13.531   7.055
  383    HA   LYS  56           HA       LYS  56  -7.723 -16.193   6.100
  384   1HB   LYS  56          HB2       LYS  56  -7.842 -14.803   8.488
  385   2HB   LYS  56          HB1       LYS  56  -9.522 -15.283   8.257
  386   1HG   LYS  56          HG1       LYS  56  -8.465 -17.073   9.455
  387   2HG   LYS  56          HG2       LYS  56  -8.659 -17.633   7.794
  388   1HD   LYS  56          HD2       LYS  56  -6.435 -18.183   8.143
  389   2HD   LYS  56          HD1       LYS  56  -6.249 -16.546   7.512
  390   1HE   LYS  56          HE1       LYS  56  -6.703 -16.282  10.307
  391   2HE   LYS  56          HE2       LYS  56  -5.482 -17.552  10.100
  392   1HZ   LYS  56          HZ1       LYS  56  -4.647 -15.167  10.076
  393   2HZ   LYS  56          HZ2       LYS  56  -5.408 -15.017   8.564
  394   3HZ   LYS  56          HZ3       LYS  56  -4.160 -16.149   8.779
  Start of MODEL    9
    1    H    ALA   1           HT1      ALA   1 -14.787  -5.083   0.373
    2    HA   ALA   1           HA       ALA   1 -13.804  -4.830  -1.737
    3   1HB   ALA   1          HB1       ALA   1 -15.544  -3.096  -0.618
    4   2HB   ALA   1          HB2       ALA   1 -14.985  -2.911  -2.282
    5   3HB   ALA   1          HB3       ALA   1 -14.241  -1.967  -0.990
    6    H    TYR   2           HN       TYR   2 -12.438  -2.409   0.525
    7    HA   TYR   2           HA       TYR   2 -10.307  -1.560  -1.201
    8   1HB   TYR   2          HB2       TYR   2 -10.837  -1.538   1.781
    9   2HB   TYR   2          HB1       TYR   2  -9.381  -0.814   1.098
   10    HD1  TYR   2           HD1      TYR   2 -10.142   0.478  -1.312
   11    HD2  TYR   2           HD2      TYR   2 -12.412   0.093   2.315
   12    HE1  TYR   2           HE1      TYR   2 -11.434   2.510  -1.905
   13    HE2  TYR   2           HE2      TYR   2 -13.703   2.126   1.722
   14    HH   TYR   2           HH       TYR   2 -12.765   4.325  -0.463
   15    H    LEU   3           HN       LEU   3  -8.284  -2.421  -1.531
   16    HA   LEU   3           HA       LEU   3  -7.715  -5.082  -0.330
   17   1HB   LEU   3          HB1       LEU   3  -6.975  -3.500  -2.753
   18   2HB   LEU   3          HB2       LEU   3  -5.775  -4.654  -2.168
   19    HG   LEU   3           HG       LEU   3  -7.669  -6.375  -2.115
   20   1HD1  LEU   3          HD11      LEU   3  -9.592  -4.940  -2.211
   21   2HD1  LEU   3          HD12      LEU   3  -9.533  -5.800  -3.749
   22   3HD1  LEU   3          HD13      LEU   3  -8.988  -4.125  -3.654
   23   1HD2  LEU   3          HD21      LEU   3  -5.859  -6.006  -3.946
   24   2HD2  LEU   3          HD22      LEU   3  -7.176  -5.315  -4.894
   25   3HD2  LEU   3          HD23      LEU   3  -7.264  -6.992  -4.355
   26    H    LYS   4           HN       LYS   4  -5.563  -5.508   0.557
   27    HA   LYS   4           HA       LYS   4  -4.195  -3.046   1.601
   28   1HB   LYS   4          HB1       LYS   4  -4.712  -5.777   2.830
   29   2HB   LYS   4          HB2       LYS   4  -3.677  -4.556   3.571
   30   1HG   LYS   4          HG2       LYS   4  -5.503  -3.615   4.487
   31   2HG   LYS   4          HG1       LYS   4  -6.097  -3.255   2.866
   32   1HD   LYS   4          HD2       LYS   4  -7.370  -5.235   2.762
   33   2HD   LYS   4          HD1       LYS   4  -6.451  -6.000   4.059
   34   1HE   LYS   4          HE1       LYS   4  -8.135  -5.328   5.441
   35   2HE   LYS   4          HE2       LYS   4  -7.494  -3.686   5.242
   36   1HZ   LYS   4          HZ1       LYS   4  -9.544  -5.043   3.570
   37   2HZ   LYS   4          HZ2       LYS   4  -8.796  -3.584   3.127
   38   3HZ   LYS   4          HZ3       LYS   4  -9.755  -3.656   4.527
   39    H    TRP   5           HN       TRP   5  -1.841  -3.344   1.964
   40    HA   TRP   5           HA       TRP   5  -0.651  -5.574   0.346
   41   1HB   TRP   5          HB2       TRP   5   0.086  -2.623   0.311
   42   2HB   TRP   5          HB1       TRP   5   0.852  -3.886  -0.654
   43    HD1  TRP   5           HD1      TRP   5  -2.592  -2.227  -0.176
   44    HE1  TRP   5           HE1      TRP   5  -3.876  -2.376  -2.397
   45    HE3  TRP   5           HE3      TRP   5   0.705  -5.008  -2.893
   46    HZ2  TRP   5           HZ2      TRP   5  -3.550  -3.538  -4.998
   47    HZ3  TRP   5           HZ3      TRP   5   0.197  -5.625  -5.239
   48    HH2  TRP   5           HH2      TRP   5  -1.924  -4.895  -6.293
   49    H    ILE   6           HN       ILE   6   0.911  -6.619   1.519
   50    HA   ILE   6           HA       ILE   6   1.985  -5.275   3.941
   51    HB   ILE   6           HB       ILE   6   0.866  -7.566   3.872
   52   1HG1  ILE   6          HG11      ILE   6   2.124  -6.848   5.810
   53   2HG1  ILE   6          HG12      ILE   6   2.449  -8.544   5.495
   54   1HG2  ILE   6          HG21      ILE   6   2.027  -8.385   1.833
   55   2HG2  ILE   6          HG22      ILE   6   2.242  -9.473   3.204
   56   3HG2  ILE   6          HG23      ILE   6   3.546  -8.386   2.727
   57   1HD1  ILE   6          HD11      ILE   6   4.237  -6.179   5.161
   58   2HD1  ILE   6          HD12      ILE   6   4.447  -7.549   4.067
   59   3HD1  ILE   6          HD13      ILE   6   4.601  -7.781   5.806
   60    H    CYS   7           HN       CYS   7   4.077  -4.541   3.970
   61    HA   CYS   7           HA       CYS   7   5.766  -4.813   1.594
   62   1HB   CYS   7          HB2       CYS   7   5.508  -2.809   3.194
   63   2HB   CYS   7          HB1       CYS   7   6.488  -3.731   4.337
   64    H    ILE   8           HN       ILE   8   6.275  -7.101   1.484
   65    HA   ILE   8           HA       ILE   8   7.030  -8.794   3.600
   66    HB   ILE   8           HB       ILE   8   8.223 -10.054   1.819
   67   1HG1  ILE   8          HG11      ILE   8   7.671  -7.635   0.083
   68   2HG1  ILE   8          HG12      ILE   8   9.249  -8.004   0.776
   69   1HG2  ILE   8          HG21      ILE   8   6.006 -10.576   1.574
   70   2HG2  ILE   8          HG22      ILE   8   6.210  -9.702   0.058
   71   3HG2  ILE   8          HG23      ILE   8   5.514  -8.887   1.457
   72   1HD1  ILE   8          HD11      ILE   8   9.636  -9.318  -1.016
   73   2HD1  ILE   8          HD12      ILE   8   7.972  -9.135  -1.571
   74   3HD1  ILE   8          HD13      ILE   8   8.380 -10.401  -0.414
   75    H    THR   9           HN       THR   9   8.805  -6.184   2.129
   76    HA   THR   9           HA       THR   9  11.428  -6.947   3.140
   77    HB   THR   9           HB       THR   9  10.167  -4.401   2.058
   78    HG1  THR   9           HG1      THR   9  12.061  -6.132   0.874
   79   1HG2  THR   9          HG21      THR   9  13.011  -5.021   2.864
   80   2HG2  THR   9          HG22      THR   9  12.020  -3.637   3.329
   81   3HG2  THR   9          HG23      THR   9  12.632  -3.770   1.680
   82    H    CYS  10           HN       CYS  10   8.680  -5.097   4.346
   83    HA   CYS  10           HA       CYS  10  10.289  -4.333   6.751
   84   1HB   CYS  10          HB2       CYS  10   8.142  -3.075   5.126
   85   2HB   CYS  10          HB1       CYS  10   8.215  -2.665   6.836
   86    H    GLY  11           HN       GLY  11   6.984  -5.307   5.757
   87   1HA   GLY  11          HA2       GLY  11   5.907  -7.145   7.056
   88   2HA   GLY  11          HA1       GLY  11   6.646  -6.454   8.499
   89    H    HIS  12           HN       HIS  12   6.025  -3.687   7.323
   90    HA   HIS  12           HA       HIS  12   3.509  -3.279   8.687
   91   1HB   HIS  12          HB2       HIS  12   5.292  -1.589   8.506
   92   2HB   HIS  12          HB1       HIS  12   5.131  -1.584   6.749
   93    HD1  HIS  12           HD1      HIS  12   4.005   0.206   9.644
   94    HD2  HIS  12           HD2      HIS  12   2.255  -0.847   6.010
   95    HE1  HIS  12           HE1      HIS  12   2.010   1.735   9.341
   96    H    ILE  13           HN       ILE  13   1.459  -2.946   7.798
   97    HA   ILE  13           HA       ILE  13   1.140  -3.846   4.961
   98    HB   ILE  13           HB       ILE  13  -0.744  -3.777   7.350
   99   1HG1  ILE  13          HG11      ILE  13   0.034  -6.325   6.081
  100   2HG1  ILE  13          HG12      ILE  13   1.347  -5.466   6.882
  101   1HG2  ILE  13          HG21      ILE  13  -2.188  -3.655   5.513
  102   2HG2  ILE  13          HG22      ILE  13  -2.014  -5.397   5.719
  103   3HG2  ILE  13          HG23      ILE  13  -1.094  -4.560   4.468
  104   1HD1  ILE  13          HD11      ILE  13  -1.330  -5.980   8.198
  105   2HD1  ILE  13          HD12      ILE  13   0.154  -5.414   8.967
  106   3HD1  ILE  13          HD13      ILE  13   0.047  -7.069   8.368
  107    H    TYR  14           HN       TYR  14  -0.285  -2.714   3.598
  108    HA   TYR  14           HA       TYR  14  -0.749   0.143   4.359
  109   1HB   TYR  14          HB1       TYR  14   0.617  -0.277   2.369
  110   2HB   TYR  14          HB2       TYR  14  -0.629  -1.330   1.697
  111    HD1  TYR  14           HD1      TYR  14  -0.145   2.147   2.990
  112    HD2  TYR  14           HD2      TYR  14  -2.232  -0.408   0.240
  113    HE1  TYR  14           HE1      TYR  14  -1.246   4.131   1.981
  114    HE2  TYR  14           HE2      TYR  14  -3.331   1.572  -0.768
  115    HH   TYR  14           HH       TYR  14  -3.919   3.989   0.104
  116    H    ASP  15           HN       ASP  15  -2.828   0.796   4.710
  117    HA   ASP  15           HA       ASP  15  -5.043  -1.083   4.027
  118   1HB   ASP  15          HB2       ASP  15  -4.374   0.077   6.361
  119   2HB   ASP  15          HB1       ASP  15  -5.382   1.370   5.709
  120    H    GLU  16           HN       GLU  16  -5.694  -0.561   1.943
  121    HA   GLU  16           HA       GLU  16  -5.597   1.896   0.613
  122   1HB   GLU  16          HB2       GLU  16  -7.246  -0.595   0.532
  123   2HB   GLU  16          HB1       GLU  16  -7.821   0.772  -0.418
  124   1HG   GLU  16          HG2       GLU  16  -5.491   0.937  -1.403
  125   2HG   GLU  16          HG1       GLU  16  -5.125  -0.594  -0.608
  126    H    ALA  17           HN       ALA  17  -7.779   0.891   3.160
  127    HA   ALA  17           HA       ALA  17  -9.721   3.040   2.635
  128   1HB   ALA  17          HB1       ALA  17 -10.461   2.069   4.993
  129   2HB   ALA  17          HB2       ALA  17  -9.315   0.791   4.589
  130   3HB   ALA  17          HB3       ALA  17 -10.690   1.109   3.532
  131    H    LEU  18           HN       LEU  18  -6.675   3.311   3.656
  132    HA   LEU  18           HA       LEU  18  -7.074   5.791   5.057
  133   1HB   LEU  18          HB1       LEU  18  -7.615   3.592   6.591
  134   2HB   LEU  18          HB2       LEU  18  -5.899   3.816   6.933
  135    HG   LEU  18           HG       LEU  18  -7.793   6.158   7.017
  136   1HD1  LEU  18          HD11      LEU  18  -7.136   4.390   9.385
  137   2HD1  LEU  18          HD12      LEU  18  -8.642   4.259   8.477
  138   3HD1  LEU  18          HD13      LEU  18  -8.258   5.750   9.337
  139   1HD2  LEU  18          HD21      LEU  18  -5.038   5.473   7.952
  140   2HD2  LEU  18          HD22      LEU  18  -5.977   6.609   8.921
  141   3HD2  LEU  18          HD23      LEU  18  -5.636   6.965   7.227
  142    H    GLY  19           HN       GLY  19  -5.460   5.779   3.097
  143   1HA   GLY  19          HA1       GLY  19  -2.877   4.600   3.344
  144   2HA   GLY  19          HA2       GLY  19  -3.256   5.996   2.337
  145    H    ASP  20           HN       ASP  20  -1.390   7.164   2.892
  146    HA   ASP  20           HA       ASP  20  -0.739   7.670   5.719
  147   1HB   ASP  20          HB1       ASP  20   0.480   7.753   3.092
  148   2HB   ASP  20          HB2       ASP  20   0.769   9.278   3.934
  149    H    GLU  21           HN       GLU  21  -0.251  10.072   6.262
  150    HA   GLU  21           HA       GLU  21  -2.559  11.741   5.329
  151   1HB   GLU  21          HB2       GLU  21  -2.283  10.971   7.762
  152   2HB   GLU  21          HB1       GLU  21  -0.877  12.031   7.838
  153   1HG   GLU  21          HG2       GLU  21  -2.278  13.959   7.230
  154   2HG   GLU  21          HG1       GLU  21  -3.689  12.907   7.108
  155    H    ALA  22           HN       ALA  22   0.915  11.549   5.536
  156    HA   ALA  22           HA       ALA  22   1.426  14.399   5.193
  157   1HB   ALA  22          HB1       ALA  22   3.711  13.660   5.086
  158   2HB   ALA  22          HB2       ALA  22   3.232  12.044   4.565
  159   3HB   ALA  22          HB3       ALA  22   2.910  12.570   6.218
  160    H    GLU  23           HN       GLU  23   1.983  11.603   3.005
  161    HA   GLU  23           HA       GLU  23   2.490  13.110   0.657
  162   1HB   GLU  23          HB1       GLU  23   2.937  10.706   0.926
  163   2HB   GLU  23          HB2       GLU  23   1.210  10.382   1.075
  164   1HG   GLU  23          HG2       GLU  23   1.763   9.882  -1.194
  165   2HG   GLU  23          HG1       GLU  23   0.963  11.452  -1.240
  166    H    GLY  24           HN       GLY  24  -0.503  12.458   2.311
  167   1HA   GLY  24          HA2       GLY  24  -2.525  13.704   1.859
  168   2HA   GLY  24          HA1       GLY  24  -1.948  13.988   0.216
  169    H    PHE  25           HN       PHE  25  -1.861  10.834   1.787
  170    HA   PHE  25           HA       PHE  25  -3.348   9.636  -0.421
  171   1HB   PHE  25          HB1       PHE  25  -1.607   8.926   1.795
  172   2HB   PHE  25          HB2       PHE  25  -2.998   7.857   1.762
  173    HD1  PHE  25           HD1      PHE  25  -1.754   5.896   1.107
  174    HD2  PHE  25           HD2      PHE  25  -1.598   9.463  -1.271
  175    HE1  PHE  25           HE1      PHE  25  -0.703   4.616  -0.741
  176    HE2  PHE  25           HE2      PHE  25  -0.542   8.189  -3.118
  177    HZ   PHE  25           HZ       PHE  25  -0.096   5.762  -2.855
  178    H    THR  26           HN       THR  26  -5.348  10.977   0.019
  179    HA   THR  26           HA       THR  26  -6.924  10.925   2.321
  180    HB   THR  26           HB       THR  26  -7.249  12.198   0.187
  181    HG1  THR  26           HG1      THR  26  -8.957  12.108   1.626
  182   1HG2  THR  26          HG21      THR  26  -8.886  10.165  -1.094
  183   2HG2  THR  26          HG22      THR  26  -7.209   9.643  -0.940
  184   3HG2  THR  26          HG23      THR  26  -7.590  11.149  -1.776
  185    HA   PRO  27           HA       PRO  27  -8.175   6.765   3.002
  186   1HB   PRO  27          HB1       PRO  27 -10.907   7.832   3.526
  187   2HB   PRO  27          HB2       PRO  27  -9.849   6.885   4.588
  188   1HG   PRO  27          HG2       PRO  27 -10.285   9.509   4.959
  189   2HG   PRO  27          HG1       PRO  27  -8.742   8.739   5.350
  190   1HD   PRO  27          HD2       PRO  27  -9.450  10.507   3.070
  191   2HD   PRO  27          HD1       PRO  27  -7.904  10.319   3.923
  192    H    GLY  28           HN       GLY  28  -8.640   5.345   1.370
  193   1HA   GLY  28          HA2       GLY  28 -10.433   4.381  -0.063
  194   2HA   GLY  28          HA1       GLY  28 -10.881   6.034  -0.488
  195    H    THR  29           HN       THR  29  -7.506   5.247  -0.223
  196    HA   THR  29           HA       THR  29  -7.213   5.682  -3.153
  197    HB   THR  29           HB       THR  29  -5.199   5.553  -0.875
  198    HG1  THR  29           HG1      THR  29  -5.725   7.540  -0.511
  199   1HG2  THR  29          HG21      THR  29  -4.539   5.219  -3.409
  200   2HG2  THR  29          HG22      THR  29  -3.581   6.287  -2.382
  201   3HG2  THR  29          HG23      THR  29  -4.775   6.965  -3.489
  202    H    ARG  30           HN       ARG  30  -6.625   4.020  -4.498
  203    HA   ARG  30           HA       ARG  30  -5.969   1.384  -3.237
  204   1HB   ARG  30          HB2       ARG  30  -8.032   1.615  -4.632
  205   2HB   ARG  30          HB1       ARG  30  -7.031   2.112  -5.995
  206   1HG   ARG  30          HG1       ARG  30  -6.193  -0.009  -6.332
  207   2HG   ARG  30          HG2       ARG  30  -6.315  -0.442  -4.626
  208   1HD   ARG  30          HD1       ARG  30  -8.160  -1.631  -5.281
  209   2HD   ARG  30          HD2       ARG  30  -8.967  -0.051  -5.334
  210    HE   ARG  30           HE       ARG  30  -8.824  -0.124  -7.697
  211   1HH1  ARG  30          HH21      ARG  30  -6.655  -2.429  -6.250
  212   2HH1  ARG  30          HH22      ARG  30  -6.212  -3.133  -7.766
  213   1HH2  ARG  30          HH11      ARG  30  -8.235  -1.053  -9.655
  214   2HH2  ARG  30          HH12      ARG  30  -7.099  -2.360  -9.682
  215    H    PHE  31           HN       PHE  31  -4.082   0.308  -3.867
  216    HA   PHE  31           HA       PHE  31  -1.781   1.637  -4.704
  217   1HB   PHE  31          HB1       PHE  31  -2.717  -1.028  -4.268
  218   2HB   PHE  31          HB2       PHE  31  -1.818  -1.029  -5.784
  219    HD1  PHE  31           HD1      PHE  31   0.314  -1.891  -5.358
  220    HD2  PHE  31           HD2      PHE  31  -1.391   0.967  -2.642
  221    HE1  PHE  31           HE1      PHE  31   2.446  -1.823  -4.092
  222    HE2  PHE  31           HE2      PHE  31   0.742   1.035  -1.375
  223    HZ   PHE  31           HZ       PHE  31   2.659  -0.362  -2.101
  224    H    GLU  32           HN       GLU  32  -4.039  -0.184  -6.815
  225    HA   GLU  32           HA       GLU  32  -2.742   0.150  -9.284
  226   1HB   GLU  32          HB1       GLU  32  -4.764  -1.198  -8.759
  227   2HB   GLU  32          HB2       GLU  32  -5.710   0.286  -8.667
  228   1HG   GLU  32          HG2       GLU  32  -6.063   0.026 -10.889
  229   2HG   GLU  32          HG1       GLU  32  -4.378   0.503 -11.101
  230    H    ASP  33           HN       ASP  33  -5.096   2.334  -7.718
  231    HA   ASP  33           HA       ASP  33  -4.930   4.361  -9.788
  232   1HB   ASP  33          HB1       ASP  33  -6.753   3.819  -7.996
  233   2HB   ASP  33          HB2       ASP  33  -5.750   4.782  -6.909
  234    H    ILE  34           HN       ILE  34  -2.818   3.448  -7.234
  235    HA   ILE  34           HA       ILE  34  -1.731   6.160  -6.812
  236    HB   ILE  34           HB       ILE  34  -1.033   3.369  -5.844
  237   1HG1  ILE  34          HG12      ILE  34  -2.044   5.735  -4.266
  238   2HG1  ILE  34          HG11      ILE  34  -3.144   4.611  -5.059
  239   1HG2  ILE  34          HG21      ILE  34   0.190   6.023  -5.029
  240   2HG2  ILE  34          HG22      ILE  34   1.012   4.751  -5.933
  241   3HG2  ILE  34          HG23      ILE  34   0.515   4.467  -4.265
  242   1HD1  ILE  34          HD11      ILE  34  -0.992   3.361  -3.452
  243   2HD1  ILE  34          HD12      ILE  34  -2.698   2.930  -3.575
  244   3HD1  ILE  34          HD13      ILE  34  -2.197   4.259  -2.530
  245    HA   PRO  35           HA       PRO  35   0.951   5.535 -10.364
  246   1HB   PRO  35          HB1       PRO  35   2.413   7.861 -10.002
  247   2HB   PRO  35          HB2       PRO  35   0.848   7.796 -10.830
  248   1HG   PRO  35          HG2       PRO  35   1.494   8.625  -8.048
  249   2HG   PRO  35          HG1       PRO  35   0.301   9.287  -9.174
  250   1HD   PRO  35          HD2       PRO  35  -0.350   7.643  -7.109
  251   2HD   PRO  35          HD1       PRO  35  -1.277   7.715  -8.622
  252    H    ASP  36           HN       ASP  36   3.556   5.996 -10.521
  253    HA   ASP  36           HA       ASP  36   4.741   4.229  -8.528
  254   1HB   ASP  36          HB2       ASP  36   5.678   5.811 -10.933
  255   2HB   ASP  36          HB1       ASP  36   6.816   4.896  -9.943
  256    H    ASP  37           HN       ASP  37   4.405   7.672  -8.902
  257    HA   ASP  37           HA       ASP  37   6.637   8.742  -7.608
  258   1HB   ASP  37          HB2       ASP  37   4.665   9.929  -8.628
  259   2HB   ASP  37          HB1       ASP  37   3.722   9.505  -7.200
  260    H    TRP  38           HN       TRP  38   3.805   7.169  -6.137
  261    HA   TRP  38           HA       TRP  38   4.636   7.726  -3.398
  262   1HB   TRP  38          HB1       TRP  38   2.295   7.431  -4.006
  263   2HB   TRP  38          HB2       TRP  38   2.631   5.845  -4.698
  264    HD1  TRP  38           HD1      TRP  38   2.099   7.627  -1.394
  265    HE1  TRP  38           HE1      TRP  38   1.932   5.876   0.492
  266    HE3  TRP  38           HE3      TRP  38   3.443   3.426  -3.966
  267    HZ2  TRP  38           HZ2      TRP  38   2.316   3.067   0.859
  268    HZ3  TRP  38           HZ3      TRP  38   3.536   1.230  -2.827
  269    HH2  TRP  38           HH2      TRP  38   2.973   1.043  -0.419
  270    H    CYS  39           HN       CYS  39   5.339   6.058  -1.878
  271    HA   CYS  39           HA       CYS  39   6.295   3.478  -2.948
  272   1HB   CYS  39          HB2       CYS  39   8.647   4.020  -2.270
  273   2HB   CYS  39          HB1       CYS  39   8.067   5.071  -3.553
  274    HG   CYS  39           HG       CYS  39   7.519   6.347  -0.876
  275    H    CYS  40           HN       CYS  40   8.057   2.906  -0.825
  276    HA   CYS  40           HA       CYS  40   6.146   2.411   1.336
  277   1HB   CYS  40          HB1       CYS  40   8.218   1.057   0.281
  278   2HB   CYS  40          HB2       CYS  40   9.074   1.884   1.579
  279    HA   PRO  41           HA       PRO  41   7.337   5.963   3.674
  280   1HB   PRO  41          HB1       PRO  41   6.503   4.744   6.166
  281   2HB   PRO  41          HB2       PRO  41   5.649   5.958   5.202
  282   1HG   PRO  41          HG2       PRO  41   4.865   3.329   5.554
  283   2HG   PRO  41          HG1       PRO  41   4.297   4.415   4.283
  284   1HD   PRO  41          HD2       PRO  41   6.236   2.189   4.133
  285   2HD   PRO  41          HD1       PRO  41   5.172   2.862   2.882
  286    H    ASP  42           HN       ASP  42   8.654   2.827   4.260
  287    HA   ASP  42           HA       ASP  42  10.720   4.040   6.069
  288   1HB   ASP  42          HB1       ASP  42   8.966   2.125   6.725
  289   2HB   ASP  42          HB2       ASP  42  10.174   1.096   5.957
  290    H    CYS  43           HN       CYS  43  10.186   2.523   3.030
  291    HA   CYS  43           HA       CYS  43  13.108   1.863   2.822
  292   1HB   CYS  43          HB1       CYS  43  10.626   0.764   1.463
  293   2HB   CYS  43          HB2       CYS  43  12.261   0.354   0.953
  294    H    GLY  44           HN       GLY  44  10.545   2.451   0.406
  295   1HA   GLY  44          HA2       GLY  44  10.538   4.653  -0.808
  296   2HA   GLY  44          HA1       GLY  44  12.299   4.580  -0.745
  297    H    ALA  45           HN       ALA  45  10.346   1.734  -1.380
  298    HA   ALA  45           HA       ALA  45  11.476   1.678  -4.154
  299   1HB   ALA  45          HB1       ALA  45  10.849  -0.336  -2.015
  300   2HB   ALA  45          HB2       ALA  45  12.289  -0.199  -3.025
  301   3HB   ALA  45          HB3       ALA  45  10.799  -0.860  -3.699
  302    H    THR  46           HN       THR  46   9.911  -0.024  -5.457
  303    HA   THR  46           HA       THR  46   7.297   1.356  -5.583
  304    HB   THR  46           HB       THR  46   7.133   0.129  -7.706
  305    HG1  THR  46           HG1      THR  46   8.238  -1.624  -8.026
  306   1HG2  THR  46          HG21      THR  46   9.836   0.677  -8.248
  307   2HG2  THR  46          HG22      THR  46   9.385   1.795  -6.960
  308   3HG2  THR  46          HG23      THR  46   8.471   1.772  -8.469
  309    H    LYS  47           HN       LYS  47   5.785  -0.798  -6.619
  310    HA   LYS  47           HA       LYS  47   4.746  -2.006  -4.241
  311   1HB   LYS  47          HB2       LYS  47   3.409  -1.630  -6.234
  312   2HB   LYS  47          HB1       LYS  47   4.497  -2.616  -7.209
  313   1HG   LYS  47          HG2       LYS  47   3.456  -4.044  -4.868
  314   2HG   LYS  47          HG1       LYS  47   2.186  -3.518  -5.974
  315   1HD   LYS  47          HD2       LYS  47   3.163  -4.684  -7.810
  316   2HD   LYS  47          HD1       LYS  47   4.678  -4.931  -6.942
  317   1HE   LYS  47          HE1       LYS  47   3.432  -6.362  -5.288
  318   2HE   LYS  47          HE2       LYS  47   1.993  -6.211  -6.313
  319   1HZ   LYS  47          HZ1       LYS  47   3.184  -7.137  -8.150
  320   2HZ   LYS  47          HZ2       LYS  47   3.401  -8.186  -6.833
  321   3HZ   LYS  47          HZ3       LYS  47   4.649  -7.128  -7.291
  322    H    GLU  48           HN       GLU  48   7.512  -2.824  -6.124
  323    HA   GLU  48           HA       GLU  48   7.663  -5.604  -6.139
  324   1HB   GLU  48          HB1       GLU  48   9.562  -3.320  -5.764
  325   2HB   GLU  48          HB2       GLU  48  10.190  -4.945  -5.482
  326   1HG   GLU  48          HG2       GLU  48   9.287  -5.613  -7.730
  327   2HG   GLU  48          HG1       GLU  48   8.851  -3.926  -8.006
  328    H    ASP  49           HN       ASP  49   8.458  -3.460  -3.378
  329    HA   ASP  49           HA       ASP  49   8.998  -5.714  -1.594
  330   1HB   ASP  49          HB1       ASP  49   9.241  -3.862   0.050
  331   2HB   ASP  49          HB2       ASP  49  10.110  -3.502  -1.441
  332    H    TYR  50           HN       TYR  50   6.190  -3.909  -2.561
  333    HA   TYR  50           HA       TYR  50   4.645  -4.695  -0.159
  334   1HB   TYR  50          HB1       TYR  50   4.474  -2.808  -2.442
  335   2HB   TYR  50          HB2       TYR  50   2.931  -3.463  -1.900
  336    HD1  TYR  50           HD1      TYR  50   2.590  -3.511   0.713
  337    HD2  TYR  50           HD2      TYR  50   5.331  -0.935  -1.350
  338    HE1  TYR  50           HE1      TYR  50   2.598  -1.970   2.658
  339    HE2  TYR  50           HE2      TYR  50   5.343   0.610   0.591
  340    HH   TYR  50           HH       TYR  50   3.576   1.106   2.555
  341    H    VAL  51           HN       VAL  51   3.391  -6.516  -0.152
  342    HA   VAL  51           HA       VAL  51   2.668  -7.736  -2.797
  343    HB   VAL  51           HB       VAL  51   3.427  -9.003  -0.140
  344   1HG1  VAL  51          HG21      VAL  51   3.225 -11.153  -1.367
  345   2HG1  VAL  51          HG22      VAL  51   2.600 -10.281  -2.767
  346   3HG1  VAL  51          HG23      VAL  51   1.677 -10.315  -1.265
  347   1HG2  VAL  51          HG11      VAL  51   5.253  -9.977  -1.674
  348   2HG2  VAL  51          HG12      VAL  51   5.401  -8.272  -1.247
  349   3HG2  VAL  51          HG13      VAL  51   4.777  -8.733  -2.831
  350    H    LEU  52           HN       LEU  52   0.626  -9.019  -2.706
  351    HA   LEU  52           HA       LEU  52  -1.462  -7.581  -1.278
  352   1HB   LEU  52          HB2       LEU  52  -1.280  -8.898  -3.609
  353   2HB   LEU  52          HB1       LEU  52  -1.870 -10.227  -2.619
  354    HG   LEU  52           HG       LEU  52  -3.755  -9.022  -3.634
  355   1HD1  LEU  52          HD11      LEU  52  -5.040  -8.679  -1.646
  356   2HD1  LEU  52          HD12      LEU  52  -3.601  -8.272  -0.711
  357   3HD1  LEU  52          HD13      LEU  52  -3.857  -9.929  -1.257
  358   1HD2  LEU  52          HD21      LEU  52  -3.736  -6.570  -2.224
  359   2HD2  LEU  52          HD22      LEU  52  -3.560  -6.804  -3.964
  360   3HD2  LEU  52          HD23      LEU  52  -2.130  -6.742  -2.934
  361    H    TYR  53           HN       TYR  53  -1.670  -7.955   0.907
  362    HA   TYR  53           HA       TYR  53  -0.776 -10.150   2.401
  363   1HB   TYR  53          HB2       TYR  53  -1.828  -7.855   3.048
  364   2HB   TYR  53          HB1       TYR  53  -3.371  -8.704   2.965
  365    HD1  TYR  53           HD1      TYR  53  -4.154  -9.400   5.046
  366    HD2  TYR  53           HD2      TYR  53   0.067  -9.503   4.256
  367    HE1  TYR  53           HE1      TYR  53  -3.753 -10.339   7.306
  368    HE2  TYR  53           HE2      TYR  53   0.468 -10.442   6.516
  369    HH   TYR  53           HH       TYR  53  -1.257 -11.920   8.223
  370    H    GLU  54           HN       GLU  54  -1.677 -12.155   2.973
  371    HA   GLU  54           HA       GLU  54  -4.377 -12.881   2.001
  372   1HB   GLU  54          HB2       GLU  54  -3.433 -14.768   0.677
  373   2HB   GLU  54          HB1       GLU  54  -2.858 -13.213   0.077
  374   1HG   GLU  54          HG1       GLU  54  -0.828 -13.539   1.601
  375   2HG   GLU  54          HG2       GLU  54  -1.370 -15.204   1.802
  376    H    GLU  55           HN       GLU  55  -5.287 -14.362   3.396
  377    HA   GLU  55           HA       GLU  55  -3.782 -15.225   5.741
  378   1HB   GLU  55          HB2       GLU  55  -6.263 -14.531   5.481
  379   2HB   GLU  55          HB1       GLU  55  -6.518 -16.151   4.832
  380   1HG   GLU  55          HG2       GLU  55  -5.272 -16.946   6.983
  381   2HG   GLU  55          HG1       GLU  55  -5.653 -15.340   7.602
  382    H    LYS  56           HN       LYS  56  -2.217 -16.775   5.198
  383    HA   LYS  56           HA       LYS  56  -1.359 -18.869   4.519
  384   1HB   LYS  56          HB2       LYS  56  -4.201 -19.274   5.414
  385   2HB   LYS  56          HB1       LYS  56  -3.319 -20.649   4.750
  386   1HG   LYS  56          HG1       LYS  56  -1.674 -20.561   6.446
  387   2HG   LYS  56          HG2       LYS  56  -2.111 -18.917   6.906
  388   1HD   LYS  56          HD2       LYS  56  -4.345 -19.791   7.654
  389   2HD   LYS  56          HD1       LYS  56  -3.760 -21.425   7.340
  390   1HE   LYS  56          HE2       LYS  56  -1.955 -21.124   8.983
  391   2HE   LYS  56          HE1       LYS  56  -2.470 -19.449   9.261
  392   1HZ   LYS  56          HZ1       LYS  56  -4.592 -20.200  10.005
  393   2HZ   LYS  56          HZ2       LYS  56  -3.429 -21.095  10.859
  394   3HZ   LYS  56          HZ3       LYS  56  -4.260 -21.804   9.558
  Start of MODEL   10
    1    H    ALA   1           HT1      ALA   1 -15.730  -2.908   0.932
    2    HA   ALA   1           HA       ALA   1 -14.351  -3.916  -0.889
    3   1HB   ALA   1          HB1       ALA   1 -16.300  -2.233  -0.988
    4   2HB   ALA   1          HB2       ALA   1 -15.252  -2.289  -2.405
    5   3HB   ALA   1          HB3       ALA   1 -15.073  -0.990  -1.226
    6    H    TYR   2           HN       TYR   2 -12.342  -2.852   1.066
    7    HA   TYR   2           HA       TYR   2 -10.504  -1.500  -0.886
    8   1HB   TYR   2          HB2       TYR   2 -11.016  -1.196   2.075
    9   2HB   TYR   2          HB1       TYR   2  -9.477  -0.684   1.382
   10    HD1  TYR   2           HD1      TYR   2  -9.745   0.721  -0.895
   11    HD2  TYR   2           HD2      TYR   2 -12.723   0.385   2.182
   12    HE1  TYR   2           HE1      TYR   2 -10.800   2.821  -1.686
   13    HE2  TYR   2           HE2      TYR   2 -13.779   2.485   1.391
   14    HH   TYR   2           HH       TYR   2 -13.107   3.870  -1.582
   15    H    LEU   3           HN       LEU   3  -8.579  -2.540  -1.253
   16    HA   LEU   3           HA       LEU   3  -8.126  -5.161  -0.004
   17   1HB   LEU   3          HB1       LEU   3  -7.361  -3.644  -2.372
   18   2HB   LEU   3          HB2       LEU   3  -5.958  -4.423  -1.641
   19    HG   LEU   3           HG       LEU   3  -7.327  -6.559  -1.555
   20   1HD1  LEU   3          HD11      LEU   3  -9.121  -6.203  -3.612
   21   2HD1  LEU   3          HD12      LEU   3  -9.272  -4.685  -2.726
   22   3HD1  LEU   3          HD13      LEU   3  -9.546  -6.219  -1.900
   23   1HD2  LEU   3          HD21      LEU   3  -7.274  -5.979  -4.421
   24   2HD2  LEU   3          HD22      LEU   3  -6.308  -7.125  -3.493
   25   3HD2  LEU   3          HD23      LEU   3  -5.812  -5.436  -3.598
   26    H    LYS   4           HN       LYS   4  -5.766  -5.640   0.670
   27    HA   LYS   4           HA       LYS   4  -4.516  -3.315   2.074
   28   1HB   LYS   4          HB1       LYS   4  -5.398  -5.999   3.175
   29   2HB   LYS   4          HB2       LYS   4  -4.245  -4.971   4.023
   30   1HG   LYS   4          HG2       LYS   4  -5.831  -3.314   4.447
   31   2HG   LYS   4          HG1       LYS   4  -6.844  -3.795   3.086
   32   1HD   LYS   4          HD1       LYS   4  -7.503  -5.841   4.267
   33   2HD   LYS   4          HD2       LYS   4  -6.439  -5.426   5.612
   34   1HE   LYS   4          HE1       LYS   4  -7.783  -3.538   6.217
   35   2HE   LYS   4          HE2       LYS   4  -8.679  -3.600   4.689
   36   1HZ   LYS   4          HZ1       LYS   4  -9.928  -4.673   6.473
   37   2HZ   LYS   4          HZ2       LYS   4  -8.632  -5.729   6.770
   38   3HZ   LYS   4          HZ3       LYS   4  -9.473  -5.810   5.296
   39    H    TRP   5           HN       TRP   5  -2.320  -3.306   1.734
   40    HA   TRP   5           HA       TRP   5  -1.078  -5.793   0.603
   41   1HB   TRP   5          HB2       TRP   5  -0.206  -2.882   0.494
   42   2HB   TRP   5          HB1       TRP   5   0.529  -4.215  -0.390
   43    HD1  TRP   5           HD1      TRP   5  -2.985  -2.610  -0.057
   44    HE1  TRP   5           HE1      TRP   5  -4.094  -2.641  -2.374
   45    HE3  TRP   5           HE3      TRP   5   0.642  -5.012  -2.725
   46    HZ2  TRP   5           HZ2      TRP   5  -3.522  -3.572  -5.024
   47    HZ3  TRP   5           HZ3      TRP   5   0.335  -5.460  -5.142
   48    HH2  TRP   5           HH2      TRP   5  -1.739  -4.744  -6.294
   49    H    ILE   6           HN       ILE   6   1.442  -5.675   1.092
   50    HA   ILE   6           HA       ILE   6   2.090  -4.659   3.777
   51    HB   ILE   6           HB       ILE   6   0.935  -6.714   4.333
   52   1HG1  ILE   6          HG12      ILE   6   2.677  -7.962   5.462
   53   2HG1  ILE   6          HG11      ILE   6   3.902  -7.335   4.361
   54   1HG2  ILE   6          HG21      ILE   6   2.735  -7.990   2.256
   55   2HG2  ILE   6          HG22      ILE   6   0.985  -7.799   2.156
   56   3HG2  ILE   6          HG23      ILE   6   1.687  -8.888   3.351
   57   1HD1  ILE   6          HD11      ILE   6   3.298  -6.239   6.808
   58   2HD1  ILE   6          HD12      ILE   6   2.324  -5.249   5.720
   59   3HD1  ILE   6          HD13      ILE   6   4.069  -5.363   5.484
   60    H    CYS   7           HN       CYS   7   4.208  -4.077   3.759
   61    HA   CYS   7           HA       CYS   7   5.883  -4.693   1.446
   62   1HB   CYS   7          HB2       CYS   7   5.694  -2.527   2.831
   63   2HB   CYS   7          HB1       CYS   7   6.648  -3.360   4.059
   64    H    ILE   8           HN       ILE   8   6.443  -6.918   1.500
   65    HA   ILE   8           HA       ILE   8   7.154  -8.445   3.764
   66    HB   ILE   8           HB       ILE   8   6.720  -9.382   1.561
   67   1HG1  ILE   8          HG12      ILE   8   9.577 -10.045   1.779
   68   2HG1  ILE   8          HG11      ILE   8   8.646 -10.257   3.258
   69   1HG2  ILE   8          HG21      ILE   8   9.200  -8.837   0.261
   70   2HG2  ILE   8          HG22      ILE   8   8.487  -7.309   0.776
   71   3HG2  ILE   8          HG23      ILE   8   7.572  -8.403  -0.260
   72   1HD1  ILE   8          HD11      ILE   8   8.793 -12.080   1.178
   73   2HD1  ILE   8          HD12      ILE   8   7.269 -11.250   0.865
   74   3HD1  ILE   8          HD13      ILE   8   7.537 -12.047   2.416
   75    H    THR   9           HN       THR   9   8.903  -5.929   2.150
   76    HA   THR   9           HA       THR   9  11.562  -6.679   3.057
   77    HB   THR   9           HB       THR   9  10.264  -4.129   2.028
   78    HG1  THR   9           HG1      THR   9  10.326  -5.654   0.461
   79   1HG2  THR   9          HG21      THR   9  13.159  -4.791   2.607
   80   2HG2  THR   9          HG22      THR   9  12.217  -3.431   3.221
   81   3HG2  THR   9          HG23      THR   9  12.678  -3.488   1.519
   82    H    CYS  10           HN       CYS  10   8.874  -4.830   4.372
   83    HA   CYS  10           HA       CYS  10  10.560  -4.137   6.751
   84   1HB   CYS  10          HB2       CYS  10   8.381  -2.746   5.246
   85   2HB   CYS  10          HB1       CYS  10   8.697  -2.312   6.921
   86    H    GLY  11           HN       GLY  11   7.178  -4.791   5.772
   87   1HA   GLY  11          HA2       GLY  11   5.959  -6.621   6.937
   88   2HA   GLY  11          HA1       GLY  11   6.805  -6.150   8.410
   89    H    HIS  12           HN       HIS  12   5.720  -3.594   6.339
   90    HA   HIS  12           HA       HIS  12   3.680  -2.850   8.385
   91   1HB   HIS  12          HB2       HIS  12   5.674  -1.400   7.503
   92   2HB   HIS  12          HB1       HIS  12   4.666  -1.170   6.074
   93    HD1  HIS  12           HD1      HIS  12   3.076   0.742   6.218
   94    HD2  HIS  12           HD2      HIS  12   4.109  -0.670  10.001
   95    HE1  HIS  12           HE1      HIS  12   1.932   2.264   7.887
   96    H    ILE  13           HN       ILE  13   1.585  -3.338   7.873
   97    HA   ILE  13           HA       ILE  13   0.837  -4.076   5.139
   98    HB   ILE  13           HB       ILE  13  -0.651  -3.813   7.775
   99   1HG1  ILE  13          HG12      ILE  13  -0.050  -6.366   6.309
  100   2HG1  ILE  13          HG11      ILE  13   1.213  -5.606   7.275
  101   1HG2  ILE  13          HG21      ILE  13  -2.003  -5.558   6.002
  102   2HG2  ILE  13          HG22      ILE  13  -1.670  -4.087   5.088
  103   3HG2  ILE  13          HG23      ILE  13  -2.567  -4.000   6.604
  104   1HD1  ILE  13          HD11      ILE  13   0.145  -6.041   9.259
  105   2HD1  ILE  13          HD12      ILE  13  -0.570  -7.348   8.315
  106   3HD1  ILE  13          HD13      ILE  13  -1.460  -5.844   8.555
  107    H    TYR  14           HN       TYR  14  -0.223  -2.792   3.684
  108    HA   TYR  14           HA       TYR  14  -0.705   0.043   4.403
  109   1HB   TYR  14          HB1       TYR  14   0.558  -0.409   2.394
  110   2HB   TYR  14          HB2       TYR  14  -0.631  -1.583   1.839
  111    HD1  TYR  14           HD1      TYR  14  -0.423   2.002   2.885
  112    HD2  TYR  14           HD2      TYR  14  -2.208  -0.882   0.251
  113    HE1  TYR  14           HE1      TYR  14  -1.642   3.822   1.718
  114    HE2  TYR  14           HE2      TYR  14  -3.425   0.937  -0.916
  115    HH   TYR  14           HH       TYR  14  -4.126   3.154  -0.635
  116    H    ASP  15           HN       ASP  15  -2.738   0.729   4.895
  117    HA   ASP  15           HA       ASP  15  -5.055  -1.051   4.305
  118   1HB   ASP  15          HB2       ASP  15  -4.320   0.086   6.590
  119   2HB   ASP  15          HB1       ASP  15  -5.145   1.491   5.914
  120    H    GLU  16           HN       GLU  16  -5.724  -0.572   2.205
  121    HA   GLU  16           HA       GLU  16  -5.513   1.804   0.766
  122   1HB   GLU  16          HB2       GLU  16  -7.392  -0.529   0.868
  123   2HB   GLU  16          HB1       GLU  16  -7.801   0.817  -0.191
  124   1HG   GLU  16          HG2       GLU  16  -5.537   0.650  -1.222
  125   2HG   GLU  16          HG1       GLU  16  -5.212  -0.759  -0.213
  126    H    ALA  17           HN       ALA  17  -7.711   1.072   3.397
  127    HA   ALA  17           HA       ALA  17  -9.339   3.498   2.849
  128   1HB   ALA  17          HB1       ALA  17 -10.932   2.375   4.061
  129   2HB   ALA  17          HB2       ALA  17  -9.769   1.864   5.284
  130   3HB   ALA  17          HB3       ALA  17  -9.902   0.974   3.768
  131    H    LEU  18           HN       LEU  18  -6.420   3.419   3.851
  132    HA   LEU  18           HA       LEU  18  -6.601   5.633   5.686
  133   1HB   LEU  18          HB1       LEU  18  -7.278   3.323   6.884
  134   2HB   LEU  18          HB2       LEU  18  -5.527   3.182   7.037
  135    HG   LEU  18           HG       LEU  18  -6.495   4.302   9.011
  136   1HD1  LEU  18          HD11      LEU  18  -4.234   4.942   8.250
  137   2HD1  LEU  18          HD12      LEU  18  -5.073   6.319   8.965
  138   3HD1  LEU  18          HD13      LEU  18  -4.935   6.182   7.211
  139   1HD2  LEU  18          HD21      LEU  18  -7.234   6.647   7.288
  140   2HD2  LEU  18          HD22      LEU  18  -7.832   6.209   8.889
  141   3HD2  LEU  18          HD23      LEU  18  -8.376   5.315   7.470
  142    H    GLY  19           HN       GLY  19  -5.092   5.805   3.607
  143   1HA   GLY  19          HA1       GLY  19  -2.490   4.535   3.791
  144   2HA   GLY  19          HA2       GLY  19  -2.922   5.842   2.690
  145    H    ASP  20           HN       ASP  20  -1.224   7.246   3.067
  146    HA   ASP  20           HA       ASP  20  -0.593   7.999   5.879
  147   1HB   ASP  20          HB1       ASP  20   0.758   7.889   3.226
  148   2HB   ASP  20          HB2       ASP  20   1.261   9.203   4.292
  149    H    GLU  21           HN       GLU  21   0.022  10.426   6.069
  150    HA   GLU  21           HA       GLU  21  -2.145  12.040   4.787
  151   1HB   GLU  21          HB2       GLU  21  -2.023  11.820   7.279
  152   2HB   GLU  21          HB1       GLU  21  -0.414  12.542   7.238
  153   1HG   GLU  21          HG1       GLU  21  -2.430  14.108   5.785
  154   2HG   GLU  21          HG2       GLU  21  -2.778  13.946   7.505
  155    H    ALA  22           HN       ALA  22   1.317  11.695   5.073
  156    HA   ALA  22           HA       ALA  22   1.928  14.377   4.045
  157   1HB   ALA  22          HB1       ALA  22   4.137  13.732   4.504
  158   2HB   ALA  22          HB2       ALA  22   3.828  12.043   4.104
  159   3HB   ALA  22          HB3       ALA  22   3.244  12.707   5.629
  160    H    GLU  23           HN       GLU  23   1.553  11.112   2.757
  161    HA   GLU  23           HA       GLU  23   2.661  11.831   0.132
  162   1HB   GLU  23          HB2       GLU  23   1.272   9.399   1.309
  163   2HB   GLU  23          HB1       GLU  23   1.972   9.447  -0.304
  164   1HG   GLU  23          HG1       GLU  23   4.005  10.432   1.322
  165   2HG   GLU  23          HG2       GLU  23   3.297   9.127   2.275
  166    H    GLY  24           HN       GLY  24  -0.070  12.875   1.451
  167   1HA   GLY  24          HA2       GLY  24  -2.148  13.543   0.596
  168   2HA   GLY  24          HA1       GLY  24  -1.441  13.324  -1.004
  169    H    PHE  25           HN       PHE  25  -1.576  10.683   1.301
  170    HA   PHE  25           HA       PHE  25  -3.189   9.109  -0.589
  171   1HB   PHE  25          HB1       PHE  25  -1.285   8.789   1.593
  172   2HB   PHE  25          HB2       PHE  25  -2.673   7.742   1.833
  173    HD1  PHE  25           HD1      PHE  25  -1.563   8.734  -1.558
  174    HD2  PHE  25           HD2      PHE  25  -1.366   5.730   1.501
  175    HE1  PHE  25           HE1      PHE  25  -0.616   7.131  -3.197
  176    HE2  PHE  25           HE2      PHE  25  -0.420   4.123  -0.137
  177    HZ   PHE  25           HZ       PHE  25  -0.043   4.825  -2.484
  178    H    THR  26           HN       THR  26  -5.167  10.500  -0.252
  179    HA   THR  26           HA       THR  26  -6.507  10.781   2.232
  180    HB   THR  26           HB       THR  26  -6.918  11.945   0.050
  181    HG1  THR  26           HG1      THR  26  -8.743  12.378   0.952
  182   1HG2  THR  26          HG21      THR  26  -8.438   9.439  -0.694
  183   2HG2  THR  26          HG22      THR  26  -6.816   9.795  -1.284
  184   3HG2  THR  26          HG23      THR  26  -8.158  10.864  -1.698
  185    HA   PRO  27           HA       PRO  27  -8.055   6.786   3.208
  186   1HB   PRO  27          HB2       PRO  27 -10.702   8.000   3.781
  187   2HB   PRO  27          HB1       PRO  27  -9.607   7.136   4.874
  188   1HG   PRO  27          HG2       PRO  27  -9.977   9.797   5.001
  189   2HG   PRO  27          HG1       PRO  27  -8.437   9.027   5.408
  190   1HD   PRO  27          HD2       PRO  27  -9.206  10.559   2.975
  191   2HD   PRO  27          HD1       PRO  27  -7.638  10.455   3.803
  192    H    GLY  28           HN       GLY  28  -8.580   5.357   1.597
  193   1HA   GLY  28          HA2       GLY  28 -10.469   4.351   0.323
  194   2HA   GLY  28          HA1       GLY  28 -10.959   5.990  -0.102
  195    H    THR  29           HN       THR  29  -7.652   4.706  -0.106
  196    HA   THR  29           HA       THR  29  -7.561   5.247  -3.055
  197    HB   THR  29           HB       THR  29  -5.272   5.194  -1.061
  198    HG1  THR  29           HG1      THR  29  -5.956   7.033  -0.371
  199   1HG2  THR  29          HG21      THR  29  -4.788   7.037  -3.093
  200   2HG2  THR  29          HG22      THR  29  -5.581   5.698  -3.923
  201   3HG2  THR  29          HG23      THR  29  -4.112   5.410  -2.990
  202    H    ARG  30           HN       ARG  30  -7.091   3.512  -4.346
  203    HA   ARG  30           HA       ARG  30  -6.213   0.975  -3.020
  204   1HB   ARG  30          HB2       ARG  30  -8.419   1.104  -4.221
  205   2HB   ARG  30          HB1       ARG  30  -7.545   1.480  -5.706
  206   1HG   ARG  30          HG1       ARG  30  -6.269  -0.679  -5.398
  207   2HG   ARG  30          HG2       ARG  30  -7.362  -1.064  -4.069
  208   1HD   ARG  30          HD2       ARG  30  -8.643  -0.248  -6.636
  209   2HD   ARG  30          HD1       ARG  30  -7.876  -1.846  -6.596
  210    HE   ARG  30           HE       ARG  30  -9.447  -1.336  -4.204
  211   1HH1  ARG  30          HH12      ARG  30  -9.610  -2.321  -7.539
  212   2HH1  ARG  30          HH11      ARG  30 -11.067  -3.224  -7.315
  213   1HH2  ARG  30          HH21      ARG  30 -11.338  -2.513  -3.938
  214   2HH2  ARG  30          HH22      ARG  30 -12.041  -3.334  -5.291
  215    H    PHE  31           HN       PHE  31  -4.358  -0.073  -3.785
  216    HA   PHE  31           HA       PHE  31  -2.216   1.301  -4.929
  217   1HB   PHE  31          HB1       PHE  31  -2.954  -1.357  -4.194
  218   2HB   PHE  31          HB2       PHE  31  -2.230  -1.456  -5.799
  219    HD1  PHE  31           HD1      PHE  31  -1.671   0.276  -2.513
  220    HD2  PHE  31           HD2      PHE  31   0.091  -1.628  -5.937
  221    HE1  PHE  31           HE1      PHE  31   0.578   0.546  -1.506
  222    HE2  PHE  31           HE2      PHE  31   2.341  -1.356  -4.930
  223    HZ   PHE  31           HZ       PHE  31   2.585  -0.270  -2.714
  224    H    GLU  32           HN       GLU  32  -4.685  -0.630  -6.666
  225    HA   GLU  32           HA       GLU  32  -3.651  -0.412  -9.288
  226   1HB   GLU  32          HB1       GLU  32  -5.547  -1.813  -8.675
  227   2HB   GLU  32          HB2       GLU  32  -6.491  -0.400  -8.205
  228   1HG   GLU  32          HG1       GLU  32  -6.904   0.219 -10.392
  229   2HG   GLU  32          HG2       GLU  32  -5.393  -0.472 -10.984
  230    H    ASP  33           HN       ASP  33  -5.102   1.998  -7.227
  231    HA   ASP  33           HA       ASP  33  -5.309   3.912  -9.514
  232   1HB   ASP  33          HB2       ASP  33  -6.646   3.467  -6.890
  233   2HB   ASP  33          HB1       ASP  33  -6.434   5.150  -7.369
  234    H    ILE  34           HN       ILE  34  -2.830   3.010  -7.865
  235    HA   ILE  34           HA       ILE  34  -1.986   5.756  -6.992
  236    HB   ILE  34           HB       ILE  34  -1.284   2.957  -6.043
  237   1HG1  ILE  34          HG12      ILE  34  -2.498   5.312  -4.577
  238   2HG1  ILE  34          HG11      ILE  34  -3.438   3.997  -5.281
  239   1HG2  ILE  34          HG21      ILE  34  -0.243   5.103  -4.397
  240   2HG2  ILE  34          HG22      ILE  34   0.416   5.200  -6.029
  241   3HG2  ILE  34          HG23      ILE  34   0.607   3.721  -5.088
  242   1HD1  ILE  34          HD11      ILE  34  -1.216   3.067  -3.601
  243   2HD1  ILE  34          HD12      ILE  34  -2.910   2.575  -3.595
  244   3HD1  ILE  34          HD13      ILE  34  -2.409   4.019  -2.717
  245    HA   PRO  35           HA       PRO  35   0.814   4.330 -10.410
  246   1HB   PRO  35          HB1       PRO  35   0.253   6.232 -12.267
  247   2HB   PRO  35          HB2       PRO  35  -0.762   4.789 -12.079
  248   1HG   PRO  35          HG2       PRO  35  -1.215   7.573 -11.112
  249   2HG   PRO  35          HG1       PRO  35  -2.370   6.411 -11.780
  250   1HD   PRO  35          HD2       PRO  35  -2.034   6.936  -9.087
  251   2HD   PRO  35          HD1       PRO  35  -2.745   5.453  -9.754
  252    H    ASP  36           HN       ASP  36   0.777   6.668  -8.179
  253    HA   ASP  36           HA       ASP  36   2.706   8.536  -9.408
  254   1HB   ASP  36          HB2       ASP  36   0.900   8.369  -7.089
  255   2HB   ASP  36          HB1       ASP  36   2.444   9.136  -6.715
  256    H    ASP  37           HN       ASP  37   3.474   5.664  -8.916
  257    HA   ASP  37           HA       ASP  37   5.307   4.468  -8.032
  258   1HB   ASP  37          HB2       ASP  37   6.233   6.501  -9.332
  259   2HB   ASP  37          HB1       ASP  37   6.508   7.235  -7.752
  260    H    TRP  38           HN       TRP  38   3.342   5.045  -6.065
  261    HA   TRP  38           HA       TRP  38   4.166   6.364  -3.720
  262   1HB   TRP  38          HB1       TRP  38   1.946   5.385  -4.099
  263   2HB   TRP  38          HB2       TRP  38   2.641   3.764  -4.125
  264    HD1  TRP  38           HD1      TRP  38   2.371   6.766  -1.695
  265    HE1  TRP  38           HE1      TRP  38   2.221   5.835   0.706
  266    HE3  TRP  38           HE3      TRP  38   2.881   1.777  -2.649
  267    HZ2  TRP  38           HZ2      TRP  38   2.307   3.311   2.042
  268    HZ3  TRP  38           HZ3      TRP  38   2.843   0.133  -0.798
  269    HH2  TRP  38           HH2      TRP  38   2.555   0.893   1.546
  270    H    CYS  39           HN       CYS  39   5.329   5.617  -1.842
  271    HA   CYS  39           HA       CYS  39   6.986   3.156  -2.274
  272   1HB   CYS  39          HB1       CYS  39   7.788   5.941  -1.358
  273   2HB   CYS  39          HB2       CYS  39   8.860   4.542  -1.274
  274    HG   CYS  39           HG       CYS  39   9.429   5.168  -3.612
  275    H    CYS  40           HN       CYS  40   8.372   3.096   0.054
  276    HA   CYS  40           HA       CYS  40   6.318   2.402   2.028
  277   1HB   CYS  40          HB1       CYS  40   8.940   1.651   1.302
  278   2HB   CYS  40          HB2       CYS  40   9.094   2.363   2.905
  279    HA   PRO  41           HA       PRO  41   6.529   6.042   4.496
  280   1HB   PRO  41          HB1       PRO  41   6.819   4.483   6.978
  281   2HB   PRO  41          HB2       PRO  41   5.444   5.454   6.429
  282   1HG   PRO  41          HG1       PRO  41   5.411   2.746   6.541
  283   2HG   PRO  41          HG2       PRO  41   4.448   3.688   5.394
  284   1HD   PRO  41          HD1       PRO  41   6.955   2.144   4.946
  285   2HD   PRO  41          HD2       PRO  41   5.568   2.395   3.863
  286    H    ASP  42           HN       ASP  42   8.881   3.499   5.241
  287    HA   ASP  42           HA       ASP  42  10.996   5.562   5.509
  288   1HB   ASP  42          HB1       ASP  42   9.970   3.697   7.645
  289   2HB   ASP  42          HB2       ASP  42  11.662   4.192   7.664
  290    H    CYS  43           HN       CYS  43  10.906   3.991   3.353
  291    HA   CYS  43           HA       CYS  43  13.038   1.950   3.834
  292   1HB   CYS  43          HB1       CYS  43  10.467   1.246   3.651
  293   2HB   CYS  43          HB2       CYS  43  10.786   1.409   1.926
  294    H    GLY  44           HN       GLY  44  11.061   3.401   1.212
  295   1HA   GLY  44          HA1       GLY  44  11.896   4.729  -0.600
  296   2HA   GLY  44          HA2       GLY  44  13.538   4.288  -0.133
  297    H    ALA  45           HN       ALA  45  10.778   2.118  -0.719
  298    HA   ALA  45           HA       ALA  45  12.353   0.910  -2.971
  299   1HB   ALA  45          HB1       ALA  45  12.204  -1.029  -1.806
  300   2HB   ALA  45          HB2       ALA  45  10.449  -0.879  -1.732
  301   3HB   ALA  45          HB3       ALA  45  11.450  -0.134  -0.487
  302    H    THR  46           HN       THR  46  10.838  -0.385  -4.475
  303    HA   THR  46           HA       THR  46   8.548   1.351  -5.198
  304    HB   THR  46           HB       THR  46   8.644  -0.073  -7.268
  305    HG1  THR  46           HG1      THR  46  10.382  -1.554  -7.378
  306   1HG2  THR  46          HG21      THR  46  10.798   1.592  -6.191
  307   2HG2  THR  46          HG22      THR  46  10.059   1.611  -7.792
  308   3HG2  THR  46          HG23      THR  46  11.356   0.471  -7.433
  309    H    LYS  47           HN       LYS  47   6.759  -0.282  -6.349
  310    HA   LYS  47           HA       LYS  47   5.314  -1.485  -4.195
  311   1HB   LYS  47          HB1       LYS  47   5.173  -1.852  -7.212
  312   2HB   LYS  47          HB2       LYS  47   3.903  -2.330  -6.083
  313   1HG   LYS  47          HG1       LYS  47   3.074  -0.244  -6.362
  314   2HG   LYS  47          HG2       LYS  47   4.429   0.302  -5.374
  315   1HD   LYS  47          HD2       LYS  47   5.105   1.504  -7.162
  316   2HD   LYS  47          HD1       LYS  47   5.526  -0.030  -7.925
  317   1HE   LYS  47          HE2       LYS  47   2.658   0.518  -8.107
  318   2HE   LYS  47          HE1       LYS  47   3.634   1.781  -8.879
  319   1HZ   LYS  47          HZ1       LYS  47   4.931  -0.001  -9.956
  320   2HZ   LYS  47          HZ2       LYS  47   3.300  -0.023 -10.428
  321   3HZ   LYS  47          HZ3       LYS  47   3.873  -1.155  -9.300
  322    H    GLU  48           HN       GLU  48   7.953  -2.667  -6.093
  323    HA   GLU  48           HA       GLU  48   7.473  -5.441  -6.232
  324   1HB   GLU  48          HB2       GLU  48   9.387  -4.252  -7.232
  325   2HB   GLU  48          HB1       GLU  48  10.018  -3.890  -5.625
  326   1HG   GLU  48          HG1       GLU  48   9.579  -6.677  -5.666
  327   2HG   GLU  48          HG2       GLU  48  10.346  -6.291  -7.206
  328    H    ASP  49           HN       ASP  49   8.648  -3.484  -3.502
  329    HA   ASP  49           HA       ASP  49   9.102  -5.774  -1.757
  330   1HB   ASP  49          HB1       ASP  49   8.838  -2.773  -1.359
  331   2HB   ASP  49          HB2       ASP  49   9.299  -3.884  -0.069
  332    H    TYR  50           HN       TYR  50   6.335  -3.865  -2.647
  333    HA   TYR  50           HA       TYR  50   4.810  -4.656  -0.232
  334   1HB   TYR  50          HB1       TYR  50   4.669  -2.694  -2.458
  335   2HB   TYR  50          HB2       TYR  50   3.115  -3.282  -1.874
  336    HD1  TYR  50           HD1      TYR  50   6.000  -1.201  -1.164
  337    HD2  TYR  50           HD2      TYR  50   2.555  -3.083   0.580
  338    HE1  TYR  50           HE1      TYR  50   6.190   0.286   0.813
  339    HE2  TYR  50           HE2      TYR  50   2.744  -1.596   2.556
  340    HH   TYR  50           HH       TYR  50   3.704   0.385   3.278
  341    H    VAL  51           HN       VAL  51   3.448  -6.396  -0.258
  342    HA   VAL  51           HA       VAL  51   2.627  -7.514  -2.921
  343    HB   VAL  51           HB       VAL  51   2.855  -9.734  -1.816
  344   1HG1  VAL  51          HG11      VAL  51   5.098  -9.819  -2.239
  345   2HG1  VAL  51          HG12      VAL  51   5.455  -8.481  -1.147
  346   3HG1  VAL  51          HG13      VAL  51   4.857  -8.156  -2.773
  347   1HG2  VAL  51          HG21      VAL  51   3.751  -9.922   0.419
  348   2HG2  VAL  51          HG22      VAL  51   2.370  -8.828   0.493
  349   3HG2  VAL  51          HG23      VAL  51   4.011  -8.180   0.515
  350    H    LEU  52           HN       LEU  52   0.642  -9.028  -2.580
  351    HA   LEU  52           HA       LEU  52  -1.448  -7.483  -1.250
  352   1HB   LEU  52          HB2       LEU  52  -1.293  -9.029  -3.447
  353   2HB   LEU  52          HB1       LEU  52  -1.841 -10.252  -2.309
  354    HG   LEU  52           HG       LEU  52  -3.771  -9.191  -3.387
  355   1HD1  LEU  52          HD11      LEU  52  -3.894  -9.833  -0.972
  356   2HD1  LEU  52          HD12      LEU  52  -4.980  -8.508  -1.392
  357   3HD1  LEU  52          HD13      LEU  52  -3.466  -8.175  -0.549
  358   1HD2  LEU  52          HD21      LEU  52  -3.430  -6.562  -2.144
  359   2HD2  LEU  52          HD22      LEU  52  -3.886  -6.969  -3.798
  360   3HD2  LEU  52          HD23      LEU  52  -2.183  -6.913  -3.340
  361    H    TYR  53           HN       TYR  53  -1.777  -7.695   0.929
  362    HA   TYR  53           HA       TYR  53  -0.719  -9.869   2.503
  363   1HB   TYR  53          HB2       TYR  53  -1.218  -7.468   3.185
  364   2HB   TYR  53          HB1       TYR  53  -2.928  -7.904   3.196
  365    HD1  TYR  53           HD1      TYR  53   0.370  -8.580   4.752
  366    HD2  TYR  53           HD2      TYR  53  -3.866  -9.258   4.952
  367    HE1  TYR  53           HE1      TYR  53   0.632  -9.535   7.025
  368    HE2  TYR  53           HE2      TYR  53  -3.605 -10.215   7.225
  369    HH   TYR  53           HH       TYR  53  -1.866 -11.260   8.589
  370    H    GLU  54           HN       GLU  54  -1.729 -11.728   3.237
  371    HA   GLU  54           HA       GLU  54  -3.296 -13.498   3.226
  372   1HB   GLU  54          HB1       GLU  54  -4.281 -11.223   4.417
  373   2HB   GLU  54          HB2       GLU  54  -5.544 -11.574   3.238
  374   1HG   GLU  54          HG1       GLU  54  -4.540 -13.922   4.732
  375   2HG   GLU  54          HG2       GLU  54  -5.406 -12.733   5.706
  376    H    GLU  55           HN       GLU  55  -3.014 -14.226   1.028
  377    HA   GLU  55           HA       GLU  55  -4.131 -13.056  -1.298
  378   1HB   GLU  55          HB1       GLU  55  -2.474 -14.975  -1.043
  379   2HB   GLU  55          HB2       GLU  55  -3.849 -16.015  -0.672
  380   1HG   GLU  55          HG1       GLU  55  -4.172 -16.295  -2.883
  381   2HG   GLU  55          HG2       GLU  55  -4.551 -14.578  -3.007
  382    H    LYS  56           HN       LYS  56  -6.280 -12.560  -1.555
  383    HA   LYS  56           HA       LYS  56  -8.631 -12.776  -1.498
  384   1HB   LYS  56          HB1       LYS  56  -7.800 -14.751  -2.877
  385   2HB   LYS  56          HB2       LYS  56  -7.929 -15.730  -1.416
  386   1HG   LYS  56          HG1       LYS  56 -10.356 -14.222  -1.762
  387   2HG   LYS  56          HG2       LYS  56  -9.993 -15.087  -3.255
  388   1HD   LYS  56          HD1       LYS  56  -9.608 -16.628  -0.749
  389   2HD   LYS  56          HD2       LYS  56 -11.278 -16.227  -1.153
  390   1HE   LYS  56          HE1       LYS  56 -11.226 -17.462  -3.144
  391   2HE   LYS  56          HE2       LYS  56  -9.462 -17.348  -3.282
  392   1HZ   LYS  56          HZ1       LYS  56 -10.450 -19.534  -2.416
  393   2HZ   LYS  56          HZ2       LYS  56 -10.745 -18.685  -0.975
  394   3HZ   LYS  56          HZ3       LYS  56  -9.156 -18.858  -1.549
  Start of MODEL   11
    1    H    ALA   1           HT1      ALA   1 -15.451  -2.593  -1.790
    2    HA   ALA   1           HA       ALA   1 -14.996  -2.886   0.551
    3   1HB   ALA   1          HB1       ALA   1 -13.796  -4.990   1.196
    4   2HB   ALA   1          HB2       ALA   1 -13.945  -5.551  -0.470
    5   3HB   ALA   1          HB3       ALA   1 -15.390  -5.312   0.514
    6    H    TYR   2           HN       TYR   2 -12.537  -3.186   1.441
    7    HA   TYR   2           HA       TYR   2 -10.742  -2.023  -0.667
    8   1HB   TYR   2          HB2       TYR   2 -11.288  -1.383   2.229
    9   2HB   TYR   2          HB1       TYR   2  -9.736  -0.944   1.514
   10    HD1  TYR   2           HD1      TYR   2  -9.909   0.238  -0.865
   11    HD2  TYR   2           HD2      TYR   2 -13.056   0.125   2.056
   12    HE1  TYR   2           HE1      TYR   2 -10.960   2.221  -1.921
   13    HE2  TYR   2           HE2      TYR   2 -14.107   2.108   1.000
   14    HH   TYR   2           HH       TYR   2 -13.013   3.357  -2.059
   15    H    LEU   3           HN       LEU   3  -8.660  -2.840  -0.779
   16    HA   LEU   3           HA       LEU   3  -8.084  -5.224   0.938
   17   1HB   LEU   3          HB1       LEU   3  -7.523  -4.362  -1.882
   18   2HB   LEU   3          HB2       LEU   3  -6.376  -5.455  -1.108
   19    HG   LEU   3           HG       LEU   3  -8.422  -6.869  -0.456
   20   1HD1  LEU   3          HD21      LEU   3 -10.125  -5.157  -0.948
   21   2HD1  LEU   3          HD22      LEU   3 -10.379  -6.588  -1.947
   22   3HD1  LEU   3          HD23      LEU   3  -9.634  -5.149  -2.643
   23   1HD2  LEU   3          HD11      LEU   3  -8.378  -7.010  -3.374
   24   2HD2  LEU   3          HD12      LEU   3  -7.813  -8.187  -2.188
   25   3HD2  LEU   3          HD13      LEU   3  -6.760  -6.863  -2.688
   26    H    LYS   4           HN       LYS   4  -5.819  -5.513   1.615
   27    HA   LYS   4           HA       LYS   4  -4.390  -2.899   1.950
   28   1HB   LYS   4          HB1       LYS   4  -4.292  -5.428   3.635
   29   2HB   LYS   4          HB2       LYS   4  -3.570  -3.875   4.047
   30   1HG   LYS   4          HG2       LYS   4  -5.724  -2.838   4.276
   31   2HG   LYS   4          HG1       LYS   4  -6.539  -4.232   3.570
   32   1HD   LYS   4          HD2       LYS   4  -5.483  -5.562   5.543
   33   2HD   LYS   4          HD1       LYS   4  -5.250  -3.979   6.282
   34   1HE   LYS   4          HE2       LYS   4  -7.406  -4.074   6.984
   35   2HE   LYS   4          HE1       LYS   4  -7.908  -4.005   5.285
   36   1HZ   LYS   4          HZ1       LYS   4  -7.591  -6.394   5.127
   37   2HZ   LYS   4          HZ2       LYS   4  -8.694  -6.041   6.368
   38   3HZ   LYS   4          HZ3       LYS   4  -7.094  -6.466   6.749
   39    H    TRP   5           HN       TRP   5  -1.983  -3.078   1.938
   40    HA   TRP   5           HA       TRP   5  -1.031  -5.433   0.327
   41   1HB   TRP   5          HB2       TRP   5  -0.278  -2.496   0.064
   42   2HB   TRP   5          HB1       TRP   5   0.326  -3.806  -0.948
   43    HD1  TRP   5           HD1      TRP   5  -3.131  -2.400   0.081
   44    HE1  TRP   5           HE1      TRP   5  -4.671  -2.462  -1.973
   45    HE3  TRP   5           HE3      TRP   5   0.032  -4.540  -3.305
   46    HZ2  TRP   5           HZ2      TRP   5  -4.579  -3.320  -4.708
   47    HZ3  TRP   5           HZ3      TRP   5  -0.721  -4.971  -5.627
   48    HH2  TRP   5           HH2      TRP   5  -3.020  -4.364  -6.331
   49    H    ILE   6           HN       ILE   6   0.805  -6.391   1.140
   50    HA   ILE   6           HA       ILE   6   2.140  -5.042   3.443
   51    HB   ILE   6           HB       ILE   6   1.194  -7.241   3.881
   52   1HG1  ILE   6          HG12      ILE   6   3.160  -8.466   4.623
   53   2HG1  ILE   6          HG11      ILE   6   4.183  -7.565   3.508
   54   1HG2  ILE   6          HG21      ILE   6   2.421  -9.160   2.475
   55   2HG2  ILE   6          HG22      ILE   6   2.511  -7.870   1.279
   56   3HG2  ILE   6          HG23      ILE   6   0.945  -8.389   1.895
   57   1HD1  ILE   6          HD11      ILE   6   4.448  -5.925   5.020
   58   2HD1  ILE   6          HD12      ILE   6   3.520  -6.879   6.175
   59   3HD1  ILE   6          HD13      ILE   6   2.703  -5.714   5.138
   60    H    CYS   7           HN       CYS   7   4.332  -4.627   3.428
   61    HA   CYS   7           HA       CYS   7   5.714  -4.802   0.812
   62   1HB   CYS   7          HB2       CYS   7   5.564  -2.746   2.332
   63   2HB   CYS   7          HB1       CYS   7   6.634  -3.601   3.444
   64    H    ILE   8           HN       ILE   8   6.509  -6.914   0.579
   65    HA   ILE   8           HA       ILE   8   7.397  -8.649   2.612
   66    HB   ILE   8           HB       ILE   8   6.949  -9.284   0.290
   67   1HG1  ILE   8          HG12      ILE   8   9.817  -9.896   0.393
   68   2HG1  ILE   8          HG11      ILE   8   8.934 -10.298   1.862
   69   1HG2  ILE   8          HG21      ILE   8   8.446  -7.033  -0.266
   70   2HG2  ILE   8          HG22      ILE   8   7.889  -8.213  -1.452
   71   3HG2  ILE   8          HG23      ILE   8   9.503  -8.355  -0.757
   72   1HD1  ILE   8          HD11      ILE   8   9.052 -12.088  -0.017
   73   2HD1  ILE   8          HD12      ILE   8   7.880 -11.073  -0.857
   74   3HD1  ILE   8          HD13      ILE   8   7.480 -11.766   0.715
   75    H    THR   9           HN       THR   9   8.947  -5.846   1.287
   76    HA   THR   9           HA       THR   9  11.679  -6.513   1.846
   77    HB   THR   9           HB       THR   9  10.248  -3.831   1.784
   78    HG1  THR   9           HG1      THR   9  11.430  -5.377  -0.279
   79   1HG2  THR   9          HG21      THR   9  13.114  -4.697   1.692
   80   2HG2  THR   9          HG22      THR   9  12.394  -3.291   2.478
   81   3HG2  THR   9          HG23      THR   9  12.626  -3.302   0.730
   82    H    CYS  10           HN       CYS  10   9.138  -4.982   3.829
   83    HA   CYS  10           HA       CYS  10  10.985  -5.246   6.180
   84   1HB   CYS  10          HB1       CYS  10  10.012  -3.079   6.949
   85   2HB   CYS  10          HB2       CYS  10  10.829  -2.920   5.395
   86    H    GLY  11           HN       GLY  11   7.622  -5.225   5.011
   87   1HA   GLY  11          HA2       GLY  11   6.057  -6.883   5.939
   88   2HA   GLY  11          HA1       GLY  11   6.881  -6.717   7.488
   89    H    HIS  12           HN       HIS  12   5.794  -4.141   5.284
   90    HA   HIS  12           HA       HIS  12   4.199  -3.011   7.548
   91   1HB   HIS  12          HB2       HIS  12   6.082  -1.726   6.447
   92   2HB   HIS  12          HB1       HIS  12   5.147  -1.745   4.951
   93    HD1  HIS  12           HD1      HIS  12   4.080   0.485   4.676
   94    HD2  HIS  12           HD2      HIS  12   3.987  -0.766   8.651
   95    HE1  HIS  12           HE1      HIS  12   2.806   2.260   5.956
   96    H    ILE  13           HN       ILE  13   1.995  -3.128   7.384
   97    HA   ILE  13           HA       ILE  13   0.804  -4.029   4.823
   98    HB   ILE  13           HB       ILE  13  -0.186  -3.704   7.677
   99   1HG1  ILE  13          HG11      ILE  13  -0.251  -6.320   6.331
  100   2HG1  ILE  13          HG12      ILE  13   1.370  -5.655   6.518
  101   1HG2  ILE  13          HG21      ILE  13  -2.247  -3.549   6.705
  102   2HG2  ILE  13          HG22      ILE  13  -2.045  -5.281   6.443
  103   3HG2  ILE  13          HG23      ILE  13  -1.664  -4.143   5.150
  104   1HD1  ILE  13          HD11      ILE  13   0.831  -6.962   8.499
  105   2HD1  ILE  13          HD12      ILE  13  -0.681  -6.078   8.712
  106   3HD1  ILE  13          HD13      ILE  13   0.863  -5.256   8.943
  107    H    TYR  14           HN       TYR  14  -0.373  -2.707   3.529
  108    HA   TYR  14           HA       TYR  14  -0.762   0.131   4.347
  109   1HB   TYR  14          HB1       TYR  14   0.358  -0.275   2.225
  110   2HB   TYR  14          HB2       TYR  14  -0.898  -1.406   1.724
  111    HD1  TYR  14           HD1      TYR  14  -0.181   2.169   2.455
  112    HD2  TYR  14           HD2      TYR  14  -2.962  -0.639   0.760
  113    HE1  TYR  14           HE1      TYR  14  -1.474   4.042   1.468
  114    HE2  TYR  14           HE2      TYR  14  -4.249   1.233  -0.225
  115    HH   TYR  14           HH       TYR  14  -4.484   3.883   0.504
  116    H    ASP  15           HN       ASP  15  -2.795   0.878   4.819
  117    HA   ASP  15           HA       ASP  15  -5.088  -1.001   4.471
  118   1HB   ASP  15          HB2       ASP  15  -4.335   0.057   6.704
  119   2HB   ASP  15          HB1       ASP  15  -4.958   1.578   6.062
  120    H    GLU  16           HN       GLU  16  -5.923  -0.602   2.418
  121    HA   GLU  16           HA       GLU  16  -5.901   1.776   0.942
  122   1HB   GLU  16          HB2       GLU  16  -7.594  -0.686   1.131
  123   2HB   GLU  16          HB1       GLU  16  -8.186   0.631   0.121
  124   1HG   GLU  16          HG1       GLU  16  -6.021   0.657  -1.090
  125   2HG   GLU  16          HG2       GLU  16  -5.465  -0.691  -0.099
  126    H    ALA  17           HN       ALA  17  -7.863   0.957   3.717
  127    HA   ALA  17           HA       ALA  17  -9.798   3.132   3.224
  128   1HB   ALA  17          HB1       ALA  17  -9.909   2.008   5.863
  129   2HB   ALA  17          HB2       ALA  17  -9.609   0.700   4.719
  130   3HB   ALA  17          HB3       ALA  17 -11.021   1.738   4.522
  131    H    LEU  18           HN       LEU  18  -6.697   3.341   4.007
  132    HA   LEU  18           HA       LEU  18  -6.898   5.866   5.362
  133   1HB   LEU  18          HB1       LEU  18  -7.471   3.827   7.035
  134   2HB   LEU  18          HB2       LEU  18  -5.714   3.803   7.176
  135    HG   LEU  18           HG       LEU  18  -5.839   6.313   7.601
  136   1HD1  LEU  18          HD21      LEU  18  -8.137   6.988   8.540
  137   2HD1  LEU  18          HD22      LEU  18  -8.768   5.574   7.695
  138   3HD1  LEU  18          HD23      LEU  18  -8.001   6.876   6.786
  139   1HD2  LEU  18          HD11      LEU  18  -5.978   5.941   9.878
  140   2HD2  LEU  18          HD12      LEU  18  -5.829   4.273   9.325
  141   3HD2  LEU  18          HD13      LEU  18  -7.415   4.930   9.732
  142    H    GLY  19           HN       GLY  19  -5.441   5.707   3.286
  143   1HA   GLY  19          HA1       GLY  19  -2.893   4.432   3.403
  144   2HA   GLY  19          HA2       GLY  19  -3.298   5.781   2.347
  145    H    ASP  20           HN       ASP  20  -1.515   7.077   2.640
  146    HA   ASP  20           HA       ASP  20  -0.465   7.597   5.346
  147   1HB   ASP  20          HB2       ASP  20   0.908   7.202   3.260
  148   2HB   ASP  20          HB1       ASP  20   0.297   8.733   2.630
  149    H    GLU  21           HN       GLU  21  -0.102   9.892   6.024
  150    HA   GLU  21           HA       GLU  21  -2.438  11.605   5.270
  151   1HB   GLU  21          HB1       GLU  21  -0.642  11.400   7.713
  152   2HB   GLU  21          HB2       GLU  21  -1.854  12.667   7.515
  153   1HG   GLU  21          HG1       GLU  21  -3.333  10.443   6.944
  154   2HG   GLU  21          HG2       GLU  21  -2.207   9.797   8.138
  155    H    ALA  22           HN       ALA  22   1.080  11.521   5.593
  156    HA   ALA  22           HA       ALA  22   1.544  14.338   5.153
  157   1HB   ALA  22          HB1       ALA  22   3.139  11.776   4.900
  158   2HB   ALA  22          HB2       ALA  22   3.261  13.016   6.150
  159   3HB   ALA  22          HB3       ALA  22   3.858  13.342   4.522
  160    H    GLU  23           HN       GLU  23   1.849  11.512   2.957
  161    HA   GLU  23           HA       GLU  23   2.378  13.001   0.582
  162   1HB   GLU  23          HB1       GLU  23   2.703  10.554   0.926
  163   2HB   GLU  23          HB2       GLU  23   0.953  10.342   0.990
  164   1HG   GLU  23          HG2       GLU  23   1.735   9.812  -1.257
  165   2HG   GLU  23          HG1       GLU  23   0.802  11.307  -1.315
  166    H    GLY  24           HN       GLY  24  -0.612  12.271   2.278
  167   1HA   GLY  24          HA2       GLY  24  -2.584  13.664   1.970
  168   2HA   GLY  24          HA1       GLY  24  -2.056  13.984   0.319
  169    H    PHE  25           HN       PHE  25  -1.971  10.739   1.661
  170    HA   PHE  25           HA       PHE  25  -3.523   9.663  -0.506
  171   1HB   PHE  25          HB2       PHE  25  -2.086   8.791   1.871
  172   2HB   PHE  25          HB1       PHE  25  -3.571   7.863   1.657
  173    HD1  PHE  25           HD1      PHE  25  -0.955   9.347  -0.578
  174    HD2  PHE  25           HD2      PHE  25  -3.316   5.910   0.418
  175    HE1  PHE  25           HE1      PHE  25   0.108   8.082  -2.433
  176    HE2  PHE  25           HE2      PHE  25  -2.261   4.641  -1.432
  177    HZ   PHE  25           HZ       PHE  25  -0.550   5.725  -2.862
  178    H    THR  26           HN       THR  26  -5.469  11.029  -0.396
  179    HA   THR  26           HA       THR  26  -7.218  11.367   1.751
  180    HB   THR  26           HB       THR  26  -7.307  12.346  -0.551
  181    HG1  THR  26           HG1      THR  26  -9.628  11.042   0.419
  182   1HG2  THR  26          HG21      THR  26  -8.376   9.595  -1.226
  183   2HG2  THR  26          HG22      THR  26  -6.912  10.344  -1.859
  184   3HG2  THR  26          HG23      THR  26  -8.493  10.991  -2.297
  185    HA   PRO  27           HA       PRO  27  -8.694   7.377   2.889
  186   1HB   PRO  27          HB2       PRO  27 -11.384   8.641   3.118
  187   2HB   PRO  27          HB1       PRO  27 -10.443   7.774   4.345
  188   1HG   PRO  27          HG2       PRO  27 -10.735  10.442   4.378
  189   2HG   PRO  27          HG1       PRO  27  -9.263   9.642   4.946
  190   1HD   PRO  27          HD1       PRO  27  -9.745  11.162   2.440
  191   2HD   PRO  27          HD2       PRO  27  -8.256  10.987   3.393
  192    H    GLY  28           HN       GLY  28  -8.988   5.884   1.278
  193   1HA   GLY  28          HA2       GLY  28 -10.750   4.764  -0.098
  194   2HA   GLY  28          HA1       GLY  28 -11.204   6.367  -0.674
  195    H    THR  29           HN       THR  29  -7.829   5.596  -0.255
  196    HA   THR  29           HA       THR  29  -7.468   5.804  -3.204
  197    HB   THR  29           HB       THR  29  -5.491   5.857  -0.892
  198    HG1  THR  29           HG1      THR  29  -6.285   7.760  -0.596
  199   1HG2  THR  29          HG21      THR  29  -4.260   5.387  -2.852
  200   2HG2  THR  29          HG22      THR  29  -4.165   7.143  -2.716
  201   3HG2  THR  29          HG23      THR  29  -5.296   6.406  -3.852
  202    H    ARG  30           HN       ARG  30  -7.376   3.870  -4.266
  203    HA   ARG  30           HA       ARG  30  -6.526   1.427  -2.808
  204   1HB   ARG  30          HB2       ARG  30  -8.617   1.632  -4.235
  205   2HB   ARG  30          HB1       ARG  30  -7.564   1.802  -5.640
  206   1HG   ARG  30          HG1       ARG  30  -6.898  -0.403  -5.579
  207   2HG   ARG  30          HG2       ARG  30  -7.053  -0.509  -3.827
  208   1HD   ARG  30          HD1       ARG  30  -8.871  -1.816  -4.612
  209   2HD   ARG  30          HD2       ARG  30  -9.625  -0.242  -4.293
  210    HE   ARG  30           HE       ARG  30  -8.684  -0.028  -6.900
  211   1HH1  ARG  30          HH12      ARG  30 -10.756  -2.246  -5.193
  212   2HH1  ARG  30          HH11      ARG  30 -11.686  -2.630  -6.599
  213   1HH2  ARG  30          HH22      ARG  30  -9.908  -0.544  -8.711
  214   2HH2  ARG  30          HH21      ARG  30 -11.212  -1.676  -8.576
  215    H    PHE  31           HN       PHE  31  -4.673   0.259  -3.374
  216    HA   PHE  31           HA       PHE  31  -2.383   1.499  -4.419
  217   1HB   PHE  31          HB1       PHE  31  -3.090  -0.924  -3.341
  218   2HB   PHE  31          HB2       PHE  31  -2.738  -1.388  -5.006
  219    HD1  PHE  31           HD1      PHE  31  -0.502  -1.194  -5.929
  220    HD2  PHE  31           HD2      PHE  31  -1.346   0.057  -1.908
  221    HE1  PHE  31           HE1      PHE  31   1.929  -1.081  -5.454
  222    HE2  PHE  31           HE2      PHE  31   1.085   0.171  -1.434
  223    HZ   PHE  31           HZ       PHE  31   2.722  -0.399  -3.208
  224    H    GLU  32           HN       GLU  32  -5.071   0.014  -6.142
  225    HA   GLU  32           HA       GLU  32  -3.931  -0.464  -8.680
  226   1HB   GLU  32          HB1       GLU  32  -6.212  -1.059  -8.016
  227   2HB   GLU  32          HB2       GLU  32  -6.644   0.645  -7.877
  228   1HG   GLU  32          HG1       GLU  32  -7.204   0.637 -10.060
  229   2HG   GLU  32          HG2       GLU  32  -5.518   0.301 -10.458
  230    H    ASP  33           HN       ASP  33  -4.946   2.562  -7.160
  231    HA   ASP  33           HA       ASP  33  -4.367   4.127  -9.602
  232   1HB   ASP  33          HB1       ASP  33  -6.209   4.387  -7.687
  233   2HB   ASP  33          HB2       ASP  33  -4.924   5.296  -6.892
  234    H    ILE  34           HN       ILE  34  -2.394   2.682  -7.437
  235    HA   ILE  34           HA       ILE  34  -0.596   5.022  -7.014
  236    HB   ILE  34           HB       ILE  34  -0.779   2.196  -5.920
  237   1HG1  ILE  34          HG12      ILE  34  -1.031   4.941  -4.663
  238   2HG1  ILE  34          HG11      ILE  34  -2.353   3.820  -4.979
  239   1HG2  ILE  34          HG21      ILE  34   1.140   2.769  -4.475
  240   2HG2  ILE  34          HG22      ILE  34   1.327   4.296  -5.336
  241   3HG2  ILE  34          HG23      ILE  34   1.600   2.770  -6.178
  242   1HD1  ILE  34          HD11      ILE  34  -0.788   2.185  -3.544
  243   2HD1  ILE  34          HD12      ILE  34  -1.943   3.273  -2.774
  244   3HD1  ILE  34          HD13      ILE  34  -0.239   3.719  -2.872
  245    HA   PRO  35           HA       PRO  35   1.207   3.211 -10.807
  246   1HB   PRO  35          HB1       PRO  35   2.813   5.454 -11.252
  247   2HB   PRO  35          HB2       PRO  35   1.184   5.226 -11.913
  248   1HG   PRO  35          HG2       PRO  35   2.079   6.807  -9.561
  249   2HG   PRO  35          HG1       PRO  35   0.790   7.144 -10.726
  250   1HD   PRO  35          HD2       PRO  35   0.304   6.236  -8.225
  251   2HD   PRO  35          HD1       PRO  35  -0.735   5.834  -9.609
  252    H    ASP  36           HN       ASP  36   3.545   5.445  -9.334
  253    HA   ASP  36           HA       ASP  36   5.085   3.216  -8.152
  254   1HB   ASP  36          HB1       ASP  36   7.021   3.661  -9.640
  255   2HB   ASP  36          HB2       ASP  36   5.603   3.182 -10.575
  256    H    ASP  37           HN       ASP  37   4.937   6.684  -8.972
  257    HA   ASP  37           HA       ASP  37   7.054   7.773  -7.570
  258   1HB   ASP  37          HB2       ASP  37   4.971   8.754  -8.868
  259   2HB   ASP  37          HB1       ASP  37   4.289   8.918  -7.250
  260    H    TRP  38           HN       TRP  38   4.141   6.338  -6.174
  261    HA   TRP  38           HA       TRP  38   4.623   7.320  -3.475
  262   1HB   TRP  38          HB1       TRP  38   2.400   6.681  -4.317
  263   2HB   TRP  38          HB2       TRP  38   2.967   5.038  -4.616
  264    HD1  TRP  38           HD1      TRP  38   2.174   7.457  -1.752
  265    HE1  TRP  38           HE1      TRP  38   1.826   6.090   0.408
  266    HE3  TRP  38           HE3      TRP  38   3.474   2.813  -3.427
  267    HZ2  TRP  38           HZ2      TRP  38   2.064   3.386   1.304
  268    HZ3  TRP  38           HZ3      TRP  38   3.405   0.862  -1.900
  269    HH2  TRP  38           HH2      TRP  38   2.700   1.144   0.459
  270    H    CYS  39           HN       CYS  39   5.802   6.313  -1.854
  271    HA   CYS  39           HA       CYS  39   7.036   3.657  -2.505
  272   1HB   CYS  39          HB1       CYS  39   8.198   6.171  -1.260
  273   2HB   CYS  39          HB2       CYS  39   9.031   4.617  -1.242
  274    HG   CYS  39           HG       CYS  39   9.745   6.028  -3.390
  275    H    CYS  40           HN       CYS  40   8.159   2.941  -0.207
  276    HA   CYS  40           HA       CYS  40   5.892   2.553   1.607
  277   1HB   CYS  40          HB1       CYS  40   8.091   1.116   0.832
  278   2HB   CYS  40          HB2       CYS  40   8.640   1.740   2.387
  279    HA   PRO  41           HA       PRO  41   6.961   5.999   4.184
  280   1HB   PRO  41          HB2       PRO  41   5.520   5.270   6.420
  281   2HB   PRO  41          HB1       PRO  41   4.786   5.991   4.976
  282   1HG   PRO  41          HG2       PRO  41   4.877   3.149   5.845
  283   2HG   PRO  41          HG1       PRO  41   3.580   4.041   5.039
  284   1HD   PRO  41          HD2       PRO  41   5.259   2.303   3.759
  285   2HD   PRO  41          HD1       PRO  41   4.452   3.667   2.958
  286    H    ASP  42           HN       ASP  42   7.629   2.686   4.958
  287    HA   ASP  42           HA       ASP  42   9.410   3.531   7.214
  288   1HB   ASP  42          HB2       ASP  42   7.494   1.435   6.785
  289   2HB   ASP  42          HB1       ASP  42   9.078   0.696   7.016
  290    H    CYS  43           HN       CYS  43   9.596   2.792   3.952
  291    HA   CYS  43           HA       CYS  43  12.429   1.896   4.274
  292   1HB   CYS  43          HB2       CYS  43  10.348   0.761   2.376
  293   2HB   CYS  43          HB1       CYS  43  12.026   0.236   2.488
  294    H    GLY  44           HN       GLY  44  10.208   2.504   1.532
  295   1HA   GLY  44          HA1       GLY  44  10.327   4.577   0.209
  296   2HA   GLY  44          HA2       GLY  44  12.022   4.714   0.676
  297    H    ALA  45           HN       ALA  45  10.525   1.686  -0.320
  298    HA   ALA  45           HA       ALA  45  12.475   1.520  -2.556
  299   1HB   ALA  45          HB1       ALA  45  10.575  -0.674  -1.844
  300   2HB   ALA  45          HB2       ALA  45  11.754  -0.212  -0.616
  301   3HB   ALA  45          HB3       ALA  45  12.301  -0.761  -2.200
  302    H    THR  46           HN       THR  46  11.224  -0.121  -4.323
  303    HA   THR  46           HA       THR  46   9.249   1.678  -5.577
  304    HB   THR  46           HB       THR  46   9.532  -0.299  -7.330
  305    HG1  THR  46           HG1      THR  46  11.561  -1.315  -6.991
  306   1HG2  THR  46          HG21      THR  46  10.602   2.136  -7.127
  307   2HG2  THR  46          HG22      THR  46  11.162   0.989  -8.343
  308   3HG2  THR  46          HG23      THR  46  12.071   1.202  -6.847
  309    H    LYS  47           HN       LYS  47   7.402   0.357  -6.782
  310    HA   LYS  47           HA       LYS  47   5.626  -0.705  -4.792
  311   1HB   LYS  47          HB2       LYS  47   4.876   0.406  -6.835
  312   2HB   LYS  47          HB1       LYS  47   5.687  -0.800  -7.833
  313   1HG   LYS  47          HG1       LYS  47   3.830  -1.978  -5.891
  314   2HG   LYS  47          HG2       LYS  47   3.039  -0.902  -7.041
  315   1HD   LYS  47          HD1       LYS  47   3.452  -2.280  -8.812
  316   2HD   LYS  47          HD2       LYS  47   5.046  -2.737  -8.211
  317   1HE   LYS  47          HE2       LYS  47   4.113  -4.351  -6.697
  318   2HE   LYS  47          HE1       LYS  47   2.470  -3.732  -6.950
  319   1HZ   LYS  47          HZ1       LYS  47   2.925  -5.703  -8.320
  320   2HZ   LYS  47          HZ2       LYS  47   4.219  -4.891  -9.062
  321   3HZ   LYS  47          HZ3       LYS  47   2.630  -4.332  -9.279
  322    H    GLU  48           HN       GLU  48   8.075  -2.174  -6.797
  323    HA   GLU  48           HA       GLU  48   7.166  -4.855  -6.945
  324   1HB   GLU  48          HB2       GLU  48   9.165  -3.732  -8.041
  325   2HB   GLU  48          HB1       GLU  48  10.003  -3.868  -6.495
  326   1HG   GLU  48          HG2       GLU  48   9.516  -6.361  -6.580
  327   2HG   GLU  48          HG1       GLU  48   8.973  -6.119  -8.241
  328    H    ASP  49           HN       ASP  49   8.239  -3.010  -4.209
  329    HA   ASP  49           HA       ASP  49   8.983  -5.330  -2.570
  330   1HB   ASP  49          HB2       ASP  49   8.504  -2.381  -2.000
  331   2HB   ASP  49          HB1       ASP  49   9.199  -3.519  -0.847
  332    H    TYR  50           HN       TYR  50   6.053  -3.675  -3.375
  333    HA   TYR  50           HA       TYR  50   4.680  -4.593  -0.902
  334   1HB   TYR  50          HB1       TYR  50   4.381  -2.532  -2.997
  335   2HB   TYR  50          HB2       TYR  50   2.860  -3.271  -2.496
  336    HD1  TYR  50           HD1      TYR  50   2.424  -3.467   0.047
  337    HD2  TYR  50           HD2      TYR  50   5.370  -0.862  -1.677
  338    HE1  TYR  50           HE1      TYR  50   2.444  -2.118   2.128
  339    HE2  TYR  50           HE2      TYR  50   5.392   0.490   0.405
  340    HH   TYR  50           HH       TYR  50   3.033   0.334   2.719
  341    H    VAL  51           HN       VAL  51   2.991  -6.074  -0.955
  342    HA   VAL  51           HA       VAL  51   2.139  -7.207  -3.571
  343    HB   VAL  51           HB       VAL  51   2.606  -9.500  -2.667
  344   1HG1  VAL  51          HG11      VAL  51   4.930  -9.458  -3.147
  345   2HG1  VAL  51          HG12      VAL  51   5.115  -7.824  -2.510
  346   3HG1  VAL  51          HG13      VAL  51   4.270  -8.085  -4.036
  347   1HG2  VAL  51          HG21      VAL  51   3.867  -7.912  -0.412
  348   2HG2  VAL  51          HG22      VAL  51   4.093  -9.643  -0.660
  349   3HG2  VAL  51          HG23      VAL  51   2.492  -9.008  -0.286
  350    H    LEU  52           HN       LEU  52   0.189  -8.643  -3.252
  351    HA   LEU  52           HA       LEU  52  -1.735  -7.394  -1.508
  352   1HB   LEU  52          HB2       LEU  52  -2.170  -8.456  -3.715
  353   2HB   LEU  52          HB1       LEU  52  -1.815 -10.027  -3.006
  354    HG   LEU  52           HG       LEU  52  -3.799 -10.084  -1.793
  355   1HD1  LEU  52          HD11      LEU  52  -5.165  -7.873  -1.465
  356   2HD1  LEU  52          HD12      LEU  52  -3.629  -7.072  -1.800
  357   3HD1  LEU  52          HD13      LEU  52  -3.771  -8.166  -0.425
  358   1HD2  LEU  52          HD21      LEU  52  -5.598  -9.152  -3.260
  359   2HD2  LEU  52          HD22      LEU  52  -4.367 -10.047  -4.151
  360   3HD2  LEU  52          HD23      LEU  52  -4.351  -8.283  -4.155
  361    H    TYR  53           HN       TYR  53  -2.152  -7.854   0.610
  362    HA   TYR  53           HA       TYR  53  -0.804 -10.142   1.906
  363   1HB   TYR  53          HB2       TYR  53  -1.060  -7.669   2.704
  364   2HB   TYR  53          HB1       TYR  53  -2.698  -8.141   3.157
  365    HD1  TYR  53           HD1      TYR  53  -2.840  -8.492   5.458
  366    HD2  TYR  53           HD2      TYR  53   0.632  -9.873   3.337
  367    HE1  TYR  53           HE1      TYR  53  -1.965  -9.504   7.546
  368    HE2  TYR  53           HE2      TYR  53   1.507 -10.881   5.425
  369    HH   TYR  53           HH       TYR  53  -0.437 -11.074   8.326
  370    H    GLU  54           HN       GLU  54  -1.901 -11.939   2.724
  371    HA   GLU  54           HA       GLU  54  -4.806 -12.004   2.998
  372   1HB   GLU  54          HB1       GLU  54  -5.090 -13.685   1.151
  373   2HB   GLU  54          HB2       GLU  54  -4.570 -12.108   0.559
  374   1HG   GLU  54          HG1       GLU  54  -2.728 -13.037  -0.340
  375   2HG   GLU  54          HG2       GLU  54  -2.242 -13.634   1.247
  376    H    GLU  55           HN       GLU  55  -4.107 -12.804   5.108
  377    HA   GLU  55           HA       GLU  55  -2.568 -15.304   5.263
  378   1HB   GLU  55          HB2       GLU  55  -3.239 -13.093   6.908
  379   2HB   GLU  55          HB1       GLU  55  -3.949 -14.510   7.683
  380   1HG   GLU  55          HG1       GLU  55  -1.197 -14.872   6.645
  381   2HG   GLU  55          HG2       GLU  55  -1.352 -13.764   8.009
  382    H    LYS  56           HN       LYS  56  -3.581 -17.114   6.674
  383    HA   LYS  56           HA       LYS  56  -6.195 -17.824   5.493
  384   1HB   LYS  56          HB1       LYS  56  -3.905 -19.185   6.029
  385   2HB   LYS  56          HB2       LYS  56  -4.815 -19.545   7.497
  386   1HG   LYS  56          HG2       LYS  56  -5.876 -21.149   6.312
  387   2HG   LYS  56          HG1       LYS  56  -6.679 -19.848   5.433
  388   1HD   LYS  56          HD1       LYS  56  -5.653 -20.626   3.577
  389   2HD   LYS  56          HD2       LYS  56  -4.148 -20.011   4.259
  390   1HE   LYS  56          HE1       LYS  56  -3.441 -22.107   4.926
  391   2HE   LYS  56          HE2       LYS  56  -5.093 -22.677   5.232
  392   1HZ   LYS  56          HZ1       LYS  56  -5.424 -22.427   2.747
  393   2HZ   LYS  56          HZ2       LYS  56  -4.437 -23.718   3.238
  394   3HZ   LYS  56          HZ3       LYS  56  -3.735 -22.300   2.621
  Start of MODEL   12
    1    H    ALA   1           HT1      ALA   1 -14.443  -3.146  -2.296
    2    HA   ALA   1           HA       ALA   1 -14.125  -3.780   0.593
    3   1HB   ALA   1          HB1       ALA   1 -13.064  -5.601  -1.469
    4   2HB   ALA   1          HB2       ALA   1 -14.824  -5.490  -1.472
    5   3HB   ALA   1          HB3       ALA   1 -13.973  -5.980  -0.006
    6    H    TYR   2           HN       TYR   2 -12.468  -2.309   1.025
    7    HA   TYR   2           HA       TYR   2 -10.439  -1.560  -0.897
    8   1HB   TYR   2          HB2       TYR   2 -10.824  -1.320   2.098
    9   2HB   TYR   2          HB1       TYR   2  -9.390  -0.676   1.298
   10    HD1  TYR   2           HD1      TYR   2 -10.230   0.474  -1.149
   11    HD2  TYR   2           HD2      TYR   2 -12.354   0.368   2.582
   12    HE1  TYR   2           HE1      TYR   2 -11.508   2.490  -1.821
   13    HE2  TYR   2           HE2      TYR   2 -13.633   2.384   1.911
   14    HH   TYR   2           HH       TYR   2 -14.180   3.399  -0.786
   15    H    LEU   3           HN       LEU   3  -8.459  -2.493  -1.269
   16    HA   LEU   3           HA       LEU   3  -7.898  -5.123  -0.046
   17   1HB   LEU   3          HB1       LEU   3  -7.177  -3.534  -2.421
   18   2HB   LEU   3          HB2       LEU   3  -5.830  -4.461  -1.761
   19    HG   LEU   3           HG       LEU   3  -7.202  -6.510  -1.823
   20   1HD1  LEU   3          HD21      LEU   3  -9.423  -5.819  -1.525
   21   2HD1  LEU   3          HD22      LEU   3  -9.386  -6.228  -3.239
   22   3HD1  LEU   3          HD23      LEU   3  -9.289  -4.542  -2.733
   23   1HD2  LEU   3          HD11      LEU   3  -6.453  -4.922  -4.161
   24   2HD2  LEU   3          HD12      LEU   3  -7.738  -6.075  -4.518
   25   3HD2  LEU   3          HD13      LEU   3  -6.207  -6.640  -3.850
   26    H    LYS   4           HN       LYS   4  -5.346  -5.397   0.280
   27    HA   LYS   4           HA       LYS   4  -4.239  -3.064   1.769
   28   1HB   LYS   4          HB1       LYS   4  -4.532  -5.891   2.848
   29   2HB   LYS   4          HB2       LYS   4  -3.832  -4.525   3.714
   30   1HG   LYS   4          HG2       LYS   4  -6.016  -3.332   3.524
   31   2HG   LYS   4          HG1       LYS   4  -6.701  -4.765   2.757
   32   1HD   LYS   4          HD1       LYS   4  -6.876  -5.876   4.731
   33   2HD   LYS   4          HD2       LYS   4  -5.290  -5.332   5.277
   34   1HE   LYS   4          HE2       LYS   4  -6.348  -3.047   5.701
   35   2HE   LYS   4          HE1       LYS   4  -7.920  -3.827   5.438
   36   1HZ   LYS   4          HZ1       LYS   4  -7.303  -5.491   7.109
   37   2HZ   LYS   4          HZ2       LYS   4  -7.311  -3.930   7.776
   38   3HZ   LYS   4          HZ3       LYS   4  -5.837  -4.680   7.389
   39    H    TRP   5           HN       TRP   5  -1.945  -3.058   1.808
   40    HA   TRP   5           HA       TRP   5  -0.596  -5.334   0.385
   41   1HB   TRP   5          HB2       TRP   5  -0.017  -2.361   0.128
   42   2HB   TRP   5          HB1       TRP   5   0.745  -3.654  -0.792
   43    HD1  TRP   5           HD1      TRP   5  -2.860  -2.385  -0.170
   44    HE1  TRP   5           HE1      TRP   5  -4.132  -2.489  -2.389
   45    HE3  TRP   5           HE3      TRP   5   0.759  -4.414  -3.140
   46    HZ2  TRP   5           HZ2      TRP   5  -3.690  -3.350  -5.090
   47    HZ3  TRP   5           HZ3      TRP   5   0.305  -4.868  -5.534
   48    HH2  TRP   5           HH2      TRP   5  -1.912  -4.342  -6.511
   49    H    ILE   6           HN       ILE   6   0.975  -6.181   1.699
   50    HA   ILE   6           HA       ILE   6   2.070  -4.446   3.861
   51    HB   ILE   6           HB       ILE   6   0.814  -6.604   4.284
   52   1HG1  ILE   6          HG11      ILE   6   2.278  -5.556   5.964
   53   2HG1  ILE   6          HG12      ILE   6   2.291  -7.312   6.083
   54   1HG2  ILE   6          HG21      ILE   6   3.269  -8.169   3.758
   55   2HG2  ILE   6          HG22      ILE   6   2.374  -7.657   2.326
   56   3HG2  ILE   6          HG23      ILE   6   1.578  -8.629   3.566
   57   1HD1  ILE   6          HD11      ILE   6   4.345  -6.953   4.356
   58   2HD1  ILE   6          HD12      ILE   6   4.552  -7.011   6.104
   59   3HD1  ILE   6          HD13      ILE   6   4.454  -5.455   5.281
   60    H    CYS   7           HN       CYS   7   4.231  -3.935   3.859
   61    HA   CYS   7           HA       CYS   7   5.856  -4.645   1.531
   62   1HB   CYS   7          HB2       CYS   7   5.689  -2.452   2.982
   63   2HB   CYS   7          HB1       CYS   7   6.833  -3.283   4.038
   64    H    ILE   8           HN       ILE   8   6.306  -6.900   1.682
   65    HA   ILE   8           HA       ILE   8   7.007  -8.375   3.974
   66    HB   ILE   8           HB       ILE   8   8.049  -9.896   2.326
   67   1HG1  ILE   8          HG11      ILE   8   7.670  -7.714   0.271
   68   2HG1  ILE   8          HG12      ILE   8   9.203  -7.948   1.109
   69   1HG2  ILE   8          HG21      ILE   8   5.421  -8.835   2.213
   70   2HG2  ILE   8          HG22      ILE   8   5.966 -10.420   1.663
   71   3HG2  ILE   8          HG23      ILE   8   5.953  -9.055   0.546
   72   1HD1  ILE   8          HD11      ILE   8   8.786  -9.167  -1.182
   73   2HD1  ILE   8          HD12      ILE   8   7.852 -10.294  -0.196
   74   3HD1  ILE   8          HD13      ILE   8   9.565 -10.042   0.136
   75    H    THR   9           HN       THR   9   8.857  -5.993   2.229
   76    HA   THR   9           HA       THR   9  11.477  -6.779   3.219
   77    HB   THR   9           HB       THR   9  10.286  -4.251   2.016
   78    HG1  THR   9           HG1      THR   9  10.336  -5.803   0.508
   79   1HG2  THR   9          HG21      THR   9  12.902  -4.006   1.479
   80   2HG2  THR   9          HG22      THR   9  13.030  -4.875   3.008
   81   3HG2  THR   9          HG23      THR   9  12.183  -3.329   2.940
   82    H    CYS  10           HN       CYS  10   8.855  -4.732   4.381
   83    HA   CYS  10           HA       CYS  10  10.563  -3.901   6.693
   84   1HB   CYS  10          HB1       CYS  10   8.339  -2.678   5.127
   85   2HB   CYS  10          HB2       CYS  10   8.601  -2.145   6.782
   86    H    GLY  11           HN       GLY  11   7.172  -4.718   5.873
   87   1HA   GLY  11          HA2       GLY  11   6.049  -6.498   7.202
   88   2HA   GLY  11          HA1       GLY  11   6.925  -5.898   8.609
   89    H    HIS  12           HN       HIS  12   5.724  -3.512   6.413
   90    HA   HIS  12           HA       HIS  12   3.684  -2.715   8.443
   91   1HB   HIS  12          HB1       HIS  12   5.484  -1.400   6.472
   92   2HB   HIS  12          HB2       HIS  12   3.899  -0.653   6.664
   93    HD1  HIS  12           HD1      HIS  12   6.880   0.277   7.782
   94    HD2  HIS  12           HD2      HIS  12   3.628  -1.152   9.964
   95    HE1  HIS  12           HE1      HIS  12   7.188   1.106  10.155
   96    H    ILE  13           HN       ILE  13   1.534  -2.882   7.927
   97    HA   ILE  13           HA       ILE  13   0.823  -3.862   5.218
   98    HB   ILE  13           HB       ILE  13  -0.691  -3.567   7.841
   99   1HG1  ILE  13          HG12      ILE  13   0.203  -6.113   6.485
  100   2HG1  ILE  13          HG11      ILE  13   1.256  -5.249   7.603
  101   1HG2  ILE  13          HG21      ILE  13  -1.770  -5.465   5.922
  102   2HG2  ILE  13          HG22      ILE  13  -1.734  -3.834   5.251
  103   3HG2  ILE  13          HG23      ILE  13  -2.586  -4.147   6.763
  104   1HD1  ILE  13          HD11      ILE  13  -0.300  -7.126   8.543
  105   2HD1  ILE  13          HD12      ILE  13  -1.572  -5.914   8.393
  106   3HD1  ILE  13          HD13      ILE  13  -0.179  -5.605   9.428
  107    H    TYR  14           HN       TYR  14  -0.353  -2.646   3.771
  108    HA   TYR  14           HA       TYR  14  -0.993   0.168   4.522
  109   1HB   TYR  14          HB1       TYR  14   0.406  -0.132   2.564
  110   2HB   TYR  14          HB2       TYR  14  -0.685  -1.349   1.904
  111    HD1  TYR  14           HD1      TYR  14  -2.402  -0.700   0.412
  112    HD2  TYR  14           HD2      TYR  14  -0.584   2.239   2.963
  113    HE1  TYR  14           HE1      TYR  14  -3.679   1.081  -0.736
  114    HE2  TYR  14           HE2      TYR  14  -1.866   4.026   1.810
  115    HH   TYR  14           HH       TYR  14  -4.491   3.575   0.082
  116    H    ASP  15           HN       ASP  15  -3.102   0.810   4.716
  117    HA   ASP  15           HA       ASP  15  -5.236  -1.146   3.940
  118   1HB   ASP  15          HB2       ASP  15  -4.951  -0.497   6.353
  119   2HB   ASP  15          HB1       ASP  15  -5.271   1.178   5.904
  120    H    GLU  16           HN       GLU  16  -6.067  -0.543   1.960
  121    HA   GLU  16           HA       GLU  16  -5.826   1.922   0.659
  122   1HB   GLU  16          HB2       GLU  16  -7.587  -0.468   0.570
  123   2HB   GLU  16          HB1       GLU  16  -8.214   0.962  -0.248
  124   1HG   GLU  16          HG1       GLU  16  -6.955   0.037  -1.962
  125   2HG   GLU  16          HG2       GLU  16  -5.745   1.079  -1.213
  126    H    ALA  17           HN       ALA  17  -7.981   1.047   3.272
  127    HA   ALA  17           HA       ALA  17  -9.624   3.495   2.903
  128   1HB   ALA  17          HB1       ALA  17 -11.152   2.122   3.859
  129   2HB   ALA  17          HB2       ALA  17 -10.164   2.039   5.317
  130   3HB   ALA  17          HB3       ALA  17  -9.916   0.873   4.017
  131    H    LEU  18           HN       LEU  18  -6.636   3.257   3.861
  132    HA   LEU  18           HA       LEU  18  -6.675   5.486   5.677
  133   1HB   LEU  18          HB1       LEU  18  -7.534   3.279   6.919
  134   2HB   LEU  18          HB2       LEU  18  -5.804   2.960   7.047
  135    HG   LEU  18           HG       LEU  18  -6.019   5.642   7.745
  136   1HD1  LEU  18          HD11      LEU  18  -8.396   5.628   7.961
  137   2HD1  LEU  18          HD12      LEU  18  -7.774   5.483   9.605
  138   3HD1  LEU  18          HD13      LEU  18  -8.385   4.058   8.765
  139   1HD2  LEU  18          HD21      LEU  18  -5.823   4.590  10.140
  140   2HD2  LEU  18          HD22      LEU  18  -4.540   4.301   8.966
  141   3HD2  LEU  18          HD23      LEU  18  -5.758   3.060   9.265
  142    H    GLY  19           HN       GLY  19  -5.137   5.598   3.653
  143   1HA   GLY  19          HA1       GLY  19  -2.645   4.097   3.862
  144   2HA   GLY  19          HA2       GLY  19  -2.991   5.371   2.697
  145    H    ASP  20           HN       ASP  20  -1.269   6.733   2.959
  146    HA   ASP  20           HA       ASP  20  -0.122   7.337   5.574
  147   1HB   ASP  20          HB2       ASP  20   1.088   7.187   3.369
  148   2HB   ASP  20          HB1       ASP  20   0.245   8.648   2.854
  149    H    GLU  21           HN       GLU  21  -0.053   9.528   6.481
  150    HA   GLU  21           HA       GLU  21  -2.574  11.045   5.955
  151   1HB   GLU  21          HB1       GLU  21  -0.672  10.687   8.275
  152   2HB   GLU  21          HB2       GLU  21  -1.802  12.040   8.251
  153   1HG   GLU  21          HG1       GLU  21  -2.713   9.195   7.790
  154   2HG   GLU  21          HG2       GLU  21  -2.601   9.884   9.410
  155    H    ALA  22           HN       ALA  22   0.947  11.357   6.132
  156    HA   ALA  22           HA       ALA  22   0.932  14.256   5.721
  157   1HB   ALA  22          HB1       ALA  22   2.804  13.484   6.886
  158   2HB   ALA  22          HB2       ALA  22   3.458  13.537   5.249
  159   3HB   ALA  22          HB3       ALA  22   2.910  12.005   5.931
  160    H    GLU  23           HN       GLU  23   1.693  11.386   3.717
  161    HA   GLU  23           HA       GLU  23   2.405  12.745   1.324
  162   1HB   GLU  23          HB1       GLU  23   2.670  10.308   1.838
  163   2HB   GLU  23          HB2       GLU  23   0.922  10.114   1.709
  164   1HG   GLU  23          HG1       GLU  23   1.063   9.960  -0.533
  165   2HG   GLU  23          HG2       GLU  23   1.922  11.499  -0.618
  166    H    GLY  24           HN       GLY  24  -0.758  11.868   2.658
  167   1HA   GLY  24          HA2       GLY  24  -2.674  13.347   2.147
  168   2HA   GLY  24          HA1       GLY  24  -2.014  13.535   0.522
  169    H    PHE  25           HN       PHE  25  -1.867  10.366   1.925
  170    HA   PHE  25           HA       PHE  25  -3.441   9.214  -0.195
  171   1HB   PHE  25          HB2       PHE  25  -1.871   8.424   2.139
  172   2HB   PHE  25          HB1       PHE  25  -3.290   7.397   1.937
  173    HD1  PHE  25           HD1      PHE  25  -0.926   9.115  -0.417
  174    HD2  PHE  25           HD2      PHE  25  -2.798   5.445   0.777
  175    HE1  PHE  25           HE1      PHE  25   0.194   7.933  -2.292
  176    HE2  PHE  25           HE2      PHE  25  -1.682   4.261  -1.095
  177    HZ   PHE  25           HZ       PHE  25  -0.189   5.502  -2.633
  178    H    THR  26           HN       THR  26  -5.394  10.621   0.115
  179    HA   THR  26           HA       THR  26  -7.067  10.688   2.360
  180    HB   THR  26           HB       THR  26  -7.239  11.946   0.202
  181    HG1  THR  26           HG1      THR  26  -9.625  10.530   0.751
  182   1HG2  THR  26          HG21      THR  26  -6.924   9.768  -1.142
  183   2HG2  THR  26          HG22      THR  26  -8.084  10.943  -1.762
  184   3HG2  THR  26          HG23      THR  26  -8.650   9.518  -0.890
  185    HA   PRO  27           HA       PRO  27  -8.583   6.610   2.988
  186   1HB   PRO  27          HB1       PRO  27 -11.298   7.766   3.339
  187   2HB   PRO  27          HB2       PRO  27 -10.318   6.838   4.487
  188   1HG   PRO  27          HG1       PRO  27 -10.726   9.484   4.740
  189   2HG   PRO  27          HG2       PRO  27  -9.231   8.694   5.259
  190   1HD   PRO  27          HD1       PRO  27  -9.748  10.386   2.869
  191   2HD   PRO  27          HD2       PRO  27  -8.271  10.214   3.840
  192    H    GLY  28           HN       GLY  28  -8.844   5.308   1.215
  193   1HA   GLY  28          HA2       GLY  28 -10.744   4.412  -0.249
  194   2HA   GLY  28          HA1       GLY  28 -10.919   6.080  -0.796
  195    H    THR  29           HN       THR  29  -7.894   6.374  -0.628
  196    HA   THR  29           HA       THR  29  -7.219   5.989  -3.332
  197    HB   THR  29           HB       THR  29  -5.307   5.756  -0.990
  198    HG1  THR  29           HG1      THR  29  -5.623   7.818  -0.557
  199   1HG2  THR  29          HG21      THR  29  -4.971   7.365  -3.516
  200   2HG2  THR  29          HG22      THR  29  -4.613   5.639  -3.497
  201   3HG2  THR  29          HG23      THR  29  -3.727   6.735  -2.437
  202    H    ARG  30           HN       ARG  30  -6.652   4.201  -4.510
  203    HA   ARG  30           HA       ARG  30  -6.189   1.642  -3.015
  204   1HB   ARG  30          HB2       ARG  30  -7.702   2.460  -5.454
  205   2HB   ARG  30          HB1       ARG  30  -6.936   0.872  -5.495
  206   1HG   ARG  30          HG1       ARG  30  -8.235   0.053  -3.748
  207   2HG   ARG  30          HG2       ARG  30  -8.511   1.656  -3.067
  208   1HD   ARG  30          HD2       ARG  30 -10.600   1.089  -4.055
  209   2HD   ARG  30          HD1       ARG  30  -9.828   2.111  -5.282
  210    HE   ARG  30           HE       ARG  30  -8.912  -0.455  -5.846
  211   1HH1  ARG  30          HH22      ARG  30 -12.032   1.048  -5.496
  212   2HH1  ARG  30          HH21      ARG  30 -12.799  -0.030  -6.608
  213   1HH2  ARG  30          HH12      ARG  30  -9.932  -1.843  -7.288
  214   2HH2  ARG  30          HH11      ARG  30 -11.622  -1.656  -7.616
  215    H    PHE  31           HN       PHE  31  -4.426   0.336  -3.686
  216    HA   PHE  31           HA       PHE  31  -2.066   1.509  -4.655
  217   1HB   PHE  31          HB1       PHE  31  -3.094  -1.054  -3.950
  218   2HB   PHE  31          HB2       PHE  31  -2.297  -1.242  -5.512
  219    HD1  PHE  31           HD1      PHE  31  -1.624   0.829  -2.445
  220    HD2  PHE  31           HD2      PHE  31  -0.120  -2.020  -5.286
  221    HE1  PHE  31           HE1      PHE  31   0.587   0.875  -1.322
  222    HE2  PHE  31           HE2      PHE  31   2.089  -1.973  -4.163
  223    HZ   PHE  31           HZ       PHE  31   2.443  -0.528  -2.182
  224    H    GLU  32           HN       GLU  32  -4.753   0.083  -6.484
  225    HA   GLU  32           HA       GLU  32  -3.609  -0.170  -9.043
  226   1HB   GLU  32          HB1       GLU  32  -5.866  -0.880  -8.389
  227   2HB   GLU  32          HB2       GLU  32  -6.358   0.800  -8.188
  228   1HG   GLU  32          HG1       GLU  32  -7.129   0.358 -10.345
  229   2HG   GLU  32          HG2       GLU  32  -5.532   1.023 -10.685
  230    H    ASP  33           HN       ASP  33  -5.236   2.700  -7.647
  231    HA   ASP  33           HA       ASP  33  -4.595   4.436  -9.868
  232   1HB   ASP  33          HB1       ASP  33  -6.358   4.512  -7.881
  233   2HB   ASP  33          HB2       ASP  33  -5.069   5.390  -7.056
  234    H    ILE  34           HN       ILE  34  -2.643   3.121  -7.405
  235    HA   ILE  34           HA       ILE  34  -0.776   5.447  -7.408
  236    HB   ILE  34           HB       ILE  34  -1.064   2.919  -5.743
  237   1HG1  ILE  34          HG12      ILE  34  -1.237   5.725  -4.701
  238   2HG1  ILE  34          HG11      ILE  34  -2.618   5.058  -5.573
  239   1HG2  ILE  34          HG21      ILE  34   1.132   4.900  -5.969
  240   2HG2  ILE  34          HG22      ILE  34   1.179   3.225  -5.420
  241   3HG2  ILE  34          HG23      ILE  34   0.632   4.495  -4.327
  242   1HD1  ILE  34          HD11      ILE  34  -2.695   4.688  -3.076
  243   2HD1  ILE  34          HD12      ILE  34  -1.270   3.662  -3.245
  244   3HD1  ILE  34          HD13      ILE  34  -2.783   3.206  -4.029
  245    HA   PRO  35           HA       PRO  35   1.179   2.662 -10.470
  246   1HB   PRO  35          HB2       PRO  35   2.651   4.680 -11.665
  247   2HB   PRO  35          HB1       PRO  35   0.996   4.248 -12.134
  248   1HG   PRO  35          HG2       PRO  35   1.962   6.476 -10.410
  249   2HG   PRO  35          HG1       PRO  35   0.646   6.453 -11.592
  250   1HD   PRO  35          HD1       PRO  35   0.238   6.321  -8.909
  251   2HD   PRO  35          HD2       PRO  35  -0.852   5.573 -10.094
  252    H    ASP  36           HN       ASP  36   3.540   5.261 -10.046
  253    HA   ASP  36           HA       ASP  36   5.136   3.441  -8.275
  254   1HB   ASP  36          HB2       ASP  36   5.524   4.084 -10.986
  255   2HB   ASP  36          HB1       ASP  36   6.716   5.049 -10.116
  256    H    ASP  37           HN       ASP  37   4.109   6.702  -8.975
  257    HA   ASP  37           HA       ASP  37   6.072   8.325  -7.851
  258   1HB   ASP  37          HB2       ASP  37   3.446   8.528  -8.692
  259   2HB   ASP  37          HB1       ASP  37   3.315   8.917  -6.977
  260    H    TRP  38           HN       TRP  38   3.355   6.846  -6.023
  261    HA   TRP  38           HA       TRP  38   4.399   7.611  -3.440
  262   1HB   TRP  38          HB1       TRP  38   2.043   7.197  -3.795
  263   2HB   TRP  38          HB2       TRP  38   2.368   5.592  -4.444
  264    HD1  TRP  38           HD1      TRP  38   2.058   7.505  -1.186
  265    HE1  TRP  38           HE1      TRP  38   2.065   5.835   0.777
  266    HE3  TRP  38           HE3      TRP  38   3.267   3.221  -3.681
  267    HZ2  TRP  38           HZ2      TRP  38   2.526   3.046   1.229
  268    HZ3  TRP  38           HZ3      TRP  38   3.485   1.076  -2.465
  269    HH2  TRP  38           HH2      TRP  38   3.116   0.981  -0.015
  270    H    CYS  39           HN       CYS  39   5.221   6.077  -1.803
  271    HA   CYS  39           HA       CYS  39   6.193   3.444  -2.669
  272   1HB   CYS  39          HB2       CYS  39   7.791   5.923  -2.725
  273   2HB   CYS  39          HB1       CYS  39   8.560   4.612  -1.839
  274    HG   CYS  39           HG       CYS  39   7.662   4.359  -4.827
  275    H    CYS  40           HN       CYS  40   7.703   2.582  -0.806
  276    HA   CYS  40           HA       CYS  40   6.328   2.449   1.644
  277   1HB   CYS  40          HB1       CYS  40   8.663   1.469   0.448
  278   2HB   CYS  40          HB2       CYS  40   9.248   2.323   1.873
  279    HA   PRO  41           HA       PRO  41   7.055   6.350   3.569
  280   1HB   PRO  41          HB2       PRO  41   7.279   5.504   6.220
  281   2HB   PRO  41          HB1       PRO  41   5.748   5.806   5.380
  282   1HG   PRO  41          HG2       PRO  41   7.133   3.242   5.943
  283   2HG   PRO  41          HG1       PRO  41   5.403   3.602   5.885
  284   1HD   PRO  41          HD1       PRO  41   6.716   2.298   3.902
  285   2HD   PRO  41          HD2       PRO  41   5.291   3.315   3.611
  286    H    ASP  42           HN       ASP  42   9.202   3.634   4.225
  287    HA   ASP  42           HA       ASP  42  11.506   5.502   4.284
  288   1HB   ASP  42          HB1       ASP  42  10.284   4.676   6.618
  289   2HB   ASP  42          HB2       ASP  42  11.549   3.463   6.423
  290    H    CYS  43           HN       CYS  43  11.105   3.898   2.175
  291    HA   CYS  43           HA       CYS  43  13.220   1.832   2.448
  292   1HB   CYS  43          HB1       CYS  43  10.542   1.239   2.769
  293   2HB   CYS  43          HB2       CYS  43  10.779   0.925   1.051
  294    H    GLY  44           HN       GLY  44  10.771   3.302   0.297
  295   1HA   GLY  44          HA1       GLY  44  10.964   4.099  -1.902
  296   2HA   GLY  44          HA2       GLY  44  12.707   4.149  -1.642
  297    H    ALA  45           HN       ALA  45  10.524   1.332  -1.508
  298    HA   ALA  45           HA       ALA  45  12.182   0.116  -3.685
  299   1HB   ALA  45          HB1       ALA  45  12.163  -1.824  -2.432
  300   2HB   ALA  45          HB2       ALA  45  10.521  -1.537  -1.856
  301   3HB   ALA  45          HB3       ALA  45  11.877  -0.688  -1.112
  302    H    THR  46           HN       THR  46   9.819   1.752  -4.046
  303    HA   THR  46           HA       THR  46   7.710   1.727  -5.156
  304    HB   THR  46           HB       THR  46   7.885   0.434  -7.211
  305    HG1  THR  46           HG1      THR  46  10.139  -0.899  -6.193
  306   1HG2  THR  46          HG21      THR  46  10.750   0.842  -7.010
  307   2HG2  THR  46          HG22      THR  46   9.870   2.180  -6.272
  308   3HG2  THR  46          HG23      THR  46   9.561   1.741  -7.952
  309    H    LYS  47           HN       LYS  47   6.480  -0.580  -6.357
  310    HA   LYS  47           HA       LYS  47   5.085  -1.668  -4.020
  311   1HB   LYS  47          HB2       LYS  47   3.878  -1.020  -6.039
  312   2HB   LYS  47          HB1       LYS  47   4.892  -2.068  -7.030
  313   1HG   LYS  47          HG2       LYS  47   3.603  -3.473  -4.795
  314   2HG   LYS  47          HG1       LYS  47   2.455  -2.780  -5.941
  315   1HD   LYS  47          HD2       LYS  47   4.386  -3.865  -7.598
  316   2HD   LYS  47          HD1       LYS  47   4.304  -5.036  -6.282
  317   1HE   LYS  47          HE2       LYS  47   2.259  -5.772  -6.955
  318   2HE   LYS  47          HE1       LYS  47   1.650  -4.117  -7.142
  319   1HZ   LYS  47          HZ1       LYS  47   2.966  -3.939  -9.191
  320   2HZ   LYS  47          HZ2       LYS  47   1.816  -5.185  -9.299
  321   3HZ   LYS  47          HZ3       LYS  47   3.451  -5.558  -9.025
  322    H    GLU  48           HN       GLU  48   7.813  -2.602  -5.910
  323    HA   GLU  48           HA       GLU  48   7.698  -5.380  -6.105
  324   1HB   GLU  48          HB2       GLU  48   9.582  -3.340  -6.302
  325   2HB   GLU  48          HB1       GLU  48  10.237  -4.371  -5.030
  326   1HG   GLU  48          HG1       GLU  48   9.182  -5.950  -7.235
  327   2HG   GLU  48          HG2       GLU  48  10.418  -4.819  -7.788
  328    H    ASP  49           HN       ASP  49   8.762  -3.516  -3.232
  329    HA   ASP  49           HA       ASP  49   9.051  -5.909  -1.590
  330   1HB   ASP  49          HB2       ASP  49   9.007  -2.914  -1.097
  331   2HB   ASP  49          HB1       ASP  49   9.294  -4.083   0.193
  332    H    TYR  50           HN       TYR  50   6.397  -3.873  -2.484
  333    HA   TYR  50           HA       TYR  50   4.794  -4.602  -0.099
  334   1HB   TYR  50          HB1       TYR  50   4.784  -2.638  -2.305
  335   2HB   TYR  50          HB2       TYR  50   3.183  -3.237  -1.873
  336    HD1  TYR  50           HD1      TYR  50   2.642  -3.335   0.681
  337    HD2  TYR  50           HD2      TYR  50   5.738  -0.915  -1.044
  338    HE1  TYR  50           HE1      TYR  50   2.628  -1.890   2.696
  339    HE2  TYR  50           HE2      TYR  50   5.729   0.536   0.969
  340    HH   TYR  50           HH       TYR  50   3.960   1.118   2.807
  341    H    VAL  51           HN       VAL  51   3.232  -6.188  -0.142
  342    HA   VAL  51           HA       VAL  51   2.512  -7.360  -2.805
  343    HB   VAL  51           HB       VAL  51   3.278  -8.721  -0.193
  344   1HG1  VAL  51          HG21      VAL  51   2.352 -10.005  -2.782
  345   2HG1  VAL  51          HG22      VAL  51   1.350  -9.845  -1.340
  346   3HG1  VAL  51          HG23      VAL  51   2.805 -10.841  -1.296
  347   1HG2  VAL  51          HG11      VAL  51   5.183  -7.993  -1.525
  348   2HG2  VAL  51          HG12      VAL  51   4.483  -8.712  -2.975
  349   3HG2  VAL  51          HG13      VAL  51   5.030  -9.745  -1.655
  350    H    LEU  52           HN       LEU  52   0.362  -8.181  -2.921
  351    HA   LEU  52           HA       LEU  52  -1.621  -6.810  -1.388
  352   1HB   LEU  52          HB2       LEU  52  -1.588  -8.001  -3.738
  353   2HB   LEU  52          HB1       LEU  52  -2.076  -9.422  -2.822
  354    HG   LEU  52           HG       LEU  52  -4.045  -8.201  -3.670
  355   1HD1  LEU  52          HD11      LEU  52  -5.263  -8.203  -1.637
  356   2HD1  LEU  52          HD12      LEU  52  -3.855  -7.706  -0.701
  357   3HD1  LEU  52          HD13      LEU  52  -3.943  -9.338  -1.360
  358   1HD2  LEU  52          HD21      LEU  52  -4.163  -5.948  -3.626
  359   2HD2  LEU  52          HD22      LEU  52  -2.499  -5.943  -3.041
  360   3HD2  LEU  52          HD23      LEU  52  -3.839  -5.910  -1.894
  361    H    TYR  53           HN       TYR  53  -2.341  -7.268   0.646
  362    HA   TYR  53           HA       TYR  53  -1.430  -9.588   2.124
  363   1HB   TYR  53          HB2       TYR  53  -2.116  -7.171   2.854
  364   2HB   TYR  53          HB1       TYR  53  -3.761  -7.807   2.846
  365    HD1  TYR  53           HD1      TYR  53  -4.518  -9.346   4.531
  366    HD2  TYR  53           HD2      TYR  53  -0.391  -8.173   4.351
  367    HE1  TYR  53           HE1      TYR  53  -4.128 -10.376   6.754
  368    HE2  TYR  53           HE2      TYR  53   0.000  -9.200   6.573
  369    HH   TYR  53           HH       TYR  53  -1.270  -9.827   8.554
  370    H    GLU  54           HN       GLU  54  -2.214 -11.531   1.237
  371    HA   GLU  54           HA       GLU  54  -5.160 -11.941   1.462
  372   1HB   GLU  54          HB1       GLU  54  -3.948 -11.412  -0.923
  373   2HB   GLU  54          HB2       GLU  54  -3.783 -13.167  -0.872
  374   1HG   GLU  54          HG2       GLU  54  -6.348 -12.980  -0.103
  375   2HG   GLU  54          HG1       GLU  54  -6.247 -11.494  -1.048
  376    H    GLU  55           HN       GLU  55  -5.044 -13.440   3.137
  377    HA   GLU  55           HA       GLU  55  -2.987 -15.525   3.209
  378   1HB   GLU  55          HB1       GLU  55  -4.242 -16.165   5.258
  379   2HB   GLU  55          HB2       GLU  55  -3.938 -14.428   5.222
  380   1HG   GLU  55          HG1       GLU  55  -6.146 -13.959   5.159
  381   2HG   GLU  55          HG2       GLU  55  -6.420 -15.116   3.856
  382    H    LYS  56           HN       LYS  56  -4.184 -17.825   3.868
  383    HA   LYS  56           HA       LYS  56  -6.510 -18.522   2.286
  384   1HB   LYS  56          HB2       LYS  56  -4.628 -18.044   0.610
  385   2HB   LYS  56          HB1       LYS  56  -3.822 -19.475   1.252
  386   1HG   LYS  56          HG1       LYS  56  -5.950 -20.765   0.752
  387   2HG   LYS  56          HG2       LYS  56  -6.523 -19.338  -0.113
  388   1HD   LYS  56          HD1       LYS  56  -4.007 -19.647  -1.166
  389   2HD   LYS  56          HD2       LYS  56  -4.485 -21.323  -0.897
  390   1HE   LYS  56          HE2       LYS  56  -6.784 -20.290  -1.981
  391   2HE   LYS  56          HE1       LYS  56  -5.540 -19.363  -2.841
  392   1HZ   LYS  56          HZ1       LYS  56  -6.071 -21.596  -3.830
  393   2HZ   LYS  56          HZ2       LYS  56  -5.403 -22.304  -2.439
  394   3HZ   LYS  56          HZ3       LYS  56  -4.432 -21.354  -3.456
  Start of MODEL   13
    1    H    ALA   1           HT1      ALA   1 -16.006  -4.220   0.160
    2    HA   ALA   1           HA       ALA   1 -14.351  -3.514   1.833
    3   1HB   ALA   1          HB1       ALA   1 -13.847  -5.752   2.140
    4   2HB   ALA   1          HB2       ALA   1 -13.284  -5.955   0.480
    5   3HB   ALA   1          HB3       ALA   1 -15.013  -5.936   0.830
    6    H    TYR   2           HN       TYR   2 -12.491  -2.336   2.014
    7    HA   TYR   2           HA       TYR   2 -10.762  -1.865  -0.292
    8   1HB   TYR   2          HB2       TYR   2 -10.742  -1.096   2.644
    9   2HB   TYR   2          HB1       TYR   2  -9.516  -0.534   1.507
   10    HD1  TYR   2           HD1      TYR   2 -10.543   0.409  -0.792
   11    HD2  TYR   2           HD2      TYR   2 -12.594   0.270   2.979
   12    HE1  TYR   2           HE1      TYR   2 -12.075   2.204  -1.559
   13    HE2  TYR   2           HE2      TYR   2 -14.126   2.063   2.213
   14    HH   TYR   2           HH       TYR   2 -14.371   3.716   0.625
   15    H    LEU   3           HN       LEU   3  -8.749  -2.752  -0.671
   16    HA   LEU   3           HA       LEU   3  -7.994  -5.126   0.928
   17   1HB   LEU   3          HB1       LEU   3  -7.339  -3.890  -1.729
   18   2HB   LEU   3          HB2       LEU   3  -6.176  -5.017  -1.030
   19    HG   LEU   3           HG       LEU   3  -8.109  -6.636  -0.709
   20   1HD1  LEU   3          HD21      LEU   3  -9.456  -4.407  -2.201
   21   2HD1  LEU   3          HD22      LEU   3 -10.070  -5.388  -0.869
   22   3HD1  LEU   3          HD23      LEU   3  -9.970  -6.069  -2.493
   23   1HD2  LEU   3          HD11      LEU   3  -7.939  -6.065  -3.628
   24   2HD2  LEU   3          HD12      LEU   3  -7.668  -7.577  -2.760
   25   3HD2  LEU   3          HD13      LEU   3  -6.416  -6.333  -2.778
   26    H    LYS   4           HN       LYS   4  -5.545  -5.366   1.333
   27    HA   LYS   4           HA       LYS   4  -4.277  -2.751   2.033
   28   1HB   LYS   4          HB1       LYS   4  -4.462  -5.221   3.792
   29   2HB   LYS   4          HB2       LYS   4  -3.706  -3.692   4.234
   30   1HG   LYS   4          HG2       LYS   4  -5.869  -2.543   4.028
   31   2HG   LYS   4          HG1       LYS   4  -6.637  -4.052   3.534
   32   1HD   LYS   4          HD2       LYS   4  -6.295  -5.044   5.674
   33   2HD   LYS   4          HD1       LYS   4  -5.160  -3.783   6.159
   34   1HE   LYS   4          HE2       LYS   4  -6.951  -2.769   7.140
   35   2HE   LYS   4          HE1       LYS   4  -7.487  -2.375   5.496
   36   1HZ   LYS   4          HZ1       LYS   4  -9.219  -3.625   6.524
   37   2HZ   LYS   4          HZ2       LYS   4  -8.134  -4.807   7.080
   38   3HZ   LYS   4          HZ3       LYS   4  -8.457  -4.663   5.418
   39    H    TRP   5           HN       TRP   5  -1.911  -2.937   2.243
   40    HA   TRP   5           HA       TRP   5  -0.809  -5.375   0.863
   41   1HB   TRP   5          HB2       TRP   5  -0.049  -2.445   0.544
   42   2HB   TRP   5          HB1       TRP   5   0.694  -3.791  -0.319
   43    HD1  TRP   5           HD1      TRP   5  -2.894  -2.424   0.213
   44    HE1  TRP   5           HE1      TRP   5  -4.163  -2.621  -2.008
   45    HE3  TRP   5           HE3      TRP   5   0.710  -4.629  -2.648
   46    HZ2  TRP   5           HZ2      TRP   5  -3.715  -3.602  -4.666
   47    HZ3  TRP   5           HZ3      TRP   5   0.262  -5.187  -5.021
   48    HH2  TRP   5           HH2      TRP   5  -1.943  -4.678  -6.032
   49    H    ILE   6           HN       ILE   6   1.014  -6.248   1.838
   50    HA   ILE   6           HA       ILE   6   2.078  -4.782   4.214
   51    HB   ILE   6           HB       ILE   6   1.130  -6.968   4.685
   52   1HG1  ILE   6          HG12      ILE   6   3.042  -8.111   5.660
   53   2HG1  ILE   6          HG11      ILE   6   4.144  -7.251   4.590
   54   1HG2  ILE   6          HG21      ILE   6   2.877  -7.843   2.382
   55   2HG2  ILE   6          HG22      ILE   6   1.134  -8.042   2.561
   56   3HG2  ILE   6          HG23      ILE   6   2.237  -8.993   3.553
   57   1HD1  ILE   6          HD11      ILE   6   2.478  -5.363   5.995
   58   2HD1  ILE   6          HD12      ILE   6   4.234  -5.505   6.003
   59   3HD1  ILE   6          HD13      ILE   6   3.266  -6.437   7.147
   60    H    CYS   7           HN       CYS   7   4.221  -4.226   4.307
   61    HA   CYS   7           HA       CYS   7   5.810  -4.408   1.841
   62   1HB   CYS   7          HB2       CYS   7   5.543  -2.457   3.542
   63   2HB   CYS   7          HB1       CYS   7   6.665  -3.369   4.553
   64    H    ILE   8           HN       ILE   8   6.432  -6.628   1.636
   65    HA   ILE   8           HA       ILE   8   7.361  -8.321   3.693
   66    HB   ILE   8           HB       ILE   8   6.792  -9.007   1.401
   67   1HG1  ILE   8          HG12      ILE   8   9.636  -9.745   1.481
   68   2HG1  ILE   8          HG11      ILE   8   8.744 -10.069   2.964
   69   1HG2  ILE   8          HG21      ILE   8   9.259  -8.377   0.111
   70   2HG2  ILE   8          HG22      ILE   8   8.573  -6.897   0.777
   71   3HG2  ILE   8          HG23      ILE   8   7.629  -7.880  -0.339
   72   1HD1  ILE   8          HD11      ILE   8   7.019 -11.263   1.616
   73   2HD1  ILE   8          HD12      ILE   8   8.609 -12.014   1.480
   74   3HD1  ILE   8          HD13      ILE   8   7.997 -10.998   0.174
   75    H    THR   9           HN       THR   9   8.882  -5.580   2.225
   76    HA   THR   9           HA       THR   9  11.626  -6.286   2.911
   77    HB   THR   9           HB       THR   9  10.167  -3.734   2.132
   78    HG1  THR   9           HG1      THR   9  11.793  -5.588   0.736
   79   1HG2  THR   9          HG21      THR   9  12.846  -4.109   3.152
   80   2HG2  THR   9          HG22      THR   9  12.033  -2.611   2.695
   81   3HG2  THR   9          HG23      THR   9  12.906  -3.548   1.481
   82    H    CYS  10           HN       CYS  10   8.938  -4.659   4.489
   83    HA   CYS  10           HA       CYS  10  10.708  -4.106   6.843
   84   1HB   CYS  10          HB2       CYS  10   8.284  -2.621   5.848
   85   2HB   CYS  10          HB1       CYS  10   9.262  -2.156   7.233
   86    H    GLY  11           HN       GLY  11   7.252  -4.559   5.990
   87   1HA   GLY  11          HA2       GLY  11   6.121  -6.544   7.036
   88   2HA   GLY  11          HA1       GLY  11   6.980  -6.136   8.520
   89    H    HIS  12           HN       HIS  12   5.632  -3.622   6.484
   90    HA   HIS  12           HA       HIS  12   3.629  -3.053   8.639
   91   1HB   HIS  12          HB1       HIS  12   5.649  -1.520   7.603
   92   2HB   HIS  12          HB2       HIS  12   4.299  -1.019   6.585
   93    HD1  HIS  12           HD1      HIS  12   5.785  -0.425   9.844
   94    HD2  HIS  12           HD2      HIS  12   1.937  -0.205   8.256
   95    HE1  HIS  12           HE1      HIS  12   4.424   0.977  11.456
   96    H    ILE  13           HN       ILE  13   1.471  -2.744   8.060
   97    HA   ILE  13           HA       ILE  13   0.727  -3.688   5.337
   98    HB   ILE  13           HB       ILE  13  -0.754  -3.321   7.966
   99   1HG1  ILE  13          HG11      ILE  13  -0.577  -5.950   6.637
  100   2HG1  ILE  13          HG12      ILE  13   0.969  -5.299   7.174
  101   1HG2  ILE  13          HG21      ILE  13  -2.284  -4.940   6.277
  102   2HG2  ILE  13          HG22      ILE  13  -1.771  -3.604   5.246
  103   3HG2  ILE  13          HG23      ILE  13  -2.653  -3.279   6.739
  104   1HD1  ILE  13          HD11      ILE  13  -0.201  -6.684   8.917
  105   2HD1  ILE  13          HD12      ILE  13  -1.495  -5.486   8.929
  106   3HD1  ILE  13          HD13      ILE  13   0.132  -5.032   9.437
  107    H    TYR  14           HN       TYR  14  -0.561  -2.491   3.966
  108    HA   TYR  14           HA       TYR  14  -0.849   0.421   4.583
  109   1HB   TYR  14          HB1       TYR  14   0.486  -0.057   2.628
  110   2HB   TYR  14          HB2       TYR  14  -0.671  -1.255   2.053
  111    HD1  TYR  14           HD1      TYR  14  -0.276   2.389   2.773
  112    HD2  TYR  14           HD2      TYR  14  -2.452  -0.626   0.614
  113    HE1  TYR  14           HE1      TYR  14  -1.459   4.156   1.493
  114    HE2  TYR  14           HE2      TYR  14  -3.629   1.140  -0.663
  115    HH   TYR  14           HH       TYR  14  -4.188   3.461  -0.499
  116    H    ASP  15           HN       ASP  15  -2.901   1.255   4.744
  117    HA   ASP  15           HA       ASP  15  -5.191  -0.601   4.293
  118   1HB   ASP  15          HB2       ASP  15  -4.523   0.839   6.448
  119   2HB   ASP  15          HB1       ASP  15  -5.404   2.099   5.586
  120    H    GLU  16           HN       GLU  16  -5.882  -0.373   2.177
  121    HA   GLU  16           HA       GLU  16  -5.598   1.792   0.439
  122   1HB   GLU  16          HB2       GLU  16  -7.540  -0.462   0.827
  123   2HB   GLU  16          HB1       GLU  16  -7.905   0.744  -0.402
  124   1HG   GLU  16          HG1       GLU  16  -5.479   0.379  -1.211
  125   2HG   GLU  16          HG2       GLU  16  -5.510  -1.081  -0.225
  126    H    ALA  17           HN       ALA  17  -7.846   1.429   3.110
  127    HA   ALA  17           HA       ALA  17  -9.353   3.856   2.258
  128   1HB   ALA  17          HB1       ALA  17 -10.994   2.480   3.032
  129   2HB   ALA  17          HB2       ALA  17 -10.397   2.850   4.650
  130   3HB   ALA  17          HB3       ALA  17  -9.823   1.412   3.804
  131    H    LEU  18           HN       LEU  18  -6.509   3.669   3.530
  132    HA   LEU  18           HA       LEU  18  -6.686   6.041   5.141
  133   1HB   LEU  18          HB1       LEU  18  -7.694   3.929   6.467
  134   2HB   LEU  18          HB2       LEU  18  -5.988   3.667   6.831
  135    HG   LEU  18           HG       LEU  18  -7.052   5.061   8.567
  136   1HD1  LEU  18          HD21      LEU  18  -4.655   5.414   7.874
  137   2HD1  LEU  18          HD22      LEU  18  -5.413   6.841   8.580
  138   3HD1  LEU  18          HD23      LEU  18  -5.207   6.726   6.833
  139   1HD2  LEU  18          HD11      LEU  18  -8.610   6.071   6.642
  140   2HD2  LEU  18          HD12      LEU  18  -7.363   7.319   6.636
  141   3HD2  LEU  18          HD13      LEU  18  -8.261   6.976   8.115
  142    H    GLY  19           HN       GLY  19  -4.920   6.007   3.325
  143   1HA   GLY  19          HA1       GLY  19  -2.515   4.491   3.693
  144   2HA   GLY  19          HA2       GLY  19  -2.632   5.986   2.768
  145    H    ASP  20           HN       ASP  20  -0.946   7.195   3.557
  146    HA   ASP  20           HA       ASP  20  -0.489   7.317   6.492
  147   1HB   ASP  20          HB1       ASP  20   1.019   8.121   3.990
  148   2HB   ASP  20          HB2       ASP  20   1.580   8.579   5.598
  149    H    GLU  21           HN       GLU  21   0.153   9.601   7.283
  150    HA   GLU  21           HA       GLU  21  -1.987  11.491   6.496
  151   1HB   GLU  21          HB1       GLU  21  -0.003  11.154   8.739
  152   2HB   GLU  21          HB2       GLU  21  -0.797  12.713   8.515
  153   1HG   GLU  21          HG2       GLU  21  -2.794  10.687   8.292
  154   2HG   GLU  21          HG1       GLU  21  -1.848  10.347   9.741
  155    H    ALA  22           HN       ALA  22   1.461  11.047   6.144
  156    HA   ALA  22           HA       ALA  22   1.943  13.840   5.323
  157   1HB   ALA  22          HB1       ALA  22   3.586  11.292   5.498
  158   2HB   ALA  22          HB2       ALA  22   3.661  12.691   6.569
  159   3HB   ALA  22          HB3       ALA  22   4.257  12.815   4.914
  160    H    GLU  23           HN       GLU  23   1.647  10.625   3.832
  161    HA   GLU  23           HA       GLU  23   2.415  11.411   1.169
  162   1HB   GLU  23          HB1       GLU  23   2.346   9.083   2.014
  163   2HB   GLU  23          HB2       GLU  23   0.597   9.204   2.216
  164   1HG   GLU  23          HG1       GLU  23   0.759   8.169   0.127
  165   2HG   GLU  23          HG2       GLU  23   0.638   9.868  -0.331
  166    H    GLY  24           HN       GLY  24  -0.503  11.814   3.031
  167   1HA   GLY  24          HA2       GLY  24  -2.415  13.095   2.489
  168   2HA   GLY  24          HA1       GLY  24  -1.697  13.423   0.910
  169    H    PHE  25           HN       PHE  25  -2.094  10.164   2.190
  170    HA   PHE  25           HA       PHE  25  -3.501   9.304  -0.183
  171   1HB   PHE  25          HB1       PHE  25  -2.288   8.250   2.246
  172   2HB   PHE  25          HB2       PHE  25  -3.813   7.446   1.925
  173    HD1  PHE  25           HD1      PHE  25  -3.772   7.646  -1.131
  174    HD2  PHE  25           HD2      PHE  25  -0.773   6.505   1.725
  175    HE1  PHE  25           HE1      PHE  25  -2.652   6.259  -2.857
  176    HE2  PHE  25           HE2      PHE  25   0.336   5.119   0.007
  177    HZ   PHE  25           HZ       PHE  25  -0.593   4.997  -2.288
  178    H    THR  26           HN       THR  26  -5.363  10.835  -0.093
  179    HA   THR  26           HA       THR  26  -7.218  11.160   1.952
  180    HB   THR  26           HB       THR  26  -7.115  12.257  -0.290
  181    HG1  THR  26           HG1      THR  26  -9.161  12.719  -0.108
  182   1HG2  THR  26          HG21      THR  26  -6.797  10.066  -1.515
  183   2HG2  THR  26          HG22      THR  26  -7.985  11.149  -2.239
  184   3HG2  THR  26          HG23      THR  26  -8.518   9.766  -1.282
  185    HA   PRO  27           HA       PRO  27  -8.917   7.193   2.848
  186   1HB   PRO  27          HB2       PRO  27 -11.536   8.618   3.025
  187   2HB   PRO  27          HB1       PRO  27 -10.729   7.599   4.230
  188   1HG   PRO  27          HG1       PRO  27 -10.821  10.270   4.446
  189   2HG   PRO  27          HG2       PRO  27  -9.441   9.322   5.015
  190   1HD   PRO  27          HD1       PRO  27  -9.683  11.064   2.627
  191   2HD   PRO  27          HD2       PRO  27  -8.255  10.673   3.607
  192    H    GLY  28           HN       GLY  28  -9.015   5.939   0.999
  193   1HA   GLY  28          HA2       GLY  28 -10.873   4.918  -0.426
  194   2HA   GLY  28          HA1       GLY  28 -11.184   6.568  -0.964
  195    H    THR  29           HN       THR  29  -8.069   4.903  -0.460
  196    HA   THR  29           HA       THR  29  -7.489   5.360  -3.372
  197    HB   THR  29           HB       THR  29  -5.402   5.272  -1.199
  198    HG1  THR  29           HG1      THR  29  -6.654   6.800  -0.350
  199   1HG2  THR  29          HG21      THR  29  -4.568   7.158  -2.847
  200   2HG2  THR  29          HG22      THR  29  -5.713   6.410  -3.960
  201   3HG2  THR  29          HG23      THR  29  -4.388   5.460  -3.289
  202    H    ARG  30           HN       ARG  30  -6.729   3.594  -4.487
  203    HA   ARG  30           HA       ARG  30  -6.056   1.134  -2.902
  204   1HB   ARG  30          HB2       ARG  30  -7.503   1.488  -5.554
  205   2HB   ARG  30          HB1       ARG  30  -7.096  -0.074  -4.844
  206   1HG   ARG  30          HG2       ARG  30  -8.515   0.338  -2.942
  207   2HG   ARG  30          HG1       ARG  30  -8.756   2.019  -3.415
  208   1HD   ARG  30          HD1       ARG  30 -10.630   1.290  -4.488
  209   2HD   ARG  30          HD2       ARG  30  -9.535   0.556  -5.675
  210    HE   ARG  30           HE       ARG  30  -9.543  -1.273  -3.605
  211   1HH1  ARG  30          HH22      ARG  30 -12.033   0.301  -5.460
  212   2HH1  ARG  30          HH21      ARG  30 -13.138  -1.021  -5.302
  213   1HH2  ARG  30          HH11      ARG  30 -10.995  -2.975  -3.414
  214   2HH2  ARG  30          HH12      ARG  30 -12.557  -2.862  -4.154
  215    H    PHE  31           HN       PHE  31  -4.233  -0.036  -3.620
  216    HA   PHE  31           HA       PHE  31  -2.068   1.214  -4.863
  217   1HB   PHE  31          HB1       PHE  31  -2.758  -1.298  -3.854
  218   2HB   PHE  31          HB2       PHE  31  -2.313  -1.632  -5.527
  219    HD1  PHE  31           HD1      PHE  31  -0.090  -2.260  -5.792
  220    HD2  PHE  31           HD2      PHE  31  -1.090   0.672  -2.817
  221    HE1  PHE  31           HE1      PHE  31   2.308  -2.051  -5.191
  222    HE2  PHE  31           HE2      PHE  31   1.301   0.880  -2.218
  223    HZ   PHE  31           HZ       PHE  31   3.004  -0.481  -3.403
  224    H    GLU  32           HN       GLU  32  -4.481  -0.907  -6.467
  225    HA   GLU  32           HA       GLU  32  -3.502  -0.769  -9.111
  226   1HB   GLU  32          HB1       GLU  32  -5.328  -2.215  -8.375
  227   2HB   GLU  32          HB2       GLU  32  -6.332  -0.814  -8.003
  228   1HG   GLU  32          HG2       GLU  32  -5.510  -0.445 -10.667
  229   2HG   GLU  32          HG1       GLU  32  -5.929  -2.154 -10.546
  230    H    ASP  33           HN       ASP  33  -5.163   1.628  -7.179
  231    HA   ASP  33           HA       ASP  33  -5.497   3.430  -9.526
  232   1HB   ASP  33          HB2       ASP  33  -6.909   2.863  -7.124
  233   2HB   ASP  33          HB1       ASP  33  -6.301   4.512  -6.966
  234    H    ILE  34           HN       ILE  34  -2.914   2.652  -7.855
  235    HA   ILE  34           HA       ILE  34  -2.031   5.488  -7.414
  236    HB   ILE  34           HB       ILE  34  -1.367   2.888  -5.984
  237   1HG1  ILE  34          HG12      ILE  34  -2.535   5.437  -4.862
  238   2HG1  ILE  34          HG11      ILE  34  -3.543   4.135  -5.490
  239   1HG2  ILE  34          HG21      ILE  34  -0.357   5.290  -4.717
  240   2HG2  ILE  34          HG22      ILE  34   0.316   5.116  -6.338
  241   3HG2  ILE  34          HG23      ILE  34   0.508   3.819  -5.160
  242   1HD1  ILE  34          HD11      ILE  34  -1.392   3.455  -3.517
  243   2HD1  ILE  34          HD12      ILE  34  -2.951   2.675  -3.782
  244   3HD1  ILE  34          HD13      ILE  34  -2.870   4.211  -2.921
  245    HA   PRO  35           HA       PRO  35   0.731   3.329 -10.479
  246   1HB   PRO  35          HB1       PRO  35   0.152   4.765 -12.717
  247   2HB   PRO  35          HB2       PRO  35  -0.839   3.385 -12.206
  248   1HG   PRO  35          HG1       PRO  35  -1.343   6.305 -11.902
  249   2HG   PRO  35          HG2       PRO  35  -2.476   4.997 -12.267
  250   1HD   PRO  35          HD2       PRO  35  -2.135   6.147  -9.775
  251   2HD   PRO  35          HD1       PRO  35  -2.826   4.540 -10.070
  252    H    ASP  36           HN       ASP  36   0.732   6.097  -8.828
  253    HA   ASP  36           HA       ASP  36   2.602   7.674 -10.469
  254   1HB   ASP  36          HB2       ASP  36   0.814   8.008  -8.230
  255   2HB   ASP  36          HB1       ASP  36   2.414   8.598  -7.781
  256    H    ASP  37           HN       ASP  37   3.633   5.067  -9.827
  257    HA   ASP  37           HA       ASP  37   5.518   4.024  -8.852
  258   1HB   ASP  37          HB2       ASP  37   6.251   6.129 -10.242
  259   2HB   ASP  37          HB1       ASP  37   6.611   6.831  -8.664
  260    H    TRP  38           HN       TRP  38   3.416   5.131  -6.966
  261    HA   TRP  38           HA       TRP  38   4.496   6.391  -4.691
  262   1HB   TRP  38          HB1       TRP  38   2.115   5.957  -5.029
  263   2HB   TRP  38          HB2       TRP  38   2.393   4.216  -4.995
  264    HD1  TRP  38           HD1      TRP  38   1.991   7.229  -2.751
  265    HE1  TRP  38           HE1      TRP  38   1.962   6.467  -0.287
  266    HE3  TRP  38           HE3      TRP  38   3.339   2.341  -3.328
  267    HZ2  TRP  38           HZ2      TRP  38   2.445   4.096   1.235
  268    HZ3  TRP  38           HZ3      TRP  38   3.541   0.853  -1.358
  269    HH2  TRP  38           HH2      TRP  38   3.101   1.723   0.922
  270    H    CYS  39           HN       CYS  39   5.404   5.543  -2.738
  271    HA   CYS  39           HA       CYS  39   6.216   2.684  -2.699
  272   1HB   CYS  39          HB1       CYS  39   8.046   5.107  -2.750
  273   2HB   CYS  39          HB2       CYS  39   8.595   3.513  -2.233
  274    HG   CYS  39           HG       CYS  39   8.737   4.183  -4.981
  275    H    CYS  40           HN       CYS  40   7.906   2.752  -0.529
  276    HA   CYS  40           HA       CYS  40   6.074   3.343   1.673
  277   1HB   CYS  40          HB1       CYS  40   8.253   1.645   1.080
  278   2HB   CYS  40          HB2       CYS  40   8.822   2.688   2.377
  279    HA   PRO  41           HA       PRO  41   7.538   7.251   3.031
  280   1HB   PRO  41          HB1       PRO  41   8.520   6.123   5.604
  281   2HB   PRO  41          HB2       PRO  41   7.294   7.373   5.323
  282   1HG   PRO  41          HG1       PRO  41   6.656   4.889   6.117
  283   2HG   PRO  41          HG2       PRO  41   5.609   5.845   5.058
  284   1HD   PRO  41          HD2       PRO  41   7.380   3.547   4.398
  285   2HD   PRO  41          HD1       PRO  41   5.825   4.022   3.684
  286    H    ASP  42           HN       ASP  42   9.761   4.656   4.096
  287    HA   ASP  42           HA       ASP  42  11.981   5.583   2.534
  288   1HB   ASP  42          HB1       ASP  42  11.429   7.268   4.625
  289   2HB   ASP  42          HB2       ASP  42  12.567   6.160   5.390
  290    H    CYS  43           HN       CYS  43  11.138   3.046   2.795
  291    HA   CYS  43           HA       CYS  43  13.384   1.715   4.131
  292   1HB   CYS  43          HB2       CYS  43  11.842   0.387   5.613
  293   2HB   CYS  43          HB1       CYS  43  11.874   2.104   6.009
  294    H    GLY  44           HN       GLY  44  10.254   1.373   2.453
  295   1HA   GLY  44          HA1       GLY  44  11.077  -1.309   1.496
  296   2HA   GLY  44          HA2       GLY  44   9.475  -0.599   1.301
  297    H    ALA  45           HN       ALA  45  10.244   1.914   0.249
  298    HA   ALA  45           HA       ALA  45  10.719   2.929  -1.824
  299   1HB   ALA  45          HB1       ALA  45  12.922   1.414  -0.912
  300   2HB   ALA  45          HB2       ALA  45  12.961   2.731  -2.084
  301   3HB   ALA  45          HB3       ALA  45  12.786   1.066  -2.638
  302    H    THR  46           HN       THR  46  10.674   2.529  -4.197
  303    HA   THR  46           HA       THR  46   9.525   1.584  -6.037
  304    HB   THR  46           HB       THR  46  10.246  -1.126  -5.704
  305    HG1  THR  46           HG1      THR  46  12.112  -1.143  -4.675
  306   1HG2  THR  46          HG21      THR  46  11.819   1.158  -6.931
  307   2HG2  THR  46          HG22      THR  46  10.511   0.280  -7.724
  308   3HG2  THR  46          HG23      THR  46  12.011  -0.553  -7.314
  309    H    LYS  47           HN       LYS  47   8.446  -0.983  -6.380
  310    HA   LYS  47           HA       LYS  47   6.235  -1.016  -4.349
  311   1HB   LYS  47          HB1       LYS  47   6.197  -1.558  -7.342
  312   2HB   LYS  47          HB2       LYS  47   4.790  -1.633  -6.279
  313   1HG   LYS  47          HG1       LYS  47   6.085   0.869  -5.823
  314   2HG   LYS  47          HG2       LYS  47   5.921   0.665  -7.567
  315   1HD   LYS  47          HD2       LYS  47   3.475  -0.201  -6.728
  316   2HD   LYS  47          HD1       LYS  47   3.828   1.017  -5.501
  317   1HE   LYS  47          HE2       LYS  47   4.104   2.736  -7.163
  318   2HE   LYS  47          HE1       LYS  47   4.099   1.546  -8.479
  319   1HZ   LYS  47          HZ1       LYS  47   1.853   0.862  -7.668
  320   2HZ   LYS  47          HZ2       LYS  47   1.904   2.432  -8.313
  321   3HZ   LYS  47          HZ3       LYS  47   1.866   2.207  -6.631
  322    H    GLU  48           HN       GLU  48   8.573  -2.881  -6.153
  323    HA   GLU  48           HA       GLU  48   7.493  -5.480  -6.067
  324   1HB   GLU  48          HB1       GLU  48  10.101  -4.143  -6.247
  325   2HB   GLU  48          HB2       GLU  48  10.212  -5.738  -5.504
  326   1HG   GLU  48          HG2       GLU  48  10.454  -5.918  -7.943
  327   2HG   GLU  48          HG1       GLU  48   8.962  -6.700  -7.420
  328    H    ASP  49           HN       ASP  49   8.849  -3.524  -3.473
  329    HA   ASP  49           HA       ASP  49   9.165  -5.702  -1.573
  330   1HB   ASP  49          HB1       ASP  49   8.947  -2.679  -1.332
  331   2HB   ASP  49          HB2       ASP  49   9.404  -3.742  -0.001
  332    H    TYR  50           HN       TYR  50   6.470  -3.835  -2.699
  333    HA   TYR  50           HA       TYR  50   4.853  -4.431  -0.280
  334   1HB   TYR  50          HB1       TYR  50   4.871  -2.548  -2.552
  335   2HB   TYR  50          HB2       TYR  50   3.263  -3.135  -2.131
  336    HD1  TYR  50           HD1      TYR  50   5.905  -0.872  -1.257
  337    HD2  TYR  50           HD2      TYR  50   2.573  -3.053   0.350
  338    HE1  TYR  50           HE1      TYR  50   5.858   0.646   0.705
  339    HE2  TYR  50           HE2      TYR  50   2.524  -1.537   2.312
  340    HH   TYR  50           HH       TYR  50   4.351  -0.024   3.510
  341    H    VAL  51           HN       VAL  51   3.274  -5.992  -0.275
  342    HA   VAL  51           HA       VAL  51   2.493  -7.244  -2.878
  343    HB   VAL  51           HB       VAL  51   2.712  -9.453  -1.703
  344   1HG1  VAL  51          HG11      VAL  51   5.101  -9.580  -1.892
  345   2HG1  VAL  51          HG12      VAL  51   5.283  -7.863  -1.540
  346   3HG1  VAL  51          HG13      VAL  51   4.574  -8.378  -3.070
  347   1HG2  VAL  51          HG21      VAL  51   3.993  -7.764   0.466
  348   2HG2  VAL  51          HG22      VAL  51   3.903  -9.525   0.445
  349   3HG2  VAL  51          HG23      VAL  51   2.429  -8.568   0.597
  350    H    LEU  52           HN       LEU  52   0.412  -8.478  -2.651
  351    HA   LEU  52           HA       LEU  52  -1.516  -6.976  -1.066
  352   1HB   LEU  52          HB2       LEU  52  -1.571  -8.229  -3.418
  353   2HB   LEU  52          HB1       LEU  52  -2.119  -9.571  -2.415
  354    HG   LEU  52           HG       LEU  52  -3.375  -6.942  -1.860
  355   1HD1  LEU  52          HD21      LEU  52  -5.017  -7.614  -3.829
  356   2HD1  LEU  52          HD22      LEU  52  -3.557  -8.343  -4.497
  357   3HD1  LEU  52          HD23      LEU  52  -3.595  -6.617  -4.139
  358   1HD2  LEU  52          HD11      LEU  52  -4.312  -9.807  -2.142
  359   2HD2  LEU  52          HD12      LEU  52  -5.398  -8.460  -1.794
  360   3HD2  LEU  52          HD13      LEU  52  -4.120  -8.881  -0.652
  361    H    TYR  53           HN       TYR  53  -1.869  -7.402   1.067
  362    HA   TYR  53           HA       TYR  53  -0.864  -9.644   2.500
  363   1HB   TYR  53          HB2       TYR  53  -1.802  -7.280   3.186
  364   2HB   TYR  53          HB1       TYR  53  -3.346  -8.126   3.289
  365    HD1  TYR  53           HD1      TYR  53   0.173  -9.115   4.136
  366    HD2  TYR  53           HD2      TYR  53  -3.856  -8.580   5.520
  367    HE1  TYR  53           HE1      TYR  53   0.818 -10.014   6.354
  368    HE2  TYR  53           HE2      TYR  53  -3.213  -9.480   7.740
  369    HH   TYR  53           HH       TYR  53  -0.709  -9.566   9.030
  370    H    GLU  54           HN       GLU  54  -1.732 -11.666   2.922
  371    HA   GLU  54           HA       GLU  54  -3.138 -13.543   2.623
  372   1HB   GLU  54          HB2       GLU  54  -4.884 -11.156   3.177
  373   2HB   GLU  54          HB1       GLU  54  -5.645 -12.708   2.830
  374   1HG   GLU  54          HG2       GLU  54  -4.070 -13.686   4.616
  375   2HG   GLU  54          HG1       GLU  54  -3.759 -12.015   5.087
  376    H    GLU  55           HN       GLU  55  -2.571 -13.993   0.401
  377    HA   GLU  55           HA       GLU  55  -4.237 -12.737  -1.716
  378   1HB   GLU  55          HB1       GLU  55  -1.652 -13.148  -1.687
  379   2HB   GLU  55          HB2       GLU  55  -2.074 -14.818  -2.064
  380   1HG   GLU  55          HG2       GLU  55  -3.398 -13.993  -4.019
  381   2HG   GLU  55          HG1       GLU  55  -2.834 -12.359  -3.670
  382    H    LYS  56           HN       LYS  56  -6.163 -13.982  -0.723
  383    HA   LYS  56           HA       LYS  56  -6.260 -16.870  -0.974
  384   1HB   LYS  56          HB2       LYS  56  -8.323 -14.658  -0.703
  385   2HB   LYS  56          HB1       LYS  56  -8.738 -16.371  -0.648
  386   1HG   LYS  56          HG2       LYS  56  -7.066 -16.627   1.228
  387   2HG   LYS  56          HG1       LYS  56  -6.906 -14.871   1.242
  388   1HD   LYS  56          HD1       LYS  56  -9.032 -14.546   2.090
  389   2HD   LYS  56          HD2       LYS  56  -9.663 -16.021   1.358
  390   1HE   LYS  56          HE2       LYS  56  -8.766 -17.392   3.061
  391   2HE   LYS  56          HE1       LYS  56  -7.608 -16.151   3.573
  392   1HZ   LYS  56          HZ1       LYS  56 -10.571 -15.902   3.733
  393   2HZ   LYS  56          HZ2       LYS  56  -9.438 -14.759   4.277
  394   3HZ   LYS  56          HZ3       LYS  56  -9.561 -16.267   5.049
  Start of MODEL   14
    1    H    ALA   1           HT1      ALA   1 -15.108  -1.061  -1.692
    2    HA   ALA   1           HA       ALA   1 -14.498  -2.947  -0.356
    3   1HB   ALA   1          HB1       ALA   1 -14.904  -4.160  -2.926
    4   2HB   ALA   1          HB2       ALA   1 -14.667  -4.965  -1.374
    5   3HB   ALA   1          HB3       ALA   1 -13.276  -4.565  -2.382
    6    H    TYR   2           HN       TYR   2 -12.279  -3.224   0.331
    7    HA   TYR   2           HA       TYR   2 -10.246  -1.790  -1.343
    8   1HB   TYR   2          HB2       TYR   2 -10.960  -1.533   1.594
    9   2HB   TYR   2          HB1       TYR   2  -9.435  -0.930   0.943
   10    HD1  TYR   2           HD1      TYR   2 -12.406   0.259   1.984
   11    HD2  TYR   2           HD2      TYR   2 -10.069   0.188  -1.619
   12    HE1  TYR   2           HE1      TYR   2 -13.553   2.313   1.199
   13    HE2  TYR   2           HE2      TYR   2 -11.216   2.243  -2.404
   14    HH   TYR   2           HH       TYR   2 -13.838   3.287  -1.637
   15    H    LEU   3           HN       LEU   3  -8.336  -2.896  -1.524
   16    HA   LEU   3           HA       LEU   3  -8.071  -5.488  -0.118
   17   1HB   LEU   3          HB1       LEU   3  -7.250  -4.221  -2.597
   18   2HB   LEU   3          HB2       LEU   3  -5.855  -4.938  -1.790
   19    HG   LEU   3           HG       LEU   3  -7.381  -7.016  -1.470
   20   1HD1  LEU   3          HD21      LEU   3  -8.843  -5.491  -3.644
   21   2HD1  LEU   3          HD22      LEU   3  -9.497  -6.011  -2.092
   22   3HD1  LEU   3          HD23      LEU   3  -9.081  -7.208  -3.318
   23   1HD2  LEU   3          HD11      LEU   3  -5.537  -6.281  -3.403
   24   2HD2  LEU   3          HD12      LEU   3  -6.920  -6.812  -4.359
   25   3HD2  LEU   3          HD13      LEU   3  -6.191  -7.904  -3.182
   26    H    LYS   4           HN       LYS   4  -5.840  -6.018   0.784
   27    HA   LYS   4           HA       LYS   4  -4.587  -3.601   2.044
   28   1HB   LYS   4          HB1       LYS   4  -5.170  -6.346   3.217
   29   2HB   LYS   4          HB2       LYS   4  -4.363  -5.030   4.071
   30   1HG   LYS   4          HG2       LYS   4  -6.359  -4.163   4.638
   31   2HG   LYS   4          HG1       LYS   4  -6.785  -4.010   2.933
   32   1HD   LYS   4          HD1       LYS   4  -8.052  -5.908   2.950
   33   2HD   LYS   4          HD2       LYS   4  -6.941  -6.755   4.027
   34   1HE   LYS   4          HE2       LYS   4  -7.812  -5.180   5.882
   35   2HE   LYS   4          HE1       LYS   4  -9.132  -4.801   4.759
   36   1HZ   LYS   4          HZ1       LYS   4  -8.304  -7.578   5.405
   37   2HZ   LYS   4          HZ2       LYS   4  -9.717  -7.074   4.609
   38   3HZ   LYS   4          HZ3       LYS   4  -9.521  -6.768   6.268
   39    H    TRP   5           HN       TRP   5  -2.437  -3.471   1.576
   40    HA   TRP   5           HA       TRP   5  -1.026  -5.934   0.617
   41   1HB   TRP   5          HB2       TRP   5  -0.253  -3.004   0.388
   42   2HB   TRP   5          HB1       TRP   5   0.456  -4.352  -0.493
   43    HD1  TRP   5           HD1      TRP   5  -2.995  -2.652  -0.101
   44    HE1  TRP   5           HE1      TRP   5  -4.198  -2.759  -2.374
   45    HE3  TRP   5           HE3      TRP   5   0.429  -5.330  -2.772
   46    HZ2  TRP   5           HZ2      TRP   5  -3.766  -3.856  -4.991
   47    HZ3  TRP   5           HZ3      TRP   5   0.012  -5.895  -5.148
   48    HH2  TRP   5           HH2      TRP   5  -2.078  -5.162  -6.260
   49    H    ILE   6           HN       ILE   6   1.467  -5.658   1.134
   50    HA   ILE   6           HA       ILE   6   2.032  -4.396   3.716
   51    HB   ILE   6           HB       ILE   6   0.840  -6.569   4.162
   52   1HG1  ILE   6          HG11      ILE   6   2.381  -5.468   5.790
   53   2HG1  ILE   6          HG12      ILE   6   2.304  -7.215   5.974
   54   1HG2  ILE   6          HG21      ILE   6   1.866  -7.827   2.272
   55   2HG2  ILE   6          HG22      ILE   6   2.040  -8.662   3.815
   56   3HG2  ILE   6          HG23      ILE   6   3.409  -7.794   3.126
   57   1HD1  ILE   6          HD11      ILE   6   4.571  -5.514   5.215
   58   2HD1  ILE   6          HD12      ILE   6   4.372  -6.927   4.179
   59   3HD1  ILE   6          HD13      ILE   6   4.561  -7.132   5.917
   60    H    CYS   7           HN       CYS   7   4.098  -3.663   3.591
   61    HA   CYS   7           HA       CYS   7   5.859  -4.445   1.411
   62   1HB   CYS   7          HB2       CYS   7   5.609  -2.188   2.620
   63   2HB   CYS   7          HB1       CYS   7   6.519  -2.913   3.944
   64    H    ILE   8           HN       ILE   8   6.230  -6.733   1.743
   65    HA   ILE   8           HA       ILE   8   6.891  -8.045   4.137
   66    HB   ILE   8           HB       ILE   8   8.029  -9.658   2.599
   67   1HG1  ILE   8          HG11      ILE   8   7.463  -7.672   0.396
   68   2HG1  ILE   8          HG12      ILE   8   9.027  -7.732   1.209
   69   1HG2  ILE   8          HG21      ILE   8   6.084 -10.187   1.302
   70   2HG2  ILE   8          HG22      ILE   8   5.549  -8.507   1.302
   71   3HG2  ILE   8          HG23      ILE   8   5.501  -9.448   2.793
   72   1HD1  ILE   8          HD11      ILE   8   9.218  -9.141  -0.723
   73   2HD1  ILE   8          HD12      ILE   8   7.678  -9.929  -0.379
   74   3HD1  ILE   8          HD13      ILE   8   9.070 -10.222   0.662
   75    H    THR   9           HN       THR   9   8.814  -5.828   2.256
   76    HA   THR   9           HA       THR   9  11.436  -6.527   3.060
   77    HB   THR   9           HB       THR   9  10.123  -3.832   2.543
   78    HG1  THR   9           HG1      THR   9  10.812  -4.210   0.441
   79   1HG2  THR   9          HG21      THR   9  12.710  -3.647   1.667
   80   2HG2  THR   9          HG22      THR   9  12.901  -4.648   3.106
   81   3HG2  THR   9          HG23      THR   9  12.146  -3.059   3.232
   82    H    CYS  10           HN       CYS  10   8.873  -4.862   4.834
   83    HA   CYS  10           HA       CYS  10  10.698  -4.781   7.204
   84   1HB   CYS  10          HB1       CYS  10   9.737  -2.514   7.683
   85   2HB   CYS  10          HB2       CYS  10  10.637  -2.567   6.168
   86    H    GLY  11           HN       GLY  11   7.324  -4.782   6.013
   87   1HA   GLY  11          HA2       GLY  11   5.822  -6.406   7.180
   88   2HA   GLY  11          HA1       GLY  11   6.548  -5.866   8.691
   89    H    HIS  12           HN       HIS  12   5.929  -3.424   6.315
   90    HA   HIS  12           HA       HIS  12   3.891  -2.228   8.097
   91   1HB   HIS  12          HB2       HIS  12   5.959  -1.340   6.404
   92   2HB   HIS  12          HB1       HIS  12   4.472  -0.838   5.601
   93    HD1  HIS  12           HD1      HIS  12   4.314   1.599   6.223
   94    HD2  HIS  12           HD2      HIS  12   5.083  -0.816   9.534
   95    HE1  HIS  12           HE1      HIS  12   4.162   3.101   8.257
   96    H    ILE  13           HN       ILE  13   1.793  -2.852   7.771
   97    HA   ILE  13           HA       ILE  13   0.910  -3.922   5.182
   98    HB   ILE  13           HB       ILE  13  -0.371  -3.409   7.886
   99   1HG1  ILE  13          HG12      ILE  13   0.163  -6.028   6.472
  100   2HG1  ILE  13          HG11      ILE  13   1.365  -5.260   7.509
  101   1HG2  ILE  13          HG21      ILE  13  -1.581  -4.692   5.413
  102   2HG2  ILE  13          HG22      ILE  13  -2.134  -3.213   6.202
  103   3HG2  ILE  13          HG23      ILE  13  -2.291  -4.764   7.027
  104   1HD1  ILE  13          HD11      ILE  13  -1.358  -6.323   8.263
  105   2HD1  ILE  13          HD12      ILE  13  -0.516  -5.154   9.281
  106   3HD1  ILE  13          HD13      ILE  13   0.210  -6.730   8.962
  107    H    TYR  14           HN       TYR  14  -0.059  -2.708   3.605
  108    HA   TYR  14           HA       TYR  14  -0.721   0.129   4.164
  109   1HB   TYR  14          HB1       TYR  14   0.606  -0.406   2.188
  110   2HB   TYR  14          HB2       TYR  14  -0.590  -1.588   1.656
  111    HD1  TYR  14           HD1      TYR  14  -2.216  -0.906   0.101
  112    HD2  TYR  14           HD2      TYR  14  -0.339   2.014   2.629
  113    HE1  TYR  14           HE1      TYR  14  -3.451   0.900  -1.066
  114    HE2  TYR  14           HE2      TYR  14  -1.575   3.821   1.462
  115    HH   TYR  14           HH       TYR  14  -4.218   3.292  -0.459
  116    H    ASP  15           HN       ASP  15  -2.794   0.621   4.730
  117    HA   ASP  15           HA       ASP  15  -4.967  -1.312   4.090
  118   1HB   ASP  15          HB1       ASP  15  -4.913   1.151   5.874
  119   2HB   ASP  15          HB2       ASP  15  -6.159  -0.097   5.852
  120    H    GLU  16           HN       GLU  16  -5.687  -0.845   2.012
  121    HA   GLU  16           HA       GLU  16  -5.651   1.530   0.581
  122   1HB   GLU  16          HB2       GLU  16  -7.420  -0.886   0.737
  123   2HB   GLU  16          HB1       GLU  16  -7.920   0.438  -0.312
  124   1HG   GLU  16          HG1       GLU  16  -5.425   0.328  -1.151
  125   2HG   GLU  16          HG2       GLU  16  -5.484  -1.307  -0.495
  126    H    ALA  17           HN       ALA  17  -7.800   0.682   3.235
  127    HA   ALA  17           HA       ALA  17  -9.554   3.013   2.708
  128   1HB   ALA  17          HB1       ALA  17 -10.455   1.922   5.006
  129   2HB   ALA  17          HB2       ALA  17  -9.526   0.551   4.401
  130   3HB   ALA  17          HB3       ALA  17 -10.836   1.224   3.432
  131    H    LEU  18           HN       LEU  18  -6.593   3.063   3.733
  132    HA   LEU  18           HA       LEU  18  -6.886   5.352   5.458
  133   1HB   LEU  18          HB1       LEU  18  -7.448   2.998   6.713
  134   2HB   LEU  18          HB2       LEU  18  -5.712   3.101   7.004
  135    HG   LEU  18           HG       LEU  18  -7.438   5.517   7.473
  136   1HD1  LEU  18          HD11      LEU  18  -8.175   3.210   8.661
  137   2HD1  LEU  18          HD12      LEU  18  -8.271   4.769   9.479
  138   3HD1  LEU  18          HD13      LEU  18  -6.896   3.704   9.771
  139   1HD2  LEU  18          HD21      LEU  18  -5.685   6.002   9.122
  140   2HD2  LEU  18          HD22      LEU  18  -4.960   5.668   7.549
  141   3HD2  LEU  18          HD23      LEU  18  -4.937   4.436   8.810
  142    H    GLY  19           HN       GLY  19  -5.328   5.556   3.451
  143   1HA   GLY  19          HA1       GLY  19  -2.703   4.344   3.690
  144   2HA   GLY  19          HA2       GLY  19  -3.139   5.647   2.585
  145    H    ASP  20           HN       ASP  20  -1.401   7.016   3.032
  146    HA   ASP  20           HA       ASP  20  -0.837   7.758   5.847
  147   1HB   ASP  20          HB1       ASP  20   0.512   7.641   3.252
  148   2HB   ASP  20          HB2       ASP  20   0.814   9.172   4.079
  149    H    GLU  21           HN       GLU  21  -0.583  10.143   6.302
  150    HA   GLU  21           HA       GLU  21  -2.785  11.669   4.983
  151   1HB   GLU  21          HB1       GLU  21  -1.335  11.777   7.638
  152   2HB   GLU  21          HB2       GLU  21  -2.384  13.095   7.112
  153   1HG   GLU  21          HG1       GLU  21  -4.246  11.915   7.602
  154   2HG   GLU  21          HG2       GLU  21  -3.651  10.498   6.737
  155    H    ALA  22           HN       ALA  22   0.629  11.973   5.987
  156    HA   ALA  22           HA       ALA  22   1.039  14.639   5.024
  157   1HB   ALA  22          HB1       ALA  22   2.836  12.226   5.436
  158   2HB   ALA  22          HB2       ALA  22   2.577  13.566   6.553
  159   3HB   ALA  22          HB3       ALA  22   3.461  13.829   5.049
  160    H    GLU  23           HN       GLU  23   1.753  11.475   3.484
  161    HA   GLU  23           HA       GLU  23   2.723  12.454   1.012
  162   1HB   GLU  23          HB2       GLU  23   1.064   9.974   1.613
  163   2HB   GLU  23          HB1       GLU  23   2.173  10.178   0.263
  164   1HG   GLU  23          HG1       GLU  23   3.705  10.821   2.510
  165   2HG   GLU  23          HG2       GLU  23   2.753   9.424   3.011
  166    H    GLY  24           HN       GLY  24  -0.514  12.366   2.293
  167   1HA   GLY  24          HA2       GLY  24  -2.323  13.646   1.325
  168   2HA   GLY  24          HA1       GLY  24  -1.513  13.552  -0.240
  169    H    PHE  25           HN       PHE  25  -1.727  10.671   1.704
  170    HA   PHE  25           HA       PHE  25  -3.307   9.349  -0.381
  171   1HB   PHE  25          HB1       PHE  25  -1.497   8.761   1.829
  172   2HB   PHE  25          HB2       PHE  25  -2.892   7.696   1.866
  173    HD1  PHE  25           HD1      PHE  25  -1.540   9.156  -1.264
  174    HD2  PHE  25           HD2      PHE  25  -1.674   5.719   1.289
  175    HE1  PHE  25           HE1      PHE  25  -0.528   7.784  -3.068
  176    HE2  PHE  25           HE2      PHE  25  -0.664   4.335  -0.509
  177    HZ   PHE  25           HZ       PHE  25  -0.089   5.370  -2.688
  178    H    THR  26           HN       THR  26  -5.279  10.724   0.038
  179    HA   THR  26           HA       THR  26  -6.728  10.951   2.399
  180    HB   THR  26           HB       THR  26  -7.196  11.932   0.148
  181    HG1  THR  26           HG1      THR  26  -8.952  12.234   1.276
  182   1HG2  THR  26          HG21      THR  26  -6.876   9.705  -1.031
  183   2HG2  THR  26          HG22      THR  26  -8.274  10.641  -1.559
  184   3HG2  THR  26          HG23      THR  26  -8.489   9.270  -0.470
  185    HA   PRO  27           HA       PRO  27  -7.965   6.921   3.642
  186   1HB   PRO  27          HB1       PRO  27 -10.661   8.010   4.238
  187   2HB   PRO  27          HB2       PRO  27  -9.484   7.274   5.338
  188   1HG   PRO  27          HG1       PRO  27 -10.013   9.912   5.330
  189   2HG   PRO  27          HG2       PRO  27  -8.420   9.258   5.733
  190   1HD   PRO  27          HD1       PRO  27  -9.341  10.604   3.244
  191   2HD   PRO  27          HD2       PRO  27  -7.748  10.636   4.027
  192    H    GLY  28           HN       GLY  28  -7.982   6.281   1.314
  193   1HA   GLY  28          HA2       GLY  28 -10.050   4.759   0.438
  194   2HA   GLY  28          HA1       GLY  28 -10.570   6.363  -0.082
  195    H    THR  29           HN       THR  29  -7.270   5.032   0.035
  196    HA   THR  29           HA       THR  29  -7.066   5.579  -2.906
  197    HB   THR  29           HB       THR  29  -4.814   5.342  -0.893
  198    HG1  THR  29           HG1      THR  29  -5.416   7.158  -0.075
  199   1HG2  THR  29          HG21      THR  29  -5.137   6.809  -3.530
  200   2HG2  THR  29          HG22      THR  29  -4.194   5.342  -3.266
  201   3HG2  THR  29          HG23      THR  29  -3.694   6.859  -2.516
  202    H    ARG  30           HN       ARG  30  -6.535   3.881  -4.223
  203    HA   ARG  30           HA       ARG  30  -5.900   1.261  -2.915
  204   1HB   ARG  30          HB2       ARG  30  -7.135   1.958  -5.606
  205   2HB   ARG  30          HB1       ARG  30  -6.947   0.327  -4.962
  206   1HG   ARG  30          HG2       ARG  30  -8.341   1.041  -2.982
  207   2HG   ARG  30          HG1       ARG  30  -8.654   2.558  -3.825
  208   1HD   ARG  30          HD2       ARG  30  -9.129   0.199  -5.514
  209   2HD   ARG  30          HD1       ARG  30 -10.184   0.267  -4.089
  210    HE   ARG  30           HE       ARG  30  -9.892   2.849  -5.429
  211   1HH1  ARG  30          HH11      ARG  30 -11.625  -0.170  -5.354
  212   2HH1  ARG  30          HH12      ARG  30 -13.028   0.490  -6.118
  213   1HH2  ARG  30          HH22      ARG  30 -11.725   3.683  -6.420
  214   2HH2  ARG  30          HH21      ARG  30 -13.086   2.655  -6.719
  215    H    PHE  31           HN       PHE  31  -4.135   0.055  -3.732
  216    HA   PHE  31           HA       PHE  31  -1.854   1.374  -4.727
  217   1HB   PHE  31          HB1       PHE  31  -2.739  -1.250  -4.068
  218   2HB   PHE  31          HB2       PHE  31  -2.005  -1.359  -5.667
  219    HD1  PHE  31           HD1      PHE  31   0.208  -2.056  -5.544
  220    HD2  PHE  31           HD2      PHE  31  -1.290   0.675  -2.587
  221    HE1  PHE  31           HE1      PHE  31   2.461  -1.933  -4.519
  222    HE2  PHE  31           HE2      PHE  31   0.966   0.798  -1.560
  223    HZ   PHE  31           HZ       PHE  31   2.841  -0.508  -2.528
  224    H    GLU  32           HN       GLU  32  -4.422  -0.322  -6.540
  225    HA   GLU  32           HA       GLU  32  -3.336  -0.243  -9.135
  226   1HB   GLU  32          HB1       GLU  32  -5.396  -1.395  -8.523
  227   2HB   GLU  32          HB2       GLU  32  -6.175   0.134  -8.120
  228   1HG   GLU  32          HG1       GLU  32  -5.048   0.075 -10.834
  229   2HG   GLU  32          HG2       GLU  32  -6.321  -1.120 -10.576
  230    H    ASP  33           HN       ASP  33  -5.193   2.283  -7.417
  231    HA   ASP  33           HA       ASP  33  -4.990   4.172  -9.641
  232   1HB   ASP  33          HB2       ASP  33  -6.669   3.819  -7.551
  233   2HB   ASP  33          HB1       ASP  33  -5.596   5.028  -6.846
  234    H    ILE  34           HN       ILE  34  -2.671   3.063  -7.532
  235    HA   ILE  34           HA       ILE  34  -1.361   5.730  -7.216
  236    HB   ILE  34           HB       ILE  34  -0.988   3.002  -5.927
  237   1HG1  ILE  34          HG12      ILE  34  -1.791   5.620  -4.651
  238   2HG1  ILE  34          HG11      ILE  34  -2.977   4.498  -5.317
  239   1HG2  ILE  34          HG21      ILE  34   0.721   3.976  -4.541
  240   2HG2  ILE  34          HG22      ILE  34   0.433   5.580  -5.217
  241   3HG2  ILE  34          HG23      ILE  34   1.159   4.319  -6.215
  242   1HD1  ILE  34          HD11      ILE  34  -0.900   3.431  -3.439
  243   2HD1  ILE  34          HD12      ILE  34  -2.555   2.883  -3.705
  244   3HD1  ILE  34          HD13      ILE  34  -2.251   4.345  -2.767
  245    HA   PRO  35           HA       PRO  35   0.905   3.807 -10.724
  246   1HB   PRO  35          HB1       PRO  35   1.658   6.238 -11.814
  247   2HB   PRO  35          HB2       PRO  35   0.149   5.399 -12.215
  248   1HG   PRO  35          HG1       PRO  35   0.622   7.688 -10.379
  249   2HG   PRO  35          HG2       PRO  35  -0.753   7.358 -11.441
  250   1HD   PRO  35          HD2       PRO  35  -0.794   6.956  -8.743
  251   2HD   PRO  35          HD1       PRO  35  -1.792   6.036  -9.889
  252    H    ASP  36           HN       ASP  36   3.256   4.835 -11.557
  253    HA   ASP  36           HA       ASP  36   5.074   4.389  -9.404
  254   1HB   ASP  36          HB1       ASP  36   5.096   5.264 -12.236
  255   2HB   ASP  36          HB2       ASP  36   6.498   5.777 -11.295
  256    H    ASP  37           HN       ASP  37   4.741   5.797  -7.641
  257    HA   ASP  37           HA       ASP  37   5.941   8.417  -7.781
  258   1HB   ASP  37          HB2       ASP  37   3.368   8.268  -8.792
  259   2HB   ASP  37          HB1       ASP  37   3.086   8.770  -7.126
  260    H    TRP  38           HN       TRP  38   3.670   6.273  -6.090
  261    HA   TRP  38           HA       TRP  38   4.307   7.495  -3.476
  262   1HB   TRP  38          HB1       TRP  38   2.016   6.800  -4.069
  263   2HB   TRP  38          HB2       TRP  38   2.575   5.152  -4.350
  264    HD1  TRP  38           HD1      TRP  38   2.098   7.708  -1.531
  265    HE1  TRP  38           HE1      TRP  38   1.964   6.441   0.710
  266    HE3  TRP  38           HE3      TRP  38   3.158   2.976  -3.128
  267    HZ2  TRP  38           HZ2      TRP  38   2.267   3.772   1.695
  268    HZ3  TRP  38           HZ3      TRP  38   3.229   1.094  -1.519
  269    HH2  TRP  38           HH2      TRP  38   2.785   1.484   0.887
  270    H    CYS  39           HN       CYS  39   5.575   6.487  -1.899
  271    HA   CYS  39           HA       CYS  39   6.766   3.825  -2.585
  272   1HB   CYS  39          HB1       CYS  39   8.171   6.307  -1.523
  273   2HB   CYS  39          HB2       CYS  39   8.943   4.758  -1.858
  274    HG   CYS  39           HG       CYS  39   8.909   5.245  -4.306
  275    H    CYS  40           HN       CYS  40   8.205   3.265  -0.406
  276    HA   CYS  40           HA       CYS  40   6.192   3.048   1.719
  277   1HB   CYS  40          HB1       CYS  40   8.292   1.531   0.737
  278   2HB   CYS  40          HB2       CYS  40   8.953   2.165   2.244
  279    HA   PRO  41           HA       PRO  41   7.769   6.389   4.113
  280   1HB   PRO  41          HB1       PRO  41   7.037   5.184   6.636
  281   2HB   PRO  41          HB2       PRO  41   6.154   6.418   5.723
  282   1HG   PRO  41          HG1       PRO  41   5.322   3.813   6.124
  283   2HG   PRO  41          HG2       PRO  41   4.721   4.903   4.870
  284   1HD   PRO  41          HD1       PRO  41   6.646   2.654   4.658
  285   2HD   PRO  41          HD2       PRO  41   5.486   3.278   3.466
  286    H    ASP  42           HN       ASP  42   9.111   3.275   4.351
  287    HA   ASP  42           HA       ASP  42  11.438   4.381   5.850
  288   1HB   ASP  42          HB2       ASP  42  11.390   2.323   7.284
  289   2HB   ASP  42          HB1       ASP  42   9.953   3.322   7.493
  290    H    CYS  43           HN       CYS  43  10.691   3.286   3.019
  291    HA   CYS  43           HA       CYS  43  13.141   1.601   2.775
  292   1HB   CYS  43          HB2       CYS  43  10.370   0.949   1.715
  293   2HB   CYS  43          HB1       CYS  43  11.823   0.009   1.381
  294    H    GLY  44           HN       GLY  44  10.471   3.143   0.948
  295   1HA   GLY  44          HA1       GLY  44  10.616   4.624  -0.885
  296   2HA   GLY  44          HA2       GLY  44  12.370   4.611  -0.706
  297    H    ALA  45           HN       ALA  45  10.404   1.701  -1.046
  298    HA   ALA  45           HA       ALA  45  11.886   1.092  -3.565
  299   1HB   ALA  45          HB1       ALA  45  11.773  -1.099  -2.841
  300   2HB   ALA  45          HB2       ALA  45  10.154  -0.899  -2.173
  301   3HB   ALA  45          HB3       ALA  45  11.557  -0.319  -1.275
  302    H    THR  46           HN       THR  46  10.287  -0.647  -4.837
  303    HA   THR  46           HA       THR  46   7.965   1.023  -5.653
  304    HB   THR  46           HB       THR  46   8.082  -1.009  -7.438
  305    HG1  THR  46           HG1      THR  46   9.754  -2.054  -6.317
  306   1HG2  THR  46          HG21      THR  46   8.394   1.461  -7.818
  307   2HG2  THR  46          HG22      THR  46   9.416   0.441  -8.830
  308   3HG2  THR  46          HG23      THR  46  10.099   1.249  -7.420
  309    H    LYS  47           HN       LYS  47   6.194  -0.745  -6.634
  310    HA   LYS  47           HA       LYS  47   4.812  -1.783  -4.367
  311   1HB   LYS  47          HB1       LYS  47   4.643  -2.577  -7.300
  312   2HB   LYS  47          HB2       LYS  47   3.369  -2.781  -6.097
  313   1HG   LYS  47          HG2       LYS  47   3.582  -0.218  -5.746
  314   2HG   LYS  47          HG1       LYS  47   4.439  -0.223  -7.287
  315   1HD   LYS  47          HD2       LYS  47   2.288  -1.747  -7.934
  316   2HD   LYS  47          HD1       LYS  47   1.567  -0.694  -6.717
  317   1HE   LYS  47          HE2       LYS  47   2.808   1.216  -8.062
  318   2HE   LYS  47          HE1       LYS  47   2.761   0.029  -9.380
  319   1HZ   LYS  47          HZ1       LYS  47   0.345  -0.301  -8.683
  320   2HZ   LYS  47          HZ2       LYS  47   0.712   1.132  -9.516
  321   3HZ   LYS  47          HZ3       LYS  47   0.502   1.160  -7.830
  322    H    GLU  48           HN       GLU  48   7.425  -3.102  -6.240
  323    HA   GLU  48           HA       GLU  48   7.047  -5.879  -6.029
  324   1HB   GLU  48          HB2       GLU  48   9.080  -4.032  -6.672
  325   2HB   GLU  48          HB1       GLU  48   9.775  -5.070  -5.426
  326   1HG   GLU  48          HG2       GLU  48  10.217  -6.125  -7.545
  327   2HG   GLU  48          HG1       GLU  48   8.941  -7.058  -6.761
  328    H    ASP  49           HN       ASP  49   8.325  -3.616  -3.582
  329    HA   ASP  49           HA       ASP  49   8.946  -5.643  -1.610
  330   1HB   ASP  49          HB1       ASP  49   8.335  -2.666  -1.447
  331   2HB   ASP  49          HB2       ASP  49   9.024  -3.613  -0.129
  332    H    TYR  50           HN       TYR  50   6.036  -3.968  -2.579
  333    HA   TYR  50           HA       TYR  50   4.563  -4.759  -0.139
  334   1HB   TYR  50          HB1       TYR  50   4.247  -2.990  -2.522
  335   2HB   TYR  50          HB2       TYR  50   2.765  -3.610  -1.803
  336    HD1  TYR  50           HD1      TYR  50   5.539  -1.300  -1.448
  337    HD2  TYR  50           HD2      TYR  50   2.306  -3.202   0.646
  338    HE1  TYR  50           HE1      TYR  50   5.718   0.387   0.360
  339    HE2  TYR  50           HE2      TYR  50   2.485  -1.515   2.454
  340    HH   TYR  50           HH       TYR  50   4.544   1.299   2.143
  341    H    VAL  51           HN       VAL  51   3.103  -6.448  -0.095
  342    HA   VAL  51           HA       VAL  51   2.520  -7.862  -2.660
  343    HB   VAL  51           HB       VAL  51   4.259  -9.015  -1.364
  344   1HG1  VAL  51          HG11      VAL  51   3.620  -8.088   0.805
  345   2HG1  VAL  51          HG12      VAL  51   3.681  -9.849   0.884
  346   3HG1  VAL  51          HG13      VAL  51   2.129  -9.022   0.770
  347   1HG2  VAL  51          HG21      VAL  51   2.448 -10.299  -2.611
  348   2HG2  VAL  51          HG22      VAL  51   1.626 -10.485  -1.061
  349   3HG2  VAL  51          HG23      VAL  51   3.226 -11.187  -1.301
  350    H    LEU  52           HN       LEU  52   0.487  -9.206  -2.509
  351    HA   LEU  52           HA       LEU  52  -1.664  -7.701  -1.307
  352   1HB   LEU  52          HB2       LEU  52  -1.401  -9.393  -3.370
  353   2HB   LEU  52          HB1       LEU  52  -1.927 -10.559  -2.164
  354    HG   LEU  52           HG       LEU  52  -3.868  -9.647  -3.366
  355   1HD1  LEU  52          HD11      LEU  52  -3.847  -8.329  -0.655
  356   2HD1  LEU  52          HD12      LEU  52  -3.851 -10.085  -0.815
  357   3HD1  LEU  52          HD13      LEU  52  -5.184  -9.137  -1.474
  358   1HD2  LEU  52          HD21      LEU  52  -3.896  -6.972  -2.352
  359   2HD2  LEU  52          HD22      LEU  52  -3.868  -7.500  -4.035
  360   3HD2  LEU  52          HD23      LEU  52  -2.354  -7.232  -3.170
  361    H    TYR  53           HN       TYR  53  -1.824  -7.680   0.913
  362    HA   TYR  53           HA       TYR  53  -0.864  -9.707   2.678
  363   1HB   TYR  53          HB2       TYR  53  -1.505  -7.226   3.052
  364   2HB   TYR  53          HB1       TYR  53  -3.159  -7.811   3.224
  365    HD1  TYR  53           HD1      TYR  53  -3.808  -8.009   5.457
  366    HD2  TYR  53           HD2      TYR  53   0.215  -9.020   4.345
  367    HE1  TYR  53           HE1      TYR  53  -3.324  -8.663   7.800
  368    HE2  TYR  53           HE2      TYR  53   0.700  -9.672   6.686
  369    HH   TYR  53           HH       TYR  53  -1.470 -10.397   8.878
  370    H    GLU  54           HN       GLU  54  -1.875 -11.490   3.596
  371    HA   GLU  54           HA       GLU  54  -3.423 -13.266   3.751
  372   1HB   GLU  54          HB1       GLU  54  -4.634 -10.720   4.253
  373   2HB   GLU  54          HB2       GLU  54  -5.816 -11.714   3.402
  374   1HG   GLU  54          HG2       GLU  54  -5.013 -13.569   5.110
  375   2HG   GLU  54          HG1       GLU  54  -4.513 -12.173   6.065
  376    H    GLU  55           HN       GLU  55  -2.910 -14.238   1.681
  377    HA   GLU  55           HA       GLU  55  -4.533 -13.407  -0.664
  378   1HB   GLU  55          HB2       GLU  55  -2.056 -13.866  -0.761
  379   2HB   GLU  55          HB1       GLU  55  -2.394 -15.543  -0.337
  380   1HG   GLU  55          HG1       GLU  55  -3.631 -15.896  -2.362
  381   2HG   GLU  55          HG2       GLU  55  -3.652 -14.170  -2.725
  382    H    LYS  56           HN       LYS  56  -6.275 -14.388   1.157
  383    HA   LYS  56           HA       LYS  56  -7.876 -16.083   1.545
  384   1HB   LYS  56          HB2       LYS  56  -7.541 -15.637  -1.132
  385   2HB   LYS  56          HB1       LYS  56  -7.196 -17.365  -1.047
  386   1HG   LYS  56          HG2       LYS  56  -9.331 -17.819  -0.028
  387   2HG   LYS  56          HG1       LYS  56  -9.650 -16.099   0.200
  388   1HD   LYS  56          HD2       LYS  56 -10.857 -16.468  -1.742
  389   2HD   LYS  56          HD1       LYS  56  -9.293 -16.046  -2.439
  390   1HE   LYS  56          HE1       LYS  56  -8.725 -18.498  -2.505
  391   2HE   LYS  56          HE2       LYS  56 -10.385 -18.846  -1.979
  392   1HZ   LYS  56          HZ1       LYS  56 -10.031 -18.769  -4.461
  393   2HZ   LYS  56          HZ2       LYS  56  -9.747 -17.102  -4.299
  394   3HZ   LYS  56          HZ3       LYS  56 -11.257 -17.751  -3.873
  Start of MODEL   15
    1    H    ALA   1           HT1      ALA   1 -15.715  -1.512   0.140
    2    HA   ALA   1           HA       ALA   1 -14.446  -2.970   1.446
    3   1HB   ALA   1          HB1       ALA   1 -13.339  -4.842  -0.259
    4   2HB   ALA   1          HB2       ALA   1 -14.935  -4.600  -0.968
    5   3HB   ALA   1          HB3       ALA   1 -14.786  -5.110   0.713
    6    H    TYR   2           HN       TYR   2 -11.987  -3.305   1.369
    7    HA   TYR   2           HA       TYR   2 -10.672  -1.658  -0.751
    8   1HB   TYR   2          HB2       TYR   2 -10.659  -1.310   2.259
    9   2HB   TYR   2          HB1       TYR   2  -9.392  -0.619   1.247
   10    HD1  TYR   2           HD1      TYR   2 -10.665   0.348  -1.111
   11    HD2  TYR   2           HD2      TYR   2 -12.178   0.335   2.908
   12    HE1  TYR   2           HE1      TYR   2 -12.151   2.257  -1.664
   13    HE2  TYR   2           HE2      TYR   2 -13.664   2.242   2.356
   14    HH   TYR   2           HH       TYR   2 -14.085   3.354  -0.919
   15    H    LEU   3           HN       LEU   3  -8.735  -2.541  -1.389
   16    HA   LEU   3           HA       LEU   3  -7.895  -5.096  -0.223
   17   1HB   LEU   3          HB1       LEU   3  -7.526  -3.489  -2.638
   18   2HB   LEU   3          HB2       LEU   3  -6.011  -4.211  -2.102
   19    HG   LEU   3           HG       LEU   3  -7.189  -6.422  -1.948
   20   1HD1  LEU   3          HD11      LEU   3  -9.425  -6.574  -2.207
   21   2HD1  LEU   3          HD12      LEU   3  -9.372  -5.657  -3.713
   22   3HD1  LEU   3          HD13      LEU   3  -9.470  -4.811  -2.168
   23   1HD2  LEU   3          HD21      LEU   3  -6.452  -4.935  -4.319
   24   2HD2  LEU   3          HD22      LEU   3  -7.746  -6.076  -4.692
   25   3HD2  LEU   3          HD23      LEU   3  -6.240  -6.653  -3.978
   26    H    LYS   4           HN       LYS   4  -5.545  -5.440   0.331
   27    HA   LYS   4           HA       LYS   4  -4.255  -3.004   1.501
   28   1HB   LYS   4          HB1       LYS   4  -4.545  -5.734   2.791
   29   2HB   LYS   4          HB2       LYS   4  -3.826  -4.308   3.532
   30   1HG   LYS   4          HG1       LYS   4  -5.962  -3.145   3.481
   31   2HG   LYS   4          HG2       LYS   4  -6.703  -4.470   2.585
   32   1HD   LYS   4          HD2       LYS   4  -6.467  -5.969   4.456
   33   2HD   LYS   4          HD1       LYS   4  -5.466  -4.808   5.331
   34   1HE   LYS   4          HE1       LYS   4  -8.091  -3.733   4.507
   35   2HE   LYS   4          HE2       LYS   4  -8.182  -5.060   5.680
   36   1HZ   LYS   4          HZ1       LYS   4  -6.701  -3.950   7.124
   37   2HZ   LYS   4          HZ2       LYS   4  -7.817  -2.764   6.640
   38   3HZ   LYS   4          HZ3       LYS   4  -6.268  -2.807   5.945
   39    H    TRP   5           HN       TRP   5  -1.946  -3.141   1.603
   40    HA   TRP   5           HA       TRP   5  -0.720  -5.485   0.176
   41   1HB   TRP   5          HB2       TRP   5  -0.018  -2.548  -0.193
   42   2HB   TRP   5          HB1       TRP   5   0.621  -3.904  -1.118
   43    HD1  TRP   5           HD1      TRP   5  -2.845  -2.372  -0.354
   44    HE1  TRP   5           HE1      TRP   5  -4.263  -2.482  -2.479
   45    HE3  TRP   5           HE3      TRP   5   0.431  -4.774  -3.435
   46    HZ2  TRP   5           HZ2      TRP   5  -4.051  -3.487  -5.164
   47    HZ3  TRP   5           HZ3      TRP   5  -0.205  -5.302  -5.773
   48    HH2  TRP   5           HH2      TRP   5  -2.438  -4.663  -6.640
   49    H    ILE   6           HN       ILE   6   0.946  -6.318   1.394
   50    HA   ILE   6           HA       ILE   6   2.029  -4.623   3.579
   51    HB   ILE   6           HB       ILE   6   0.936  -6.874   3.915
   52   1HG1  ILE   6          HG11      ILE   6   2.408  -5.813   5.595
   53   2HG1  ILE   6          HG12      ILE   6   2.500  -7.569   5.638
   54   1HG2  ILE   6          HG21      ILE   6   1.879  -8.837   3.154
   55   2HG2  ILE   6          HG22      ILE   6   3.508  -8.164   3.118
   56   3HG2  ILE   6          HG23      ILE   6   2.359  -7.758   1.845
   57   1HD1  ILE   6          HD11      ILE   6   4.739  -7.207   5.584
   58   2HD1  ILE   6          HD12      ILE   6   4.562  -5.592   4.899
   59   3HD1  ILE   6          HD13      ILE   6   4.479  -7.011   3.855
   60    H    CYS   7           HN       CYS   7   4.131  -3.964   3.585
   61    HA   CYS   7           HA       CYS   7   5.808  -4.446   1.230
   62   1HB   CYS   7          HB2       CYS   7   5.536  -2.298   2.599
   63   2HB   CYS   7          HB1       CYS   7   6.478  -3.090   3.862
   64    H    ILE   8           HN       ILE   8   6.391  -6.670   1.288
   65    HA   ILE   8           HA       ILE   8   7.134  -8.191   3.532
   66    HB   ILE   8           HB       ILE   8   6.696  -9.063   1.283
   67   1HG1  ILE   8          HG12      ILE   8   9.514  -9.843   1.573
   68   2HG1  ILE   8          HG11      ILE   8   8.548 -10.021   3.033
   69   1HG2  ILE   8          HG21      ILE   8   8.338  -6.998   0.512
   70   2HG2  ILE   8          HG22      ILE   8   7.772  -8.294  -0.542
   71   3HG2  ILE   8          HG23      ILE   8   9.346  -8.418   0.242
   72   1HD1  ILE   8          HD11      ILE   8   7.717 -11.087   0.320
   73   2HD1  ILE   8          HD12      ILE   8   6.945 -11.413   1.872
   74   3HD1  ILE   8          HD13      ILE   8   8.552 -12.057   1.534
   75    H    THR   9           HN       THR   9   8.882  -5.664   1.931
   76    HA   THR   9           HA       THR   9  11.560  -6.378   2.593
   77    HB   THR   9           HB       THR   9  10.161  -3.696   2.297
   78    HG1  THR   9           HG1      THR   9  11.678  -5.189   0.431
   79   1HG2  THR   9          HG21      THR   9  12.168  -2.929   3.055
   80   2HG2  THR   9          HG22      THR   9  12.717  -3.326   1.425
   81   3HG2  THR   9          HG23      THR   9  12.981  -4.464   2.746
   82    H    CYS  10           HN       CYS  10   8.990  -4.925   4.541
   83    HA   CYS  10           HA       CYS  10  10.894  -4.923   6.856
   84   1HB   CYS  10          HB1       CYS  10   9.793  -2.784   7.546
   85   2HB   CYS  10          HB2       CYS  10  10.600  -2.652   5.985
   86    H    GLY  11           HN       GLY  11   7.492  -5.128   5.787
   87   1HA   GLY  11          HA2       GLY  11   6.110  -6.886   6.864
   88   2HA   GLY  11          HA1       GLY  11   6.920  -6.501   8.379
   89    H    HIS  12           HN       HIS  12   5.711  -4.119   6.048
   90    HA   HIS  12           HA       HIS  12   3.827  -3.161   8.176
   91   1HB   HIS  12          HB1       HIS  12   5.878  -1.821   7.206
   92   2HB   HIS  12          HB2       HIS  12   4.811  -1.543   5.830
   93    HD1  HIS  12           HD1      HIS  12   3.581   0.601   6.063
   94    HD2  HIS  12           HD2      HIS  12   4.203  -1.201   9.772
   95    HE1  HIS  12           HE1      HIS  12   2.515   2.120   7.788
   96    H    ILE  13           HN       ILE  13   1.670  -3.272   7.695
   97    HA   ILE  13           HA       ILE  13   0.853  -4.140   4.991
   98    HB   ILE  13           HB       ILE  13  -0.635  -3.710   7.606
   99   1HG1  ILE  13          HG12      ILE  13  -0.121  -6.402   6.438
  100   2HG1  ILE  13          HG11      ILE  13   1.258  -5.569   7.157
  101   1HG2  ILE  13          HG21      ILE  13  -2.503  -3.942   6.365
  102   2HG2  ILE  13          HG22      ILE  13  -1.968  -5.577   5.973
  103   3HG2  ILE  13          HG23      ILE  13  -1.558  -4.233   4.905
  104   1HD1  ILE  13          HD11      ILE  13  -0.999  -5.244   8.893
  105   2HD1  ILE  13          HD12      ILE  13   0.514  -6.092   9.216
  106   3HD1  ILE  13          HD13      ILE  13  -0.845  -6.956   8.496
  107    H    TYR  14           HN       TYR  14  -0.543  -2.967   3.660
  108    HA   TYR  14           HA       TYR  14  -0.881  -0.068   4.342
  109   1HB   TYR  14          HB1       TYR  14   0.463  -0.539   2.351
  110   2HB   TYR  14          HB2       TYR  14  -0.788  -1.606   1.717
  111    HD1  TYR  14           HD1      TYR  14  -2.632  -0.734   0.456
  112    HD2  TYR  14           HD2      TYR  14  -0.076   1.922   2.677
  113    HE1  TYR  14           HE1      TYR  14  -3.725   1.219  -0.611
  114    HE2  TYR  14           HE2      TYR  14  -1.175   3.868   1.610
  115    HH   TYR  14           HH       TYR  14  -4.065   3.555  -0.262
  116    H    ASP  15           HN       ASP  15  -2.952   0.633   4.675
  117    HA   ASP  15           HA       ASP  15  -5.194  -1.220   3.995
  118   1HB   ASP  15          HB2       ASP  15  -4.722  -0.427   6.366
  119   2HB   ASP  15          HB1       ASP  15  -5.129   1.202   5.828
  120    H    GLU  16           HN       GLU  16  -5.927  -0.664   1.959
  121    HA   GLU  16           HA       GLU  16  -5.753   1.765   0.600
  122   1HB   GLU  16          HB2       GLU  16  -7.547  -0.619   0.633
  123   2HB   GLU  16          HB1       GLU  16  -8.105   0.773  -0.291
  124   1HG   GLU  16          HG1       GLU  16  -5.764   0.797  -1.353
  125   2HG   GLU  16          HG2       GLU  16  -5.555  -0.807  -0.654
  126    H    ALA  17           HN       ALA  17  -7.896   0.920   3.243
  127    HA   ALA  17           HA       ALA  17  -9.663   3.240   2.793
  128   1HB   ALA  17          HB1       ALA  17  -9.944   1.957   5.357
  129   2HB   ALA  17          HB2       ALA  17  -9.716   0.719   4.122
  130   3HB   ALA  17          HB3       ALA  17 -11.035   1.880   3.975
  131    H    LEU  18           HN       LEU  18  -6.604   3.251   3.704
  132    HA   LEU  18           HA       LEU  18  -6.772   5.685   5.233
  133   1HB   LEU  18          HB1       LEU  18  -7.468   3.582   6.737
  134   2HB   LEU  18          HB2       LEU  18  -5.718   3.412   6.887
  135    HG   LEU  18           HG       LEU  18  -5.746   5.953   7.443
  136   1HD1  LEU  18          HD21      LEU  18  -8.481   5.462   8.516
  137   2HD1  LEU  18          HD22      LEU  18  -8.354   5.805   6.791
  138   3HD1  LEU  18          HD23      LEU  18  -7.742   6.967   7.967
  139   1HD2  LEU  18          HD11      LEU  18  -5.844   5.446   9.747
  140   2HD2  LEU  18          HD12      LEU  18  -5.412   3.907   9.003
  141   3HD2  LEU  18          HD13      LEU  18  -7.074   4.205   9.511
  142    H    GLY  19           HN       GLY  19  -5.271   5.631   3.175
  143   1HA   GLY  19          HA1       GLY  19  -2.740   4.314   3.272
  144   2HA   GLY  19          HA2       GLY  19  -3.100   5.740   2.302
  145    H    ASP  20           HN       ASP  20  -1.234   6.909   2.766
  146    HA   ASP  20           HA       ASP  20  -0.521   7.390   5.612
  147   1HB   ASP  20          HB1       ASP  20   0.764   7.382   2.939
  148   2HB   ASP  20          HB2       ASP  20   1.357   8.626   4.043
  149    H    GLU  21           HN       GLU  21   0.057   9.691   6.179
  150    HA   GLU  21           HA       GLU  21  -1.886  11.582   4.913
  151   1HB   GLU  21          HB1       GLU  21  -0.582  11.310   7.635
  152   2HB   GLU  21          HB2       GLU  21  -1.430  12.783   7.163
  153   1HG   GLU  21          HG2       GLU  21  -3.451  11.399   6.651
  154   2HG   GLU  21          HG1       GLU  21  -2.595   9.984   7.267
  155    H    ALA  22           HN       ALA  22   1.501  10.994   5.442
  156    HA   ALA  22           HA       ALA  22   2.358  13.766   5.072
  157   1HB   ALA  22          HB1       ALA  22   4.601  12.457   4.807
  158   2HB   ALA  22          HB2       ALA  22   3.641  11.032   5.209
  159   3HB   ALA  22          HB3       ALA  22   3.770  12.361   6.360
  160    H    GLU  23           HN       GLU  23   2.031  10.879   3.026
  161    HA   GLU  23           HA       GLU  23   3.265  12.166   0.700
  162   1HB   GLU  23          HB1       GLU  23   3.307   9.708   1.269
  163   2HB   GLU  23          HB2       GLU  23   1.578   9.650   0.929
  164   1HG   GLU  23          HG1       GLU  23   2.263   9.148  -1.189
  165   2HG   GLU  23          HG2       GLU  23   2.505  10.891  -1.319
  166    H    GLY  24           HN       GLY  24   0.133  12.180   2.131
  167   1HA   GLY  24          HA2       GLY  24  -1.676  13.562   1.358
  168   2HA   GLY  24          HA1       GLY  24  -0.937  13.588  -0.244
  169    H    PHE  25           HN       PHE  25  -1.287  10.596   1.537
  170    HA   PHE  25           HA       PHE  25  -2.889   9.447  -0.633
  171   1HB   PHE  25          HB1       PHE  25  -1.146   8.671   1.546
  172   2HB   PHE  25          HB2       PHE  25  -2.630   7.737   1.629
  173    HD1  PHE  25           HD1      PHE  25  -1.207   9.046  -1.541
  174    HD2  PHE  25           HD2      PHE  25  -1.631   5.647   1.036
  175    HE1  PHE  25           HE1      PHE  25  -0.357   7.572  -3.348
  176    HE2  PHE  25           HE2      PHE  25  -0.788   4.166  -0.766
  177    HZ   PHE  25           HZ       PHE  25  -0.149   5.131  -2.959
  178    H    THR  26           HN       THR  26  -4.849  10.821  -0.283
  179    HA   THR  26           HA       THR  26  -6.348  11.095   2.045
  180    HB   THR  26           HB       THR  26  -6.738  12.076  -0.220
  181    HG1  THR  26           HG1      THR  26  -8.572  12.444   0.708
  182   1HG2  THR  26          HG21      THR  26  -8.247   9.600  -0.967
  183   2HG2  THR  26          HG22      THR  26  -6.503   9.645  -1.223
  184   3HG2  THR  26          HG23      THR  26  -7.541  10.836  -2.009
  185    HA   PRO  27           HA       PRO  27  -7.500   7.044   3.359
  186   1HB   PRO  27          HB1       PRO  27 -10.165   8.255   3.949
  187   2HB   PRO  27          HB2       PRO  27  -9.072   7.368   5.026
  188   1HG   PRO  27          HG2       PRO  27  -9.367  10.028   5.167
  189   2HG   PRO  27          HG1       PRO  27  -7.827   9.229   5.508
  190   1HD   PRO  27          HD2       PRO  27  -8.651  10.819   3.141
  191   2HD   PRO  27          HD1       PRO  27  -7.043  10.613   3.866
  192    H    GLY  28           HN       GLY  28  -7.830   5.676   1.616
  193   1HA   GLY  28          HA2       GLY  28  -9.913   4.521   0.607
  194   2HA   GLY  28          HA1       GLY  28 -10.273   6.117  -0.046
  195    H    THR  29           HN       THR  29  -7.115   6.303  -0.269
  196    HA   THR  29           HA       THR  29  -6.878   5.964  -3.036
  197    HB   THR  29           HB       THR  29  -4.592   5.331  -1.183
  198    HG1  THR  29           HG1      THR  29  -5.600   7.941  -1.513
  199   1HG2  THR  29          HG21      THR  29  -4.718   5.877  -3.838
  200   2HG2  THR  29          HG22      THR  29  -3.318   6.265  -2.837
  201   3HG2  THR  29          HG23      THR  29  -4.516   7.508  -3.198
  202    H    ARG  30           HN       ARG  30  -6.768   4.190  -4.345
  203    HA   ARG  30           HA       ARG  30  -6.358   1.513  -3.064
  204   1HB   ARG  30          HB2       ARG  30  -7.798   2.521  -5.532
  205   2HB   ARG  30          HB1       ARG  30  -7.484   0.804  -5.280
  206   1HG   ARG  30          HG1       ARG  30  -8.637   0.992  -3.052
  207   2HG   ARG  30          HG2       ARG  30  -9.074   2.648  -3.473
  208   1HD   ARG  30          HD2       ARG  30 -10.973   1.510  -4.223
  209   2HD   ARG  30          HD1       ARG  30  -9.980   1.457  -5.692
  210    HE   ARG  30           HE       ARG  30  -9.183  -0.749  -4.142
  211   1HH1  ARG  30          HH11      ARG  30 -12.099   0.415  -5.644
  212   2HH1  ARG  30          HH12      ARG  30 -12.738  -1.173  -5.891
  213   1HH2  ARG  30          HH22      ARG  30 -10.034  -2.802  -4.473
  214   2HH2  ARG  30          HH21      ARG  30 -11.579  -2.981  -5.233
  215    H    PHE  31           HN       PHE  31  -4.575   0.325  -3.694
  216    HA   PHE  31           HA       PHE  31  -2.325   1.355  -4.956
  217   1HB   PHE  31          HB1       PHE  31  -3.343  -1.157  -4.068
  218   2HB   PHE  31          HB2       PHE  31  -2.648  -1.413  -5.669
  219    HD1  PHE  31           HD1      PHE  31  -0.542  -2.394  -5.359
  220    HD2  PHE  31           HD2      PHE  31  -1.689   0.960  -2.932
  221    HE1  PHE  31           HE1      PHE  31   1.737  -2.317  -4.388
  222    HE2  PHE  31           HE2      PHE  31   0.590   1.036  -1.962
  223    HZ   PHE  31           HZ       PHE  31   2.306  -0.603  -2.690
  224    H    GLU  32           HN       GLU  32  -4.843  -0.634  -6.572
  225    HA   GLU  32           HA       GLU  32  -3.837  -0.607  -9.193
  226   1HB   GLU  32          HB1       GLU  32  -5.783  -1.871  -8.402
  227   2HB   GLU  32          HB2       GLU  32  -6.688  -0.376  -8.171
  228   1HG   GLU  32          HG2       GLU  32  -6.895   0.003 -10.472
  229   2HG   GLU  32          HG1       GLU  32  -5.501  -1.005 -10.862
  230    H    ASP  33           HN       ASP  33  -5.679   1.885  -7.472
  231    HA   ASP  33           HA       ASP  33  -5.749   3.656  -9.825
  232   1HB   ASP  33          HB1       ASP  33  -7.592   3.473  -8.153
  233   2HB   ASP  33          HB2       ASP  33  -6.496   4.065  -6.905
  234    H    ILE  34           HN       ILE  34  -3.251   2.763  -7.921
  235    HA   ILE  34           HA       ILE  34  -2.172   5.549  -7.650
  236    HB   ILE  34           HB       ILE  34  -1.607   2.908  -6.260
  237   1HG1  ILE  34          HG12      ILE  34  -2.422   5.569  -5.087
  238   2HG1  ILE  34          HG11      ILE  34  -3.603   4.377  -5.625
  239   1HG2  ILE  34          HG21      ILE  34   0.512   3.672  -5.996
  240   2HG2  ILE  34          HG22      ILE  34  -0.198   4.839  -4.880
  241   3HG2  ILE  34          HG23      ILE  34   0.090   5.290  -6.561
  242   1HD1  ILE  34          HD11      ILE  34  -1.513   3.196  -3.955
  243   2HD1  ILE  34          HD12      ILE  34  -3.265   3.087  -3.794
  244   3HD1  ILE  34          HD13      ILE  34  -2.403   4.466  -3.114
  245    HA   PRO  35           HA       PRO  35   0.193   3.399 -11.050
  246   1HB   PRO  35          HB2       PRO  35   0.048   5.485 -12.840
  247   2HB   PRO  35          HB1       PRO  35  -1.171   4.201 -12.750
  248   1HG   PRO  35          HG1       PRO  35  -1.240   6.968 -11.652
  249   2HG   PRO  35          HG2       PRO  35  -2.534   6.019 -12.397
  250   1HD   PRO  35          HD1       PRO  35  -2.280   6.375  -9.703
  251   2HD   PRO  35          HD2       PRO  35  -3.046   4.952 -10.438
  252    H    ASP  36           HN       ASP  36   0.297   6.499  -9.454
  253    HA   ASP  36           HA       ASP  36   2.728   7.592 -10.372
  254   1HB   ASP  36          HB1       ASP  36   1.297   7.533  -7.702
  255   2HB   ASP  36          HB2       ASP  36   2.759   8.491  -7.943
  256    H    ASP  37           HN       ASP  37   4.605   7.724  -8.453
  257    HA   ASP  37           HA       ASP  37   5.601   4.919  -8.270
  258   1HB   ASP  37          HB2       ASP  37   6.692   7.618  -8.703
  259   2HB   ASP  37          HB1       ASP  37   7.638   6.668  -7.558
  260    H    TRP  38           HN       TRP  38   3.624   5.641  -6.364
  261    HA   TRP  38           HA       TRP  38   4.477   6.725  -3.915
  262   1HB   TRP  38          HB1       TRP  38   2.176   6.056  -4.456
  263   2HB   TRP  38          HB2       TRP  38   2.662   4.363  -4.534
  264    HD1  TRP  38           HD1      TRP  38   2.300   7.248  -2.020
  265    HE1  TRP  38           HE1      TRP  38   2.021   6.241   0.338
  266    HE3  TRP  38           HE3      TRP  38   3.021   2.307  -3.082
  267    HZ2  TRP  38           HZ2      TRP  38   2.095   3.674   1.604
  268    HZ3  TRP  38           HZ3      TRP  38   2.912   0.604  -1.286
  269    HH2  TRP  38           HH2      TRP  38   2.450   1.281   1.055
  270    H    CYS  39           HN       CYS  39   5.596   5.864  -2.119
  271    HA   CYS  39           HA       CYS  39   6.805   3.142  -2.481
  272   1HB   CYS  39          HB1       CYS  39   8.060   5.767  -1.604
  273   2HB   CYS  39          HB2       CYS  39   8.878   4.210  -1.494
  274    HG   CYS  39           HG       CYS  39   8.973   5.795  -3.914
  275    H    CYS  40           HN       CYS  40   8.164   2.963  -0.103
  276    HA   CYS  40           HA       CYS  40   5.966   2.717   1.847
  277   1HB   CYS  40          HB1       CYS  40   8.196   1.259   1.166
  278   2HB   CYS  40          HB2       CYS  40   8.760   2.099   2.609
  279    HA   PRO  41           HA       PRO  41   7.122   6.461   3.898
  280   1HB   PRO  41          HB1       PRO  41   5.741   6.097   6.237
  281   2HB   PRO  41          HB2       PRO  41   4.946   6.513   4.709
  282   1HG   PRO  41          HG2       PRO  41   5.151   3.892   6.094
  283   2HG   PRO  41          HG1       PRO  41   3.818   4.568   5.149
  284   1HD   PRO  41          HD2       PRO  41   5.612   2.683   4.227
  285   2HD   PRO  41          HD1       PRO  41   4.649   3.758   3.192
  286    H    ASP  42           HN       ASP  42   7.831   3.306   5.162
  287    HA   ASP  42           HA       ASP  42   9.620   4.485   7.250
  288   1HB   ASP  42          HB1       ASP  42   7.793   2.283   7.104
  289   2HB   ASP  42          HB2       ASP  42   9.410   1.627   7.359
  290    H    CYS  43           HN       CYS  43   9.582   2.493   4.340
  291    HA   CYS  43           HA       CYS  43  12.500   1.952   4.636
  292   1HB   CYS  43          HB1       CYS  43  10.285   0.923   2.834
  293   2HB   CYS  43          HB2       CYS  43  11.973   0.457   2.635
  294    H    GLY  44           HN       GLY  44  10.456   2.613   1.787
  295   1HA   GLY  44          HA2       GLY  44  10.765   4.800   0.584
  296   2HA   GLY  44          HA1       GLY  44  12.482   4.648   0.954
  297    H    ALA  45           HN       ALA  45  10.542   1.880   0.001
  298    HA   ALA  45           HA       ALA  45  12.219   1.650  -2.458
  299   1HB   ALA  45          HB1       ALA  45  10.649  -0.668  -1.976
  300   2HB   ALA  45          HB2       ALA  45  11.193  -0.104  -0.396
  301   3HB   ALA  45          HB3       ALA  45  12.372  -0.467  -1.658
  302    H    THR  46           HN       THR  46  10.752   0.170  -4.131
  303    HA   THR  46           HA       THR  46   8.460   1.946  -4.803
  304    HB   THR  46           HB       THR  46   8.726   0.913  -7.020
  305    HG1  THR  46           HG1      THR  46   9.499  -1.015  -7.109
  306   1HG2  THR  46          HG21      THR  46  10.395   2.674  -6.073
  307   2HG2  THR  46          HG22      THR  46  10.830   1.818  -7.551
  308   3HG2  THR  46          HG23      THR  46  11.533   1.327  -6.010
  309    H    LYS  47           HN       LYS  47   6.821   0.353  -6.232
  310    HA   LYS  47           HA       LYS  47   5.279  -1.080  -4.302
  311   1HB   LYS  47          HB2       LYS  47   4.655  -0.038  -6.575
  312   2HB   LYS  47          HB1       LYS  47   5.308  -1.503  -7.307
  313   1HG   LYS  47          HG1       LYS  47   3.746  -2.760  -5.654
  314   2HG   LYS  47          HG2       LYS  47   2.926  -1.208  -5.484
  315   1HD   LYS  47          HD1       LYS  47   3.233  -1.458  -8.229
  316   2HD   LYS  47          HD2       LYS  47   2.875  -3.107  -7.716
  317   1HE   LYS  47          HE1       LYS  47   0.725  -2.577  -7.120
  318   2HE   LYS  47          HE2       LYS  47   1.199  -1.001  -6.459
  319   1HZ   LYS  47          HZ1       LYS  47   1.060  -1.714  -9.346
  320   2HZ   LYS  47          HZ2       LYS  47   1.555  -0.212  -8.728
  321   3HZ   LYS  47          HZ3       LYS  47  -0.049  -0.730  -8.520
  322    H    GLU  48           HN       GLU  48   8.091  -2.018  -6.100
  323    HA   GLU  48           HA       GLU  48   7.696  -4.802  -6.433
  324   1HB   GLU  48          HB2       GLU  48   9.873  -2.837  -6.325
  325   2HB   GLU  48          HB1       GLU  48  10.383  -4.439  -5.789
  326   1HG   GLU  48          HG1       GLU  48   9.585  -5.442  -7.852
  327   2HG   GLU  48          HG2       GLU  48   8.881  -3.909  -8.370
  328    H    ASP  49           HN       ASP  49   8.455  -2.937  -3.546
  329    HA   ASP  49           HA       ASP  49   9.139  -5.328  -1.963
  330   1HB   ASP  49          HB1       ASP  49   8.774  -2.368  -1.402
  331   2HB   ASP  49          HB2       ASP  49   9.227  -3.529  -0.154
  332    H    TYR  50           HN       TYR  50   6.286  -3.546  -2.792
  333    HA   TYR  50           HA       TYR  50   4.790  -4.474  -0.410
  334   1HB   TYR  50          HB1       TYR  50   4.579  -2.458  -2.555
  335   2HB   TYR  50          HB2       TYR  50   3.041  -3.200  -2.118
  336    HD1  TYR  50           HD1      TYR  50   5.499  -0.762  -1.206
  337    HD2  TYR  50           HD2      TYR  50   2.476  -3.351   0.400
  338    HE1  TYR  50           HE1      TYR  50   5.412   0.619   0.853
  339    HE2  TYR  50           HE2      TYR  50   2.386  -1.974   2.460
  340    HH   TYR  50           HH       TYR  50   2.922   0.359   3.135
  341    H    VAL  51           HN       VAL  51   3.301  -6.124  -0.472
  342    HA   VAL  51           HA       VAL  51   2.657  -7.335  -3.137
  343    HB   VAL  51           HB       VAL  51   3.437  -8.706  -0.534
  344   1HG1  VAL  51          HG21      VAL  51   3.435 -10.751  -2.088
  345   2HG1  VAL  51          HG22      VAL  51   2.507  -9.758  -3.213
  346   3HG1  VAL  51          HG23      VAL  51   1.856 -10.125  -1.615
  347   1HG2  VAL  51          HG11      VAL  51   5.353  -7.717  -1.691
  348   2HG2  VAL  51          HG12      VAL  51   4.841  -8.450  -3.211
  349   3HG2  VAL  51          HG13      VAL  51   5.392  -9.470  -1.883
  350    H    LEU  52           HN       LEU  52   0.638  -8.677  -3.027
  351    HA   LEU  52           HA       LEU  52  -1.456  -7.298  -1.561
  352   1HB   LEU  52          HB2       LEU  52  -1.331  -8.598  -3.878
  353   2HB   LEU  52          HB1       LEU  52  -1.778  -9.977  -2.881
  354    HG   LEU  52           HG       LEU  52  -3.787  -8.887  -3.792
  355   1HD1  LEU  52          HD11      LEU  52  -5.002  -8.754  -1.759
  356   2HD1  LEU  52          HD12      LEU  52  -3.603  -8.153  -0.870
  357   3HD1  LEU  52          HD13      LEU  52  -3.654  -9.833  -1.401
  358   1HD2  LEU  52          HD21      LEU  52  -4.067  -6.636  -3.839
  359   2HD2  LEU  52          HD22      LEU  52  -2.342  -6.555  -3.483
  360   3HD2  LEU  52          HD23      LEU  52  -3.519  -6.447  -2.175
  361    H    TYR  53           HN       TYR  53  -1.836  -7.683   0.582
  362    HA   TYR  53           HA       TYR  53  -0.788  -9.921   2.042
  363   1HB   TYR  53          HB2       TYR  53  -1.535  -7.563   2.794
  364   2HB   TYR  53          HB1       TYR  53  -3.175  -8.213   2.795
  365    HD1  TYR  53           HD1      TYR  53  -3.953  -9.567   4.584
  366    HD2  TYR  53           HD2      TYR  53   0.241  -8.716   4.209
  367    HE1  TYR  53           HE1      TYR  53  -3.547 -10.576   6.814
  368    HE2  TYR  53           HE2      TYR  53   0.646  -9.724   6.437
  369    HH   TYR  53           HH       TYR  53  -1.768 -10.336   8.643
  370    H    GLU  54           HN       GLU  54  -1.519 -11.998   1.866
  371    HA   GLU  54           HA       GLU  54  -4.414 -12.438   1.221
  372   1HB   GLU  54          HB1       GLU  54  -1.827 -13.635   0.428
  373   2HB   GLU  54          HB2       GLU  54  -3.090 -14.814   0.783
  374   1HG   GLU  54          HG2       GLU  54  -3.588 -12.434  -1.012
  375   2HG   GLU  54          HG1       GLU  54  -2.958 -13.956  -1.638
  376    H    GLU  55           HN       GLU  55  -5.563 -13.978   2.489
  377    HA   GLU  55           HA       GLU  55  -4.451 -14.411   5.199
  378   1HB   GLU  55          HB2       GLU  55  -7.156 -14.855   3.885
  379   2HB   GLU  55          HB1       GLU  55  -6.838 -15.151   5.594
  380   1HG   GLU  55          HG1       GLU  55  -6.106 -12.490   4.416
  381   2HG   GLU  55          HG2       GLU  55  -7.794 -12.815   4.812
  382    H    LYS  56           HN       LYS  56  -3.109 -16.207   5.253
  383    HA   LYS  56           HA       LYS  56  -4.169 -18.739   4.038
  384   1HB   LYS  56          HB1       LYS  56  -2.154 -17.805   2.938
  385   2HB   LYS  56          HB2       LYS  56  -1.317 -17.781   4.491
  386   1HG   LYS  56          HG1       LYS  56  -1.195 -20.125   4.604
  387   2HG   LYS  56          HG2       LYS  56  -2.508 -20.342   3.447
  388   1HD   LYS  56          HD1       LYS  56  -1.067 -20.341   1.713
  389   2HD   LYS  56          HD2       LYS  56  -0.334 -18.833   2.258
  390   1HE   LYS  56          HE2       LYS  56   1.221 -19.980   3.665
  391   2HE   LYS  56          HE1       LYS  56   0.315 -21.500   3.550
  392   1HZ   LYS  56          HZ1       LYS  56   1.771 -20.086   1.378
  393   2HZ   LYS  56          HZ2       LYS  56   0.688 -21.361   1.090
  394   3HZ   LYS  56          HZ3       LYS  56   2.097 -21.633   1.998
  Start of MODEL   16
    1    H    ALA   1           HT1      ALA   1 -14.761  -3.222   4.207
    2    HA   ALA   1           HA       ALA   1 -12.630  -3.044   5.143
    3   1HB   ALA   1          HB1       ALA   1 -13.284  -5.292   5.225
    4   2HB   ALA   1          HB2       ALA   1 -11.742  -5.423   4.380
    5   3HB   ALA   1          HB3       ALA   1 -13.252  -5.465   3.471
    6    H    TYR   2           HN       TYR   2 -12.651  -3.039   1.669
    7    HA   TYR   2           HA       TYR   2 -11.032  -2.425   0.079
    8   1HB   TYR   2          HB2       TYR   2 -10.740  -0.936   2.531
    9   2HB   TYR   2          HB1       TYR   2  -9.167  -1.106   1.748
   10    HD1  TYR   2           HD1      TYR   2 -11.967   0.935   1.938
   11    HD2  TYR   2           HD2      TYR   2  -9.379  -0.877  -0.968
   12    HE1  TYR   2           HE1      TYR   2 -12.619   2.664   0.282
   13    HE2  TYR   2           HE2      TYR   2 -10.029   0.850  -2.626
   14    HH   TYR   2           HH       TYR   2 -12.610   3.138  -1.976
   15    H    LEU   3           HN       LEU   3  -8.972  -3.011  -0.728
   16    HA   LEU   3           HA       LEU   3  -7.933  -5.521   0.207
   17   1HB   LEU   3          HB1       LEU   3  -7.434  -3.501  -1.889
   18   2HB   LEU   3          HB2       LEU   3  -5.998  -4.408  -1.420
   19    HG   LEU   3           HG       LEU   3  -7.355  -6.524  -1.701
   20   1HD1  LEU   3          HD21      LEU   3  -9.554  -6.425  -2.199
   21   2HD1  LEU   3          HD22      LEU   3  -9.269  -5.280  -3.509
   22   3HD1  LEU   3          HD23      LEU   3  -9.469  -4.698  -1.857
   23   1HD2  LEU   3          HD11      LEU   3  -7.427  -6.233  -4.295
   24   2HD2  LEU   3          HD12      LEU   3  -5.873  -6.091  -3.473
   25   3HD2  LEU   3          HD13      LEU   3  -6.744  -4.640  -3.970
   26    H    LYS   4           HN       LYS   4  -5.538  -5.795   0.743
   27    HA   LYS   4           HA       LYS   4  -4.363  -3.505   2.234
   28   1HB   LYS   4          HB1       LYS   4  -5.609  -5.949   3.319
   29   2HB   LYS   4          HB2       LYS   4  -3.993  -5.637   3.955
   30   1HG   LYS   4          HG2       LYS   4  -4.615  -3.523   4.815
   31   2HG   LYS   4          HG1       LYS   4  -6.070  -3.451   3.820
   32   1HD   LYS   4          HD2       LYS   4  -7.282  -4.543   5.380
   33   2HD   LYS   4          HD1       LYS   4  -6.067  -5.814   5.519
   34   1HE   LYS   4          HE1       LYS   4  -5.026  -3.409   6.716
   35   2HE   LYS   4          HE2       LYS   4  -6.624  -3.758   7.402
   36   1HZ   LYS   4          HZ1       LYS   4  -4.326  -5.629   7.151
   37   2HZ   LYS   4          HZ2       LYS   4  -5.891  -6.111   7.606
   38   3HZ   LYS   4          HZ3       LYS   4  -5.010  -5.044   8.592
   39    H    TRP   5           HN       TRP   5  -2.202  -3.435   1.784
   40    HA   TRP   5           HA       TRP   5  -0.927  -5.884   0.613
   41   1HB   TRP   5          HB2       TRP   5  -0.116  -2.953   0.519
   42   2HB   TRP   5          HB1       TRP   5   0.598  -4.256  -0.422
   43    HD1  TRP   5           HD1      TRP   5  -2.914  -2.694   0.083
   44    HE1  TRP   5           HE1      TRP   5  -4.115  -2.692  -2.191
   45    HE3  TRP   5           HE3      TRP   5   0.623  -5.011  -2.773
   46    HZ2  TRP   5           HZ2      TRP   5  -3.639  -3.565  -4.880
   47    HZ3  TRP   5           HZ3      TRP   5   0.227  -5.413  -5.184
   48    HH2  TRP   5           HH2      TRP   5  -1.896  -4.694  -6.242
   49    H    ILE   6           HN       ILE   6   1.553  -5.885   1.106
   50    HA   ILE   6           HA       ILE   6   2.219  -4.772   3.767
   51    HB   ILE   6           HB       ILE   6   1.182  -6.891   4.316
   52   1HG1  ILE   6          HG12      ILE   6   2.993  -8.034   5.436
   53   2HG1  ILE   6          HG11      ILE   6   4.173  -7.369   4.310
   54   1HG2  ILE   6          HG21      ILE   6   1.900  -8.995   3.293
   55   2HG2  ILE   6          HG22      ILE   6   3.096  -8.138   2.323
   56   3HG2  ILE   6          HG23      ILE   6   1.375  -7.875   2.036
   57   1HD1  ILE   6          HD11      ILE   6   3.501  -6.275   6.765
   58   2HD1  ILE   6          HD12      ILE   6   2.570  -5.300   5.627
   59   3HD1  ILE   6          HD13      ILE   6   4.320  -5.423   5.456
   60    H    CYS   7           HN       CYS   7   4.222  -3.940   3.585
   61    HA   CYS   7           HA       CYS   7   5.949  -4.453   1.329
   62   1HB   CYS   7          HB2       CYS   7   5.685  -2.386   2.865
   63   2HB   CYS   7          HB1       CYS   7   6.698  -3.260   4.013
   64    H    ILE   8           HN       ILE   8   6.478  -6.706   1.292
   65    HA   ILE   8           HA       ILE   8   7.221  -8.356   3.446
   66    HB   ILE   8           HB       ILE   8   8.470  -9.601   1.649
   67   1HG1  ILE   8          HG11      ILE   8   7.619  -7.453  -0.270
   68   2HG1  ILE   8          HG12      ILE   8   9.149  -7.287   0.591
   69   1HG2  ILE   8          HG21      ILE   8   6.113  -8.823   0.124
   70   2HG2  ILE   8          HG22      ILE   8   5.739  -9.034   1.834
   71   3HG2  ILE   8          HG23      ILE   8   6.469 -10.355   0.923
   72   1HD1  ILE   8          HD11      ILE   8   8.438  -9.837  -0.859
   73   2HD1  ILE   8          HD12      ILE   8  10.030  -9.266  -0.361
   74   3HD1  ILE   8          HD13      ILE   8   9.195  -8.486  -1.703
   75    H    THR   9           HN       THR   9   8.986  -5.751   1.952
   76    HA   THR   9           HA       THR   9  11.655  -6.408   2.657
   77    HB   THR   9           HB       THR   9  10.272  -3.702   2.570
   78    HG1  THR   9           HG1      THR   9   9.837  -4.404   0.631
   79   1HG2  THR   9          HG21      THR   9  12.332  -2.830   2.760
   80   2HG2  THR   9          HG22      THR   9  12.892  -3.801   1.398
   81   3HG2  THR   9          HG23      THR   9  12.966  -4.454   3.035
   82    H    CYS  10           HN       CYS  10   9.168  -4.609   4.509
   83    HA   CYS  10           HA       CYS  10  10.907  -4.944   6.934
   84   1HB   CYS  10          HB1       CYS  10   9.903  -2.760   7.644
   85   2HB   CYS  10          HB2       CYS  10  10.803  -2.629   6.135
   86    H    GLY  11           HN       GLY  11   7.608  -4.989   5.634
   87   1HA   GLY  11          HA2       GLY  11   6.034  -6.646   6.553
   88   2HA   GLY  11          HA1       GLY  11   6.774  -6.395   8.134
   89    H    HIS  12           HN       HIS  12   6.000  -3.740   5.963
   90    HA   HIS  12           HA       HIS  12   4.136  -2.669   8.017
   91   1HB   HIS  12          HB2       HIS  12   6.089  -1.402   6.947
   92   2HB   HIS  12          HB1       HIS  12   5.153  -1.403   5.452
   93    HD1  HIS  12           HD1      HIS  12   5.522   1.335   6.286
   94    HD2  HIS  12           HD2      HIS  12   2.562  -0.978   8.092
   95    HE1  HIS  12           HE1      HIS  12   3.872   2.958   7.314
   96    H    ILE  13           HN       ILE  13   2.030  -3.309   7.733
   97    HA   ILE  13           HA       ILE  13   1.017  -4.110   5.113
   98    HB   ILE  13           HB       ILE  13  -0.162  -3.803   7.891
   99   1HG1  ILE  13          HG12      ILE  13   0.242  -6.329   6.289
  100   2HG1  ILE  13          HG11      ILE  13   1.551  -5.641   7.245
  101   1HG2  ILE  13          HG21      ILE  13  -1.816  -5.482   6.358
  102   2HG2  ILE  13          HG22      ILE  13  -1.521  -4.075   5.336
  103   3HG2  ILE  13          HG23      ILE  13  -2.211  -3.867   6.946
  104   1HD1  ILE  13          HD11      ILE  13  -0.368  -5.559   9.109
  105   2HD1  ILE  13          HD12      ILE  13   0.609  -7.004   8.852
  106   3HD1  ILE  13          HD13      ILE  13  -1.004  -6.894   8.148
  107    H    TYR  14           HN       TYR  14   0.011  -2.792   3.673
  108    HA   TYR  14           HA       TYR  14  -0.555   0.022   4.418
  109   1HB   TYR  14          HB2       TYR  14   0.709  -0.392   2.395
  110   2HB   TYR  14          HB1       TYR  14  -0.463  -1.585   1.840
  111    HD1  TYR  14           HD1      TYR  14  -0.184   2.021   2.789
  112    HD2  TYR  14           HD2      TYR  14  -2.207  -0.923   0.402
  113    HE1  TYR  14           HE1      TYR  14  -1.452   3.820   1.646
  114    HE2  TYR  14           HE2      TYR  14  -3.472   0.877  -0.742
  115    HH   TYR  14           HH       TYR  14  -4.137   3.141  -0.424
  116    H    ASP  15           HN       ASP  15  -2.618   0.752   4.739
  117    HA   ASP  15           HA       ASP  15  -4.877  -1.151   4.313
  118   1HB   ASP  15          HB2       ASP  15  -4.287  -0.007   6.542
  119   2HB   ASP  15          HB1       ASP  15  -4.836   1.495   5.796
  120    H    GLU  16           HN       GLU  16  -5.606  -0.844   2.203
  121    HA   GLU  16           HA       GLU  16  -5.482   1.485   0.640
  122   1HB   GLU  16          HB2       GLU  16  -7.116  -1.006   0.788
  123   2HB   GLU  16          HB1       GLU  16  -7.733   0.278  -0.249
  124   1HG   GLU  16          HG2       GLU  16  -5.332   0.394  -1.207
  125   2HG   GLU  16          HG1       GLU  16  -5.095  -1.174  -0.434
  126    H    ALA  17           HN       ALA  17  -7.724   0.674   3.230
  127    HA   ALA  17           HA       ALA  17  -9.503   2.950   2.559
  128   1HB   ALA  17          HB1       ALA  17 -10.001   1.636   5.092
  129   2HB   ALA  17          HB2       ALA  17  -9.704   0.428   3.840
  130   3HB   ALA  17          HB3       ALA  17 -10.990   1.617   3.632
  131    H    LEU  18           HN       LEU  18  -6.573   3.087   3.661
  132    HA   LEU  18           HA       LEU  18  -6.933   5.451   5.267
  133   1HB   LEU  18          HB1       LEU  18  -7.606   3.280   6.665
  134   2HB   LEU  18          HB2       LEU  18  -5.858   3.150   6.873
  135    HG   LEU  18           HG       LEU  18  -6.339   5.837   7.347
  136   1HD1  LEU  18          HD21      LEU  18  -8.615   4.152   8.419
  137   2HD1  LEU  18          HD22      LEU  18  -8.728   5.606   7.428
  138   3HD1  LEU  18          HD23      LEU  18  -8.180   5.720   9.101
  139   1HD2  LEU  18          HD11      LEU  18  -5.835   5.276   9.668
  140   2HD2  LEU  18          HD12      LEU  18  -4.866   4.256   8.603
  141   3HD2  LEU  18          HD13      LEU  18  -6.299   3.596   9.392
  142    H    GLY  19           HN       GLY  19  -5.332   5.483   3.249
  143   1HA   GLY  19          HA1       GLY  19  -2.733   4.302   3.536
  144   2HA   GLY  19          HA2       GLY  19  -3.127   5.648   2.468
  145    H    ASP  20           HN       ASP  20  -1.378   6.966   2.964
  146    HA   ASP  20           HA       ASP  20  -0.776   7.593   5.796
  147   1HB   ASP  20          HB1       ASP  20   0.525   7.572   3.170
  148   2HB   ASP  20          HB2       ASP  20   0.884   9.045   4.076
  149    H    GLU  21           HN       GLU  21  -0.250  10.024   6.163
  150    HA   GLU  21           HA       GLU  21  -2.503  11.650   5.045
  151   1HB   GLU  21          HB2       GLU  21  -2.236  11.069   7.550
  152   2HB   GLU  21          HB1       GLU  21  -0.863  12.176   7.538
  153   1HG   GLU  21          HG1       GLU  21  -2.390  13.947   6.606
  154   2HG   GLU  21          HG2       GLU  21  -3.739  12.835   6.841
  155    H    ALA  22           HN       ALA  22   0.980  11.609   5.688
  156    HA   ALA  22           HA       ALA  22   1.594  14.312   5.038
  157   1HB   ALA  22          HB1       ALA  22   3.039  11.660   4.878
  158   2HB   ALA  22          HB2       ALA  22   3.248  12.947   6.064
  159   3HB   ALA  22          HB3       ALA  22   3.844  13.160   4.419
  160    H    GLU  23           HN       GLU  23   1.967  11.443   2.901
  161    HA   GLU  23           HA       GLU  23   2.413  12.916   0.507
  162   1HB   GLU  23          HB2       GLU  23   1.263  10.167   1.094
  163   2HB   GLU  23          HB1       GLU  23   1.763  10.697  -0.507
  164   1HG   GLU  23          HG2       GLU  23   3.954  10.396  -0.035
  165   2HG   GLU  23          HG1       GLU  23   3.804  11.209   1.522
  166    H    GLY  24           HN       GLY  24  -0.501  12.337   2.297
  167   1HA   GLY  24          HA2       GLY  24  -2.573  13.472   1.863
  168   2HA   GLY  24          HA1       GLY  24  -2.041  13.757   0.205
  169    H    PHE  25           HN       PHE  25  -1.873  10.628   1.826
  170    HA   PHE  25           HA       PHE  25  -3.382   9.381  -0.347
  171   1HB   PHE  25          HB1       PHE  25  -1.532   8.729   1.786
  172   2HB   PHE  25          HB2       PHE  25  -2.902   7.632   1.846
  173    HD1  PHE  25           HD1      PHE  25  -1.670   5.686   1.164
  174    HD2  PHE  25           HD2      PHE  25  -1.682   9.208  -1.284
  175    HE1  PHE  25           HE1      PHE  25  -0.695   4.383  -0.711
  176    HE2  PHE  25           HE2      PHE  25  -0.703   7.912  -3.160
  177    HZ   PHE  25           HZ       PHE  25  -0.210   5.497  -2.872
  178    H    THR  26           HN       THR  26  -5.399  10.679   0.175
  179    HA   THR  26           HA       THR  26  -6.898  10.570   2.525
  180    HB   THR  26           HB       THR  26  -7.331  11.843   0.415
  181    HG1  THR  26           HG1      THR  26  -9.459  11.874   0.770
  182   1HG2  THR  26          HG21      THR  26  -7.214   9.310  -0.741
  183   2HG2  THR  26          HG22      THR  26  -7.701  10.800  -1.550
  184   3HG2  THR  26          HG23      THR  26  -8.921   9.745  -0.834
  185    HA   PRO  27           HA       PRO  27  -8.072   6.386   3.203
  186   1HB   PRO  27          HB1       PRO  27 -10.826   7.369   3.757
  187   2HB   PRO  27          HB2       PRO  27  -9.724   6.468   4.813
  188   1HG   PRO  27          HG2       PRO  27 -10.248   9.075   5.172
  189   2HG   PRO  27          HG1       PRO  27  -8.673   8.364   5.547
  190   1HD   PRO  27          HD1       PRO  27  -9.479  10.079   3.255
  191   2HD   PRO  27          HD2       PRO  27  -7.921   9.975   4.102
  192    H    GLY  28           HN       GLY  28  -8.519   4.953   1.580
  193   1HA   GLY  28          HA2       GLY  28 -10.316   3.952   0.170
  194   2HA   GLY  28          HA1       GLY  28 -10.782   5.595  -0.269
  195    H    THR  29           HN       THR  29  -7.400   4.815  -0.008
  196    HA   THR  29           HA       THR  29  -7.099   5.288  -2.925
  197    HB   THR  29           HB       THR  29  -4.980   4.933  -0.781
  198    HG1  THR  29           HG1      THR  29  -5.931   6.624   0.041
  199   1HG2  THR  29          HG21      THR  29  -4.617   5.081  -3.421
  200   2HG2  THR  29          HG22      THR  29  -3.517   5.883  -2.300
  201   3HG2  THR  29          HG23      THR  29  -4.787   6.807  -3.102
  202    H    ARG  30           HN       ARG  30  -6.472   3.679  -4.323
  203    HA   ARG  30           HA       ARG  30  -5.965   0.969  -3.152
  204   1HB   ARG  30          HB2       ARG  30  -7.989   1.410  -4.605
  205   2HB   ARG  30          HB1       ARG  30  -6.889   1.780  -5.932
  206   1HG   ARG  30          HG1       ARG  30  -6.643  -0.411  -6.380
  207   2HG   ARG  30          HG2       ARG  30  -6.106  -0.713  -4.727
  208   1HD   ARG  30          HD2       ARG  30  -8.049  -2.022  -4.806
  209   2HD   ARG  30          HD1       ARG  30  -8.716  -0.490  -4.210
  210    HE   ARG  30           HE       ARG  30  -9.743  -0.186  -6.322
  211   1HH1  ARG  30          HH11      ARG  30  -7.219  -2.575  -6.504
  212   2HH1  ARG  30          HH12      ARG  30  -7.588  -3.001  -8.139
  213   1HH2  ARG  30          HH21      ARG  30 -10.204  -0.757  -8.444
  214   2HH2  ARG  30          HH22      ARG  30  -9.266  -1.981  -9.230
  215    H    PHE  31           HN       PHE  31  -4.056  -0.085  -3.689
  216    HA   PHE  31           HA       PHE  31  -1.746   1.247  -4.537
  217   1HB   PHE  31          HB1       PHE  31  -2.596  -1.356  -3.861
  218   2HB   PHE  31          HB2       PHE  31  -1.819  -1.521  -5.434
  219    HD1  PHE  31           HD1      PHE  31  -1.206   0.611  -2.401
  220    HD2  PHE  31           HD2      PHE  31   0.403  -2.177  -5.244
  221    HE1  PHE  31           HE1      PHE  31   1.018   0.788  -1.317
  222    HE2  PHE  31           HE2      PHE  31   2.626  -2.001  -4.160
  223    HZ   PHE  31           HZ       PHE  31   2.933  -0.520  -2.195
  224    H    GLU  32           HN       GLU  32  -4.275  -0.223  -6.524
  225    HA   GLU  32           HA       GLU  32  -2.903  -0.297  -9.022
  226   1HB   GLU  32          HB1       GLU  32  -5.056  -1.375  -8.536
  227   2HB   GLU  32          HB2       GLU  32  -5.818   0.202  -8.327
  228   1HG   GLU  32          HG1       GLU  32  -6.369  -0.179 -10.537
  229   2HG   GLU  32          HG2       GLU  32  -4.796   0.583 -10.775
  230    H    ASP  33           HN       ASP  33  -5.132   2.221  -7.763
  231    HA   ASP  33           HA       ASP  33  -4.688   4.097  -9.873
  232   1HB   ASP  33          HB2       ASP  33  -6.045   3.880  -7.329
  233   2HB   ASP  33          HB1       ASP  33  -5.254   5.452  -7.434
  234    H    ILE  34           HN       ILE  34  -2.883   3.383  -6.935
  235    HA   ILE  34           HA       ILE  34  -1.307   5.790  -6.843
  236    HB   ILE  34           HB       ILE  34  -0.901   2.944  -5.863
  237   1HG1  ILE  34          HG12      ILE  34  -1.650   5.405  -4.285
  238   2HG1  ILE  34          HG11      ILE  34  -2.868   4.387  -5.051
  239   1HG2  ILE  34          HG21      ILE  34   0.833   3.807  -4.404
  240   2HG2  ILE  34          HG22      ILE  34   0.554   5.452  -4.977
  241   3HG2  ILE  34          HG23      ILE  34   1.246   4.246  -6.062
  242   1HD1  ILE  34          HD11      ILE  34  -1.861   3.970  -2.534
  243   2HD1  ILE  34          HD12      ILE  34  -0.843   2.904  -3.502
  244   3HD1  ILE  34          HD13      ILE  34  -2.596   2.716  -3.533
  245    HA   PRO  35           HA       PRO  35   0.995   4.646 -10.564
  246   1HB   PRO  35          HB1       PRO  35   2.415   7.189 -10.080
  247   2HB   PRO  35          HB2       PRO  35   1.451   6.699 -11.482
  248   1HG   PRO  35          HG1       PRO  35   0.626   8.559  -9.709
  249   2HG   PRO  35          HG2       PRO  35  -0.488   7.504 -10.591
  250   1HD   PRO  35          HD2       PRO  35   0.424   7.353  -7.756
  251   2HD   PRO  35          HD1       PRO  35  -1.163   6.974  -8.459
  252    H    ASP  36           HN       ASP  36   3.705   5.694 -10.689
  253    HA   ASP  36           HA       ASP  36   4.986   3.835  -8.770
  254   1HB   ASP  36          HB2       ASP  36   5.522   3.760 -11.173
  255   2HB   ASP  36          HB1       ASP  36   5.998   5.457 -11.135
  256    H    ASP  37           HN       ASP  37   4.361   7.205  -9.038
  257    HA   ASP  37           HA       ASP  37   6.702   8.352  -7.900
  258   1HB   ASP  37          HB2       ASP  37   3.839   8.991  -8.298
  259   2HB   ASP  37          HB1       ASP  37   4.603   9.873  -6.976
  260    H    TRP  38           HN       TRP  38   3.688   7.289  -6.271
  261    HA   TRP  38           HA       TRP  38   4.467   7.809  -3.606
  262   1HB   TRP  38          HB1       TRP  38   2.200   7.218  -4.337
  263   2HB   TRP  38          HB2       TRP  38   2.749   5.616  -4.826
  264    HD1  TRP  38           HD1      TRP  38   2.010   7.727  -1.732
  265    HE1  TRP  38           HE1      TRP  38   1.843   6.166   0.314
  266    HE3  TRP  38           HE3      TRP  38   3.510   3.331  -3.851
  267    HZ2  TRP  38           HZ2      TRP  38   2.286   3.415   0.964
  268    HZ3  TRP  38           HZ3      TRP  38   3.630   1.261  -2.500
  269    HH2  TRP  38           HH2      TRP  38   3.020   1.294  -0.096
  270    H    CYS  39           HN       CYS  39   4.973   6.050  -1.947
  271    HA   CYS  39           HA       CYS  39   6.350   3.636  -2.833
  272   1HB   CYS  39          HB2       CYS  39   8.598   4.439  -2.073
  273   2HB   CYS  39          HB1       CYS  39   7.988   5.367  -3.435
  274    HG   CYS  39           HG       CYS  39   8.123   7.382  -2.014
  275    H    CYS  40           HN       CYS  40   8.043   3.336  -0.605
  276    HA   CYS  40           HA       CYS  40   6.049   2.856   1.516
  277   1HB   CYS  40          HB1       CYS  40   8.163   1.472   0.536
  278   2HB   CYS  40          HB2       CYS  40   8.957   2.307   1.872
  279    HA   PRO  41           HA       PRO  41   7.343   6.453   3.740
  280   1HB   PRO  41          HB2       PRO  41   6.056   5.964   6.099
  281   2HB   PRO  41          HB1       PRO  41   5.190   6.432   4.625
  282   1HG   PRO  41          HG1       PRO  41   5.471   3.766   5.898
  283   2HG   PRO  41          HG2       PRO  41   4.107   4.455   5.010
  284   1HD   PRO  41          HD1       PRO  41   5.950   2.637   3.993
  285   2HD   PRO  41          HD2       PRO  41   4.873   3.664   3.026
  286    H    ASP  42           HN       ASP  42   8.710   3.517   4.167
  287    HA   ASP  42           HA       ASP  42  10.535   4.536   6.269
  288   1HB   ASP  42          HB1       ASP  42  10.176   2.499   7.628
  289   2HB   ASP  42          HB2       ASP  42   8.658   3.369   7.412
  290    H    CYS  43           HN       CYS  43  10.443   3.482   3.294
  291    HA   CYS  43           HA       CYS  43  12.979   1.941   3.560
  292   1HB   CYS  43          HB1       CYS  43  10.409   1.087   2.202
  293   2HB   CYS  43          HB2       CYS  43  11.961   0.370   1.777
  294    H    GLY  44           HN       GLY  44  10.765   2.611   0.833
  295   1HA   GLY  44          HA2       GLY  44  11.293   4.624  -0.607
  296   2HA   GLY  44          HA1       GLY  44  12.988   4.178  -0.415
  297    H    ALA  45           HN       ALA  45  10.308   1.920  -0.944
  298    HA   ALA  45           HA       ALA  45  11.550   1.237  -3.591
  299   1HB   ALA  45          HB1       ALA  45  11.998  -0.559  -2.122
  300   2HB   ALA  45          HB2       ALA  45  10.516  -1.081  -2.923
  301   3HB   ALA  45          HB3       ALA  45  10.446  -0.392  -1.301
  302    H    THR  46           HN       THR  46   9.847  -0.103  -4.933
  303    HA   THR  46           HA       THR  46   7.319   1.484  -4.964
  304    HB   THR  46           HB       THR  46   7.211   0.712  -7.290
  305    HG1  THR  46           HG1      THR  46   8.611  -0.808  -8.045
  306   1HG2  THR  46          HG21      THR  46   8.699   2.611  -6.854
  307   2HG2  THR  46          HG22      THR  46   9.376   1.595  -8.128
  308   3HG2  THR  46          HG23      THR  46  10.026   1.508  -6.491
  309    H    LYS  47           HN       LYS  47   5.723  -0.347  -6.369
  310    HA   LYS  47           HA       LYS  47   4.579  -1.957  -4.345
  311   1HB   LYS  47          HB2       LYS  47   3.464  -1.294  -6.437
  312   2HB   LYS  47          HB1       LYS  47   4.616  -2.242  -7.377
  313   1HG   LYS  47          HG2       LYS  47   3.702  -4.144  -5.655
  314   2HG   LYS  47          HG1       LYS  47   2.267  -3.131  -5.804
  315   1HD   LYS  47          HD1       LYS  47   2.250  -3.371  -8.198
  316   2HD   LYS  47          HD2       LYS  47   3.839  -4.136  -8.191
  317   1HE   LYS  47          HE2       LYS  47   3.005  -6.160  -7.364
  318   2HE   LYS  47          HE1       LYS  47   1.590  -5.388  -6.625
  319   1HZ   LYS  47          HZ1       LYS  47   0.730  -4.889  -8.803
  320   2HZ   LYS  47          HZ2       LYS  47   1.057  -6.553  -8.726
  321   3HZ   LYS  47          HZ3       LYS  47   2.119  -5.515  -9.551
  322    H    GLU  48           HN       GLU  48   7.380  -2.517  -6.356
  323    HA   GLU  48           HA       GLU  48   7.562  -5.329  -6.404
  324   1HB   GLU  48          HB2       GLU  48  10.021  -4.858  -6.495
  325   2HB   GLU  48          HB1       GLU  48   9.099  -3.774  -7.536
  326   1HG   GLU  48          HG2       GLU  48  10.245  -2.127  -6.468
  327   2HG   GLU  48          HG1       GLU  48   9.087  -2.394  -5.167
  328    H    ASP  49           HN       ASP  49   7.986  -3.096  -3.735
  329    HA   ASP  49           HA       ASP  49   9.088  -5.196  -1.951
  330   1HB   ASP  49          HB1       ASP  49   8.716  -2.239  -2.009
  331   2HB   ASP  49          HB2       ASP  49   8.660  -2.992  -0.416
  332    H    TYR  50           HN       TYR  50   6.060  -3.669  -2.771
  333    HA   TYR  50           HA       TYR  50   4.724  -4.650  -0.310
  334   1HB   TYR  50          HB1       TYR  50   4.255  -2.712  -2.532
  335   2HB   TYR  50          HB2       TYR  50   2.825  -3.437  -1.808
  336    HD1  TYR  50           HD1      TYR  50   2.636  -3.390   0.767
  337    HD2  TYR  50           HD2      TYR  50   5.353  -0.932  -1.471
  338    HE1  TYR  50           HE1      TYR  50   2.840  -1.853   2.705
  339    HE2  TYR  50           HE2      TYR  50   5.559   0.607   0.466
  340    HH   TYR  50           HH       TYR  50   4.238  -0.187   3.589
  341    H    VAL  51           HN       VAL  51   3.331  -6.389  -0.340
  342    HA   VAL  51           HA       VAL  51   2.683  -7.612  -2.986
  343    HB   VAL  51           HB       VAL  51   4.445  -8.850  -1.831
  344   1HG1  VAL  51          HG11      VAL  51   2.425  -8.765   0.397
  345   2HG1  VAL  51          HG12      VAL  51   4.070  -8.142   0.408
  346   3HG1  VAL  51          HG13      VAL  51   3.789  -9.883   0.395
  347   1HG2  VAL  51          HG21      VAL  51   2.939 -10.254  -3.066
  348   2HG2  VAL  51          HG22      VAL  51   1.696 -10.123  -1.822
  349   3HG2  VAL  51          HG23      VAL  51   3.170 -11.037  -1.502
  350    H    LEU  52           HN       LEU  52   0.566  -8.535  -3.141
  351    HA   LEU  52           HA       LEU  52  -1.487  -7.303  -1.573
  352   1HB   LEU  52          HB2       LEU  52  -1.350  -8.470  -3.950
  353   2HB   LEU  52          HB1       LEU  52  -1.872  -9.881  -3.033
  354    HG   LEU  52           HG       LEU  52  -3.302  -7.329  -2.488
  355   1HD1  LEU  52          HD21      LEU  52  -3.781  -8.942  -5.008
  356   2HD1  LEU  52          HD22      LEU  52  -3.045  -7.339  -4.957
  357   3HD1  LEU  52          HD23      LEU  52  -4.723  -7.555  -4.459
  358   1HD2  LEU  52          HD11      LEU  52  -3.615 -10.074  -1.956
  359   2HD2  LEU  52          HD12      LEU  52  -4.900  -9.661  -3.092
  360   3HD2  LEU  52          HD13      LEU  52  -4.748  -8.780  -1.571
  361    H    TYR  53           HN       TYR  53  -1.859  -7.772   0.549
  362    HA   TYR  53           HA       TYR  53  -0.931 -10.179   1.849
  363   1HB   TYR  53          HB2       TYR  53  -1.416  -7.784   2.738
  364   2HB   TYR  53          HB1       TYR  53  -3.097  -8.306   2.826
  365    HD1  TYR  53           HD1      TYR  53  -3.758 -10.178   4.320
  366    HD2  TYR  53           HD2      TYR  53   0.249  -8.639   4.257
  367    HE1  TYR  53           HE1      TYR  53  -3.285 -11.320   6.471
  368    HE2  TYR  53           HE2      TYR  53   0.725  -9.778   6.405
  369    HH   TYR  53           HH       TYR  53  -1.267 -10.679   8.485
  370    H    GLU  54           HN       GLU  54  -1.890 -12.155   1.592
  371    HA   GLU  54           HA       GLU  54  -4.667 -12.377   0.638
  372   1HB   GLU  54          HB2       GLU  54  -2.222 -13.941   0.770
  373   2HB   GLU  54          HB1       GLU  54  -3.589 -14.893   1.350
  374   1HG   GLU  54          HG1       GLU  54  -3.946 -15.293  -0.864
  375   2HG   GLU  54          HG2       GLU  54  -4.685 -13.692  -0.846
  376    H    GLU  55           HN       GLU  55  -6.256 -12.129   2.172
  377    HA   GLU  55           HA       GLU  55  -5.772 -13.259   4.906
  378   1HB   GLU  55          HB2       GLU  55  -6.388 -10.738   4.202
  379   2HB   GLU  55          HB1       GLU  55  -8.023 -11.395   4.254
  380   1HG   GLU  55          HG2       GLU  55  -7.060 -12.421   6.560
  381   2HG   GLU  55          HG1       GLU  55  -6.084 -10.955   6.466
  382    H    LYS  56           HN       LYS  56  -7.117 -14.896   5.612
  383    HA   LYS  56           HA       LYS  56  -8.727 -16.415   3.844
  384   1HB   LYS  56          HB1       LYS  56  -7.690 -16.859   6.213
  385   2HB   LYS  56          HB2       LYS  56  -9.219 -16.218   6.817
  386   1HG   LYS  56          HG2       LYS  56 -10.476 -17.927   5.699
  387   2HG   LYS  56          HG1       LYS  56  -9.070 -18.441   4.767
  388   1HD   LYS  56          HD1       LYS  56  -9.124 -18.548   7.787
  389   2HD   LYS  56          HD2       LYS  56  -9.681 -19.892   6.790
  390   1HE   LYS  56          HE1       LYS  56  -7.331 -19.519   5.582
  391   2HE   LYS  56          HE2       LYS  56  -6.902 -18.833   7.161
  392   1HZ   LYS  56          HZ1       LYS  56  -8.216 -21.470   6.729
  393   2HZ   LYS  56          HZ2       LYS  56  -7.758 -20.816   8.229
  394   3HZ   LYS  56          HZ3       LYS  56  -6.572 -21.254   7.094
  Start of MODEL   17
    1    H    ALA   1           HT1      ALA   1 -14.679  -4.802  -2.281
    2    HA   ALA   1           HA       ALA   1 -13.723  -3.081  -3.840
    3   1HB   ALA   1          HB1       ALA   1 -14.028  -2.092  -1.011
    4   2HB   ALA   1          HB2       ALA   1 -15.366  -2.959  -1.766
    5   3HB   ALA   1          HB3       ALA   1 -14.761  -1.468  -2.487
    6    H    TYR   2           HN       TYR   2 -12.245  -3.010  -0.566
    7    HA   TYR   2           HA       TYR   2  -9.836  -1.715  -1.783
    8   1HB   TYR   2          HB2       TYR   2 -11.066  -1.810   0.989
    9   2HB   TYR   2          HB1       TYR   2  -9.466  -1.129   0.691
   10    HD1  TYR   2           HD1      TYR   2  -9.479   0.456  -1.560
   11    HD2  TYR   2           HD2      TYR   2 -12.790  -0.255   1.083
   12    HE1  TYR   2           HE1      TYR   2 -10.520   2.583  -2.293
   13    HE2  TYR   2           HE2      TYR   2 -13.832   1.873   0.350
   14    HH   TYR   2           HH       TYR   2 -13.156   4.001  -0.648
   15    H    LEU   3           HN       LEU   3  -7.819  -2.656  -1.512
   16    HA   LEU   3           HA       LEU   3  -7.798  -5.407  -0.325
   17   1HB   LEU   3          HB1       LEU   3  -6.625  -4.045  -2.680
   18   2HB   LEU   3          HB2       LEU   3  -5.527  -5.145  -1.847
   19    HG   LEU   3           HG       LEU   3  -7.482  -6.829  -1.900
   20   1HD1  LEU   3          HD21      LEU   3  -9.267  -6.454  -3.355
   21   2HD1  LEU   3          HD22      LEU   3  -8.378  -5.256  -4.297
   22   3HD1  LEU   3          HD23      LEU   3  -9.009  -4.835  -2.704
   23   1HD2  LEU   3          HD11      LEU   3  -6.814  -6.571  -4.701
   24   2HD2  LEU   3          HD12      LEU   3  -6.241  -7.760  -3.532
   25   3HD2  LEU   3          HD13      LEU   3  -5.401  -6.220  -3.707
   26    H    LYS   4           HN       LYS   4  -5.556  -6.007   0.575
   27    HA   LYS   4           HA       LYS   4  -4.330  -3.659   1.987
   28   1HB   LYS   4          HB1       LYS   4  -5.120  -6.426   2.952
   29   2HB   LYS   4          HB2       LYS   4  -4.066  -5.363   3.884
   30   1HG   LYS   4          HG2       LYS   4  -6.016  -4.584   4.766
   31   2HG   LYS   4          HG1       LYS   4  -6.124  -3.666   3.264
   32   1HD   LYS   4          HD2       LYS   4  -7.631  -5.184   2.298
   33   2HD   LYS   4          HD1       LYS   4  -7.166  -6.488   3.390
   34   1HE   LYS   4          HE2       LYS   4  -8.115  -4.415   5.059
   35   2HE   LYS   4          HE1       LYS   4  -9.272  -4.530   3.720
   36   1HZ   LYS   4          HZ1       LYS   4  -8.184  -6.927   5.086
   37   2HZ   LYS   4          HZ2       LYS   4  -9.545  -6.824   4.075
   38   3HZ   LYS   4          HZ3       LYS   4  -9.591  -6.150   5.634
   39    H    TRP   5           HN       TRP   5  -2.176  -3.502   1.514
   40    HA   TRP   5           HA       TRP   5  -0.768  -5.884   0.394
   41   1HB   TRP   5          HB2       TRP   5   0.048  -2.957   0.544
   42   2HB   TRP   5          HB1       TRP   5   0.799  -4.203  -0.450
   43    HD1  TRP   5           HD1      TRP   5  -2.596  -2.413  -0.057
   44    HE1  TRP   5           HE1      TRP   5  -3.729  -2.327  -2.368
   45    HE3  TRP   5           HE3      TRP   5   0.772  -5.108  -2.788
   46    HZ2  TRP   5           HZ2      TRP   5  -3.272  -3.282  -5.029
   47    HZ3  TRP   5           HZ3      TRP   5   0.400  -5.506  -5.205
   48    HH2  TRP   5           HH2      TRP   5  -1.615  -4.598  -6.328
   49    H    ILE   6           HN       ILE   6   1.646  -5.958   1.086
   50    HA   ILE   6           HA       ILE   6   2.115  -5.014   3.859
   51    HB   ILE   6           HB       ILE   6   1.074  -7.184   4.168
   52   1HG1  ILE   6          HG12      ILE   6   2.820  -8.429   5.282
   53   2HG1  ILE   6          HG11      ILE   6   4.064  -7.660   4.301
   54   1HG2  ILE   6          HG21      ILE   6   1.467  -7.921   1.789
   55   2HG2  ILE   6          HG22      ILE   6   1.794  -9.175   2.986
   56   3HG2  ILE   6          HG23      ILE   6   3.130  -8.300   2.240
   57   1HD1  ILE   6          HD11      ILE   6   2.446  -5.660   5.631
   58   2HD1  ILE   6          HD12      ILE   6   4.187  -5.911   5.718
   59   3HD1  ILE   6          HD13      ILE   6   3.112  -6.793   6.804
   60    H    CYS   7           HN       CYS   7   4.170  -4.230   3.946
   61    HA   CYS   7           HA       CYS   7   6.038  -4.580   1.751
   62   1HB   CYS   7          HB2       CYS   7   5.684  -2.600   3.371
   63   2HB   CYS   7          HB1       CYS   7   6.596  -3.549   4.546
   64    H    ILE   8           HN       ILE   8   6.401  -6.922   1.705
   65    HA   ILE   8           HA       ILE   8   7.090  -8.613   3.829
   66    HB   ILE   8           HB       ILE   8   8.230  -9.924   2.080
   67   1HG1  ILE   8          HG11      ILE   8   8.046  -7.379   0.437
   68   2HG1  ILE   8          HG12      ILE   8   9.531  -8.063   1.097
   69   1HG2  ILE   8          HG21      ILE   8   5.615  -9.212   2.071
   70   2HG2  ILE   8          HG22      ILE   8   6.312 -10.327   0.896
   71   3HG2  ILE   8          HG23      ILE   8   6.093  -8.628   0.478
   72   1HD1  ILE   8          HD11      ILE   8   7.811  -9.063  -1.143
   73   2HD1  ILE   8          HD12      ILE   8   8.705 -10.236  -0.175
   74   3HD1  ILE   8          HD13      ILE   8   9.569  -8.966  -1.042
   75    H    THR   9           HN       THR   9   8.964  -6.070   2.348
   76    HA   THR   9           HA       THR   9  11.549  -6.848   3.427
   77    HB   THR   9           HB       THR   9  10.336  -4.312   2.273
   78    HG1  THR   9           HG1      THR   9  12.255  -6.072   1.177
   79   1HG2  THR   9          HG21      THR   9  12.884  -3.802   1.920
   80   2HG2  THR   9          HG22      THR   9  13.104  -4.900   3.283
   81   3HG2  THR   9          HG23      THR   9  12.137  -3.438   3.476
   82    H    CYS  10           HN       CYS  10   8.822  -4.917   4.552
   83    HA   CYS  10           HA       CYS  10  10.389  -4.146   6.984
   84   1HB   CYS  10          HB2       CYS  10   8.270  -2.928   5.312
   85   2HB   CYS  10          HB1       CYS  10   8.197  -2.580   7.034
   86    H    GLY  11           HN       GLY  11   7.053  -4.994   6.009
   87   1HA   GLY  11          HA2       GLY  11   5.966  -6.939   7.139
   88   2HA   GLY  11          HA1       GLY  11   6.771  -6.426   8.622
   89    H    HIS  12           HN       HIS  12   5.532  -3.923   6.576
   90    HA   HIS  12           HA       HIS  12   3.390  -3.383   8.591
   91   1HB   HIS  12          HB1       HIS  12   5.147  -1.803   6.745
   92   2HB   HIS  12          HB2       HIS  12   3.572  -1.124   7.156
   93    HD1  HIS  12           HD1      HIS  12   6.546  -2.666   8.995
   94    HD2  HIS  12           HD2      HIS  12   3.608   0.237   9.555
   95    HE1  HIS  12           HE1      HIS  12   7.034  -1.576  11.228
   96    H    ILE  13           HN       ILE  13   1.256  -3.405   7.954
   97    HA   ILE  13           HA       ILE  13   0.677  -4.274   5.183
   98    HB   ILE  13           HB       ILE  13  -0.791  -4.167   7.827
   99   1HG1  ILE  13          HG11      ILE  13  -0.832  -6.626   6.257
  100   2HG1  ILE  13          HG12      ILE  13   0.810  -6.062   6.556
  101   1HG2  ILE  13          HG21      ILE  13  -2.478  -3.533   6.175
  102   2HG2  ILE  13          HG22      ILE  13  -2.745  -5.207   6.661
  103   3HG2  ILE  13          HG23      ILE  13  -1.975  -4.849   5.115
  104   1HD1  ILE  13          HD11      ILE  13  -1.322  -6.397   8.686
  105   2HD1  ILE  13          HD12      ILE  13   0.359  -5.935   8.958
  106   3HD1  ILE  13          HD13      ILE  13  -0.026  -7.552   8.371
  107    H    TYR  14           HN       TYR  14  -0.159  -2.899   3.675
  108    HA   TYR  14           HA       TYR  14  -0.933  -0.146   4.516
  109   1HB   TYR  14          HB2       TYR  14   0.736  -0.360   2.749
  110   2HB   TYR  14          HB1       TYR  14  -0.298  -1.472   1.851
  111    HD1  TYR  14           HD1      TYR  14  -1.883  -0.648   0.298
  112    HD2  TYR  14           HD2      TYR  14  -0.151   2.012   3.193
  113    HE1  TYR  14           HE1      TYR  14  -2.973   1.279  -0.819
  114    HE2  TYR  14           HE2      TYR  14  -1.240   3.942   2.079
  115    HH   TYR  14           HH       TYR  14  -3.735   3.643  -0.069
  116    H    ASP  15           HN       ASP  15  -3.067   0.480   4.439
  117    HA   ASP  15           HA       ASP  15  -5.026  -1.482   3.302
  118   1HB   ASP  15          HB1       ASP  15  -5.428   0.696   5.384
  119   2HB   ASP  15          HB2       ASP  15  -6.551  -0.602   4.984
  120    H    GLU  16           HN       GLU  16  -5.635  -0.785   1.296
  121    HA   GLU  16           HA       GLU  16  -5.399   1.751   0.157
  122   1HB   GLU  16          HB1       GLU  16  -7.495  -0.418  -0.211
  123   2HB   GLU  16          HB2       GLU  16  -7.239   0.902  -1.350
  124   1HG   GLU  16          HG1       GLU  16  -4.784   0.145  -1.422
  125   2HG   GLU  16          HG2       GLU  16  -5.332  -1.324  -0.614
  126    H    ALA  17           HN       ALA  17  -7.771   0.673   2.501
  127    HA   ALA  17           HA       ALA  17  -9.633   2.885   1.970
  128   1HB   ALA  17          HB1       ALA  17 -10.131   0.509   2.823
  129   2HB   ALA  17          HB2       ALA  17 -10.918   1.826   3.692
  130   3HB   ALA  17          HB3       ALA  17  -9.490   1.048   4.375
  131    H    LEU  18           HN       LEU  18  -6.629   2.979   3.233
  132    HA   LEU  18           HA       LEU  18  -7.006   5.475   4.615
  133   1HB   LEU  18          HB1       LEU  18  -7.913   3.442   6.103
  134   2HB   LEU  18          HB2       LEU  18  -6.201   3.277   6.496
  135    HG   LEU  18           HG       LEU  18  -7.325   4.755   8.115
  136   1HD1  LEU  18          HD21      LEU  18  -5.749   6.558   8.030
  137   2HD1  LEU  18          HD22      LEU  18  -5.599   6.430   6.277
  138   3HD1  LEU  18          HD23      LEU  18  -4.939   5.165   7.315
  139   1HD2  LEU  18          HD11      LEU  18  -7.729   6.911   6.127
  140   2HD2  LEU  18          HD12      LEU  18  -8.717   6.461   7.517
  141   3HD2  LEU  18          HD13      LEU  18  -8.855   5.559   6.008
  142    H    GLY  19           HN       GLY  19  -5.228   5.350   2.796
  143   1HA   GLY  19          HA1       GLY  19  -2.758   4.012   3.350
  144   2HA   GLY  19          HA2       GLY  19  -2.951   5.346   2.213
  145    H    ASP  20           HN       ASP  20  -1.265   6.664   2.792
  146    HA   ASP  20           HA       ASP  20  -0.829   7.278   5.669
  147   1HB   ASP  20          HB1       ASP  20   0.695   7.185   3.134
  148   2HB   ASP  20          HB2       ASP  20   1.132   8.530   4.190
  149    H    GLU  21           HN       GLU  21  -0.167   9.662   6.056
  150    HA   GLU  21           HA       GLU  21  -2.208  11.419   4.763
  151   1HB   GLU  21          HB2       GLU  21  -2.148  11.015   7.258
  152   2HB   GLU  21          HB1       GLU  21  -0.564  11.791   7.294
  153   1HG   GLU  21          HG2       GLU  21  -1.517  13.831   7.295
  154   2HG   GLU  21          HG1       GLU  21  -2.425  13.445   5.833
  155    H    ALA  22           HN       ALA  22   1.251  11.100   5.414
  156    HA   ALA  22           HA       ALA  22   2.000  13.754   4.537
  157   1HB   ALA  22          HB1       ALA  22   4.129  12.968   5.031
  158   2HB   ALA  22          HB2       ALA  22   3.827  11.395   4.293
  159   3HB   ALA  22          HB3       ALA  22   3.184  11.755   5.896
  160    H    GLU  23           HN       GLU  23   2.152  10.545   2.944
  161    HA   GLU  23           HA       GLU  23   3.104  11.436   0.419
  162   1HB   GLU  23          HB2       GLU  23   1.274   9.138   1.212
  163   2HB   GLU  23          HB1       GLU  23   2.175   9.237  -0.296
  164   1HG   GLU  23          HG1       GLU  23   3.738   9.611   2.204
  165   2HG   GLU  23          HG2       GLU  23   3.142   7.982   1.882
  166    H    GLY  24           HN       GLY  24  -0.015  11.773   1.905
  167   1HA   GLY  24          HA2       GLY  24  -1.728  13.228   1.039
  168   2HA   GLY  24          HA1       GLY  24  -1.026  13.053  -0.570
  169    H    PHE  25           HN       PHE  25  -1.461  10.199   1.370
  170    HA   PHE  25           HA       PHE  25  -3.312   9.094  -0.617
  171   1HB   PHE  25          HB2       PHE  25  -1.640   8.220   1.694
  172   2HB   PHE  25          HB1       PHE  25  -3.065   7.250   1.374
  173    HD1  PHE  25           HD1      PHE  25  -1.371   5.435   0.951
  174    HD2  PHE  25           HD2      PHE  25  -1.686   8.885  -1.581
  175    HE1  PHE  25           HE1      PHE  25  -0.165   4.225  -0.840
  176    HE2  PHE  25           HE2      PHE  25  -0.480   7.674  -3.375
  177    HZ   PHE  25           HZ       PHE  25   0.282   5.344  -3.001
  178    H    THR  26           HN       THR  26  -5.055  10.711  -0.090
  179    HA   THR  26           HA       THR  26  -6.368  10.914   2.405
  180    HB   THR  26           HB       THR  26  -6.626  12.311   0.341
  181    HG1  THR  26           HG1      THR  26  -8.390  12.873   1.290
  182   1HG2  THR  26          HG21      THR  26  -8.222  11.476  -1.393
  183   2HG2  THR  26          HG22      THR  26  -8.205   9.903  -0.595
  184   3HG2  THR  26          HG23      THR  26  -6.728  10.541  -1.318
  185    HA   PRO  27           HA       PRO  27  -8.436   7.110   3.143
  186   1HB   PRO  27          HB2       PRO  27 -10.974   8.654   3.436
  187   2HB   PRO  27          HB1       PRO  27 -10.189   7.556   4.585
  188   1HG   PRO  27          HG2       PRO  27 -10.150  10.217   4.900
  189   2HG   PRO  27          HG1       PRO  27  -8.800   9.187   5.395
  190   1HD   PRO  27          HD2       PRO  27  -9.032  11.015   3.069
  191   2HD   PRO  27          HD1       PRO  27  -7.598  10.549   4.006
  192    H    GLY  28           HN       GLY  28  -8.750   5.860   1.338
  193   1HA   GLY  28          HA2       GLY  28 -10.597   5.027  -0.156
  194   2HA   GLY  28          HA1       GLY  28 -10.881   6.715  -0.583
  195    H    THR  29           HN       THR  29  -7.691   5.252  -0.178
  196    HA   THR  29           HA       THR  29  -7.209   5.715  -3.104
  197    HB   THR  29           HB       THR  29  -5.265   5.774  -0.765
  198    HG1  THR  29           HG1      THR  29  -6.574   7.491  -0.486
  199   1HG2  THR  29          HG21      THR  29  -4.917   5.729  -3.598
  200   2HG2  THR  29          HG22      THR  29  -3.681   5.916  -2.354
  201   3HG2  THR  29          HG23      THR  29  -4.478   7.339  -3.027
  202    H    ARG  30           HN       ARG  30  -6.896   3.828  -4.203
  203    HA   ARG  30           HA       ARG  30  -5.922   1.442  -2.680
  204   1HB   ARG  30          HB1       ARG  30  -7.051   0.178  -4.471
  205   2HB   ARG  30          HB2       ARG  30  -8.162   1.358  -3.777
  206   1HG   ARG  30          HG2       ARG  30  -6.863   2.761  -5.815
  207   2HG   ARG  30          HG1       ARG  30  -7.146   1.162  -6.501
  208   1HD   ARG  30          HD1       ARG  30  -9.395   2.443  -4.990
  209   2HD   ARG  30          HD2       ARG  30  -9.038   3.034  -6.624
  210    HE   ARG  30           HE       ARG  30  -8.994   0.162  -6.606
  211   1HH1  ARG  30          HH12      ARG  30 -11.179   2.865  -6.425
  212   2HH1  ARG  30          HH11      ARG  30 -12.498   1.986  -7.113
  213   1HH2  ARG  30          HH21      ARG  30 -10.722  -0.960  -7.497
  214   2HH2  ARG  30          HH22      ARG  30 -12.245  -0.163  -7.717
  215    H    PHE  31           HN       PHE  31  -4.225   0.177  -3.604
  216    HA   PHE  31           HA       PHE  31  -2.007   1.437  -4.711
  217   1HB   PHE  31          HB1       PHE  31  -2.984  -1.210  -4.174
  218   2HB   PHE  31          HB2       PHE  31  -2.189  -1.232  -5.749
  219    HD1  PHE  31           HD1      PHE  31  -1.497   0.797  -2.676
  220    HD2  PHE  31           HD2      PHE  31  -0.063  -2.166  -5.434
  221    HE1  PHE  31           HE1      PHE  31   0.714   0.823  -1.555
  222    HE2  PHE  31           HE2      PHE  31   2.148  -2.141  -4.314
  223    HZ   PHE  31           HZ       PHE  31   2.537  -0.647  -2.374
  224    H    GLU  32           HN       GLU  32  -4.642  -0.180  -6.511
  225    HA   GLU  32           HA       GLU  32  -3.549   0.071  -9.119
  226   1HB   GLU  32          HB1       GLU  32  -5.475  -1.315  -8.479
  227   2HB   GLU  32          HB2       GLU  32  -6.421   0.131  -8.131
  228   1HG   GLU  32          HG2       GLU  32  -7.128  -0.209 -10.293
  229   2HG   GLU  32          HG1       GLU  32  -5.666   0.709 -10.653
  230    H    ASP  33           HN       ASP  33  -5.634   2.315  -7.281
  231    HA   ASP  33           HA       ASP  33  -5.742   4.269  -9.447
  232   1HB   ASP  33          HB1       ASP  33  -7.436   3.791  -7.573
  233   2HB   ASP  33          HB2       ASP  33  -6.336   4.653  -6.499
  234    H    ILE  34           HN       ILE  34  -3.649   3.643  -6.713
  235    HA   ILE  34           HA       ILE  34  -2.500   6.241  -6.383
  236    HB   ILE  34           HB       ILE  34  -1.580   3.390  -5.915
  237   1HG1  ILE  34          HG12      ILE  34  -2.296   5.567  -3.944
  238   2HG1  ILE  34          HG11      ILE  34  -3.488   4.448  -4.600
  239   1HG2  ILE  34          HG21      ILE  34  -0.200   5.912  -4.941
  240   2HG2  ILE  34          HG22      ILE  34   0.404   4.897  -6.250
  241   3HG2  ILE  34          HG23      ILE  34   0.289   4.249  -4.615
  242   1HD1  ILE  34          HD11      ILE  34  -1.013   3.208  -3.539
  243   2HD1  ILE  34          HD12      ILE  34  -2.689   2.683  -3.386
  244   3HD1  ILE  34          HD13      ILE  34  -2.066   3.956  -2.339
  245    HA   PRO  35           HA       PRO  35  -0.441   6.140 -10.419
  246   1HB   PRO  35          HB2       PRO  35   0.537   8.722 -10.215
  247   2HB   PRO  35          HB1       PRO  35  -1.084   8.328 -10.815
  248   1HG   PRO  35          HG2       PRO  35  -0.234   9.296  -8.135
  249   2HG   PRO  35          HG1       PRO  35  -1.687   9.684  -9.066
  250   1HD   PRO  35          HD1       PRO  35  -1.671   7.955  -6.964
  251   2HD   PRO  35          HD2       PRO  35  -2.810   7.831  -8.320
  252    H    ASP  36           HN       ASP  36   1.992   7.145 -10.875
  253    HA   ASP  36           HA       ASP  36   3.765   5.604  -9.205
  254   1HB   ASP  36          HB1       ASP  36   5.475   6.667 -10.657
  255   2HB   ASP  36          HB2       ASP  36   4.095   6.125 -11.611
  256    H    ASP  37           HN       ASP  37   5.950   7.441  -8.947
  257    HA   ASP  37           HA       ASP  37   6.841   9.058  -7.487
  258   1HB   ASP  37          HB2       ASP  37   4.815  10.257  -8.708
  259   2HB   ASP  37          HB1       ASP  37   4.080  10.177  -7.108
  260    H    TRP  38           HN       TRP  38   4.950   6.595  -6.526
  261    HA   TRP  38           HA       TRP  38   4.806   7.500  -3.677
  262   1HB   TRP  38          HB1       TRP  38   2.719   6.748  -4.775
  263   2HB   TRP  38          HB2       TRP  38   3.483   5.211  -5.177
  264    HD1  TRP  38           HD1      TRP  38   2.488   7.293  -2.084
  265    HE1  TRP  38           HE1      TRP  38   2.069   5.672  -0.119
  266    HE3  TRP  38           HE3      TRP  38   3.833   2.881  -4.277
  267    HZ2  TRP  38           HZ2      TRP  38   2.279   2.878   0.444
  268    HZ3  TRP  38           HZ3      TRP  38   3.715   0.758  -3.005
  269    HH2  TRP  38           HH2      TRP  38   2.940   0.751  -0.650
  270    H    CYS  39           HN       CYS  39   5.367   5.773  -2.057
  271    HA   CYS  39           HA       CYS  39   6.969   3.486  -2.897
  272   1HB   CYS  39          HB2       CYS  39   9.097   4.421  -1.949
  273   2HB   CYS  39          HB1       CYS  39   8.528   5.326  -3.344
  274    HG   CYS  39           HG       CYS  39   7.415   7.004  -1.474
  275    H    CYS  40           HN       CYS  40   8.515   3.214  -0.572
  276    HA   CYS  40           HA       CYS  40   6.404   2.596   1.400
  277   1HB   CYS  40          HB1       CYS  40   8.543   1.245   0.499
  278   2HB   CYS  40          HB2       CYS  40   9.316   2.084   1.843
  279    HA   PRO  41           HA       PRO  41   7.340   6.211   3.778
  280   1HB   PRO  41          HB2       PRO  41   6.280   4.882   6.164
  281   2HB   PRO  41          HB1       PRO  41   5.589   6.229   5.247
  282   1HG   PRO  41          HG2       PRO  41   4.541   3.714   5.299
  283   2HG   PRO  41          HG1       PRO  41   4.302   4.864   3.979
  284   1HD   PRO  41          HD2       PRO  41   6.074   2.484   4.120
  285   2HD   PRO  41          HD1       PRO  41   5.220   3.191   2.732
  286    H    ASP  42           HN       ASP  42   8.727   3.142   4.339
  287    HA   ASP  42           HA       ASP  42  10.589   4.345   6.362
  288   1HB   ASP  42          HB2       ASP  42   8.880   2.604   7.136
  289   2HB   ASP  42          HB1       ASP  42   9.757   1.437   6.145
  290    H    CYS  43           HN       CYS  43  10.334   2.904   3.272
  291    HA   CYS  43           HA       CYS  43  13.258   2.226   3.335
  292   1HB   CYS  43          HB1       CYS  43  10.922   1.027   1.807
  293   2HB   CYS  43          HB2       CYS  43  12.604   0.613   1.492
  294    H    GLY  44           HN       GLY  44  10.930   2.599   0.665
  295   1HA   GLY  44          HA2       GLY  44  10.953   4.782  -0.612
  296   2HA   GLY  44          HA1       GLY  44  12.705   4.745  -0.417
  297    H    ALA  45           HN       ALA  45  10.744   1.896  -1.122
  298    HA   ALA  45           HA       ALA  45  12.150   1.712  -3.766
  299   1HB   ALA  45          HB1       ALA  45  11.323  -0.212  -1.615
  300   2HB   ALA  45          HB2       ALA  45  12.844  -0.122  -2.502
  301   3HB   ALA  45          HB3       ALA  45  11.413  -0.805  -3.273
  302    H    THR  46           HN       THR  46  10.778   0.180  -5.294
  303    HA   THR  46           HA       THR  46   8.254   1.509  -5.807
  304    HB   THR  46           HB       THR  46   8.188  -0.088  -7.682
  305    HG1  THR  46           HG1      THR  46  10.000  -1.641  -7.686
  306   1HG2  THR  46          HG21      THR  46  11.036   0.224  -7.842
  307   2HG2  THR  46          HG22      THR  46  10.353   1.654  -7.069
  308   3HG2  THR  46          HG23      THR  46   9.784   1.156  -8.664
  309    H    LYS  47           HN       LYS  47   6.579  -0.600  -6.572
  310    HA   LYS  47           HA       LYS  47   5.432  -1.387  -4.017
  311   1HB   LYS  47          HB1       LYS  47   4.842  -2.096  -6.915
  312   2HB   LYS  47          HB2       LYS  47   3.786  -2.500  -5.561
  313   1HG   LYS  47          HG1       LYS  47   3.193  -0.281  -5.186
  314   2HG   LYS  47          HG2       LYS  47   4.676   0.344  -5.908
  315   1HD   LYS  47          HD1       LYS  47   3.842  -0.490  -8.139
  316   2HD   LYS  47          HD2       LYS  47   2.307  -0.870  -7.358
  317   1HE   LYS  47          HE2       LYS  47   2.804   1.748  -6.544
  318   2HE   LYS  47          HE1       LYS  47   3.339   1.727  -8.235
  319   1HZ   LYS  47          HZ1       LYS  47   1.266   0.652  -8.846
  320   2HZ   LYS  47          HZ2       LYS  47   0.937   2.118  -8.054
  321   3HZ   LYS  47          HZ3       LYS  47   0.755   0.645  -7.226
  322    H    GLU  48           HN       GLU  48   7.971  -2.700  -5.831
  323    HA   GLU  48           HA       GLU  48   7.570  -5.474  -5.859
  324   1HB   GLU  48          HB1       GLU  48   9.717  -3.552  -5.971
  325   2HB   GLU  48          HB2       GLU  48  10.230  -4.926  -4.991
  326   1HG   GLU  48          HG2       GLU  48   9.035  -6.251  -7.019
  327   2HG   GLU  48          HG1       GLU  48   9.559  -4.807  -7.885
  328    H    ASP  49           HN       ASP  49   8.624  -3.423  -3.135
  329    HA   ASP  49           HA       ASP  49   9.019  -5.618  -1.284
  330   1HB   ASP  49          HB1       ASP  49   8.608  -2.620  -1.067
  331   2HB   ASP  49          HB2       ASP  49   8.908  -3.631   0.348
  332    H    TYR  50           HN       TYR  50   6.257  -3.724  -2.321
  333    HA   TYR  50           HA       TYR  50   4.577  -4.603  -0.061
  334   1HB   TYR  50          HB1       TYR  50   4.479  -2.741  -2.392
  335   2HB   TYR  50          HB2       TYR  50   2.935  -3.354  -1.813
  336    HD1  TYR  50           HD1      TYR  50   5.578  -0.994  -1.257
  337    HD2  TYR  50           HD2      TYR  50   2.437  -3.167   0.708
  338    HE1  TYR  50           HE1      TYR  50   5.649   0.612   0.631
  339    HE2  TYR  50           HE2      TYR  50   2.507  -1.560   2.598
  340    HH   TYR  50           HH       TYR  50   4.893   0.322   3.321
  341    H    VAL  51           HN       VAL  51   3.239  -6.368  -0.156
  342    HA   VAL  51           HA       VAL  51   2.699  -7.593  -2.841
  343    HB   VAL  51           HB       VAL  51   3.476  -8.899  -0.206
  344   1HG1  VAL  51          HG21      VAL  51   3.435 -11.013  -1.613
  345   2HG1  VAL  51          HG22      VAL  51   2.577 -10.086  -2.843
  346   3HG1  VAL  51          HG23      VAL  51   1.850 -10.328  -1.255
  347   1HG2  VAL  51          HG11      VAL  51   5.435  -9.671  -1.497
  348   2HG2  VAL  51          HG12      VAL  51   5.346  -7.909  -1.482
  349   3HG2  VAL  51          HG13      VAL  51   4.842  -8.805  -2.914
  350    H    LEU  52           HN       LEU  52   0.693  -8.891  -2.868
  351    HA   LEU  52           HA       LEU  52  -1.518  -7.614  -1.568
  352   1HB   LEU  52          HB2       LEU  52  -1.533  -8.848  -3.726
  353   2HB   LEU  52          HB1       LEU  52  -1.282 -10.352  -2.849
  354    HG   LEU  52           HG       LEU  52  -3.454 -10.395  -2.027
  355   1HD1  LEU  52          HD11      LEU  52  -3.530  -7.375  -2.352
  356   2HD1  LEU  52          HD12      LEU  52  -3.480  -8.270  -0.834
  357   3HD1  LEU  52          HD13      LEU  52  -4.914  -8.349  -1.856
  358   1HD2  LEU  52          HD21      LEU  52  -3.494  -8.824  -4.597
  359   2HD2  LEU  52          HD22      LEU  52  -4.967  -9.449  -3.858
  360   3HD2  LEU  52          HD23      LEU  52  -3.705 -10.562  -4.388
  361    H    TYR  53           HN       TYR  53  -1.990  -7.791   0.585
  362    HA   TYR  53           HA       TYR  53  -0.945  -9.952   2.240
  363   1HB   TYR  53          HB2       TYR  53  -1.405  -7.483   2.817
  364   2HB   TYR  53          HB1       TYR  53  -3.107  -7.934   2.908
  365    HD1  TYR  53           HD1      TYR  53  -3.950  -8.631   4.968
  366    HD2  TYR  53           HD2      TYR  53   0.237  -9.114   4.144
  367    HE1  TYR  53           HE1      TYR  53  -3.595  -9.489   7.268
  368    HE2  TYR  53           HE2      TYR  53   0.592  -9.973   6.442
  369    HH   TYR  53           HH       TYR  53  -0.741  -9.627   8.757
  370    H    GLU  54           HN       GLU  54  -1.927 -11.908   2.532
  371    HA   GLU  54           HA       GLU  54  -4.899 -12.079   2.325
  372   1HB   GLU  54          HB1       GLU  54  -4.588 -14.085   0.864
  373   2HB   GLU  54          HB2       GLU  54  -3.932 -12.624   0.125
  374   1HG   GLU  54          HG2       GLU  54  -1.779 -13.365   0.271
  375   2HG   GLU  54          HG1       GLU  54  -2.044 -14.120   1.843
  376    H    GLU  55           HN       GLU  55  -5.726 -14.093   3.335
  377    HA   GLU  55           HA       GLU  55  -3.809 -15.208   5.358
  378   1HB   GLU  55          HB1       GLU  55  -5.705 -13.625   6.074
  379   2HB   GLU  55          HB2       GLU  55  -6.817 -14.915   5.615
  380   1HG   GLU  55          HG2       GLU  55  -6.502 -15.446   7.847
  381   2HG   GLU  55          HG1       GLU  55  -5.183 -16.374   7.133
  382    H    LYS  56           HN       LYS  56  -3.310 -17.034   3.966
  383    HA   LYS  56           HA       LYS  56  -3.661 -19.197   3.085
  384   1HB   LYS  56          HB2       LYS  56  -5.684 -18.916   5.325
  385   2HB   LYS  56          HB1       LYS  56  -5.427 -20.444   4.483
  386   1HG   LYS  56          HG1       LYS  56  -2.853 -19.723   5.042
  387   2HG   LYS  56          HG2       LYS  56  -3.697 -19.048   6.437
  388   1HD   LYS  56          HD1       LYS  56  -4.235 -21.106   7.263
  389   2HD   LYS  56          HD2       LYS  56  -4.535 -21.779   5.662
  390   1HE   LYS  56          HE2       LYS  56  -2.013 -21.767   5.302
  391   2HE   LYS  56          HE1       LYS  56  -1.853 -21.380   7.025
  392   1HZ   LYS  56          HZ1       LYS  56  -1.883 -23.827   6.447
  393   2HZ   LYS  56          HZ2       LYS  56  -3.515 -23.628   6.026
  394   3HZ   LYS  56          HZ3       LYS  56  -3.009 -23.336   7.620
  Start of MODEL   18
    1    H    ALA   1           HT1      ALA   1 -15.145  -3.830   1.772
    2    HA   ALA   1           HA       ALA   1 -13.420  -5.454   0.894
    3   1HB   ALA   1          HB1       ALA   1 -15.002  -3.338  -0.542
    4   2HB   ALA   1          HB2       ALA   1 -15.309  -5.072  -0.433
    5   3HB   ALA   1          HB3       ALA   1 -14.039  -4.465  -1.496
    6    H    TYR   2           HN       TYR   2 -11.963  -2.901   1.904
    7    HA   TYR   2           HA       TYR   2 -10.285  -2.051  -0.321
    8   1HB   TYR   2          HB2       TYR   2 -10.313  -1.744   2.688
    9   2HB   TYR   2          HB1       TYR   2  -8.978  -1.106   1.727
   10    HD1  TYR   2           HD1      TYR   2  -9.753   0.257  -0.441
   11    HD2  TYR   2           HD2      TYR   2 -12.134  -0.346   3.083
   12    HE1  TYR   2           HE1      TYR   2 -11.123   2.241  -1.027
   13    HE2  TYR   2           HE2      TYR   2 -13.503   1.637   2.497
   14    HH   TYR   2           HH       TYR   2 -12.688   3.954   0.660
   15    H    LEU   3           HN       LEU   3  -8.316  -2.893  -0.928
   16    HA   LEU   3           HA       LEU   3  -7.531  -5.509   0.136
   17   1HB   LEU   3          HB1       LEU   3  -6.889  -3.680  -2.121
   18   2HB   LEU   3          HB2       LEU   3  -5.585  -4.757  -1.621
   19    HG   LEU   3           HG       LEU   3  -7.234  -6.668  -1.757
   20   1HD1  LEU   3          HD11      LEU   3  -9.330  -5.520  -1.593
   21   2HD1  LEU   3          HD12      LEU   3  -9.249  -6.156  -3.235
   22   3HD1  LEU   3          HD13      LEU   3  -8.922  -4.449  -2.934
   23   1HD2  LEU   3          HD21      LEU   3  -7.309  -5.573  -4.483
   24   2HD2  LEU   3          HD22      LEU   3  -6.518  -7.029  -3.880
   25   3HD2  LEU   3          HD23      LEU   3  -5.720  -5.463  -3.727
   26    H    LYS   4           HN       LYS   4  -5.168  -5.871   0.712
   27    HA   LYS   4           HA       LYS   4  -3.914  -3.499   2.030
   28   1HB   LYS   4          HB1       LYS   4  -4.862  -6.107   3.188
   29   2HB   LYS   4          HB2       LYS   4  -3.443  -5.336   3.895
   30   1HG   LYS   4          HG2       LYS   4  -4.899  -4.093   5.102
   31   2HG   LYS   4          HG1       LYS   4  -5.236  -3.233   3.599
   32   1HD   LYS   4          HD1       LYS   4  -7.379  -3.919   3.981
   33   2HD   LYS   4          HD2       LYS   4  -6.811  -5.437   3.284
   34   1HE   LYS   4          HE2       LYS   4  -7.781  -6.131   5.327
   35   2HE   LYS   4          HE1       LYS   4  -6.065  -5.975   5.753
   36   1HZ   LYS   4          HZ1       LYS   4  -6.648  -3.549   6.224
   37   2HZ   LYS   4          HZ2       LYS   4  -7.177  -4.700   7.356
   38   3HZ   LYS   4          HZ3       LYS   4  -8.270  -4.053   6.228
   39    H    TRP   5           HN       TRP   5  -1.801  -3.394   1.399
   40    HA   TRP   5           HA       TRP   5  -0.530  -5.829   0.229
   41   1HB   TRP   5          HB2       TRP   5   0.289  -2.898   0.222
   42   2HB   TRP   5          HB1       TRP   5   0.996  -4.173  -0.766
   43    HD1  TRP   5           HD1      TRP   5  -2.465  -2.535  -0.203
   44    HE1  TRP   5           HE1      TRP   5  -3.708  -2.508  -2.454
   45    HE3  TRP   5           HE3      TRP   5   0.936  -4.996  -3.108
   46    HZ2  TRP   5           HZ2      TRP   5  -3.315  -3.415  -5.142
   47    HZ3  TRP   5           HZ3      TRP   5   0.477  -5.401  -5.509
   48    HH2  TRP   5           HH2      TRP   5  -1.640  -4.614  -6.529
   49    H    ILE   6           HN       ILE   6   1.384  -6.673   1.138
   50    HA   ILE   6           HA       ILE   6   2.222  -5.443   3.728
   51    HB   ILE   6           HB       ILE   6   1.299  -7.804   3.578
   52   1HG1  ILE   6          HG11      ILE   6   2.570  -7.062   5.520
   53   2HG1  ILE   6          HG12      ILE   6   2.973  -8.728   5.137
   54   1HG2  ILE   6          HG21      ILE   6   2.687  -8.252   1.433
   55   2HG2  ILE   6          HG22      ILE   6   2.559  -9.548   2.623
   56   3HG2  ILE   6          HG23      ILE   6   4.021  -8.564   2.543
   57   1HD1  ILE   6          HD11      ILE   6   4.877  -7.571   3.692
   58   2HD1  ILE   6          HD12      ILE   6   5.094  -7.890   5.410
   59   3HD1  ILE   6          HD13      ILE   6   4.637  -6.274   4.864
   60    H    CYS   7           HN       CYS   7   4.226  -4.518   3.793
   61    HA   CYS   7           HA       CYS   7   5.969  -4.556   1.442
   62   1HB   CYS   7          HB2       CYS   7   5.514  -2.672   3.161
   63   2HB   CYS   7          HB1       CYS   7   6.583  -3.567   4.239
   64    H    ILE   8           HN       ILE   8   6.473  -6.873   1.327
   65    HA   ILE   8           HA       ILE   8   7.404  -8.537   3.358
   66    HB   ILE   8           HB       ILE   8   6.926  -9.207   1.046
   67   1HG1  ILE   8          HG12      ILE   8   9.768  -9.923   1.173
   68   2HG1  ILE   8          HG11      ILE   8   8.871 -10.251   2.654
   69   1HG2  ILE   8          HG21      ILE   8   9.545  -8.336   0.055
   70   2HG2  ILE   8          HG22      ILE   8   8.423  -7.026   0.405
   71   3HG2  ILE   8          HG23      ILE   8   7.971  -8.291  -0.738
   72   1HD1  ILE   8          HD11      ILE   8   8.911 -12.106   0.853
   73   2HD1  ILE   8          HD12      ILE   8   7.815 -11.066  -0.056
   74   3HD1  ILE   8          HD13      ILE   8   7.341 -11.675   1.530
   75    H    THR   9           HN       THR   9   9.030  -5.835   1.892
   76    HA   THR   9           HA       THR   9  11.731  -6.508   2.561
   77    HB   THR   9           HB       THR   9  10.242  -3.881   2.207
   78    HG1  THR   9           HG1      THR   9  10.225  -5.130   0.371
   79   1HG2  THR   9          HG21      THR   9  13.123  -4.514   2.686
   80   2HG2  THR   9          HG22      THR   9  12.185  -3.104   3.182
   81   3HG2  THR   9          HG23      THR   9  12.743  -3.251   1.515
   82    H    CYS  10           HN       CYS  10   9.100  -5.041   4.446
   83    HA   CYS  10           HA       CYS  10  10.899  -5.173   6.832
   84   1HB   CYS  10          HB1       CYS  10   9.992  -2.915   7.465
   85   2HB   CYS  10          HB2       CYS  10  10.933  -2.897   5.974
   86    H    GLY  11           HN       GLY  11   7.684  -5.675   5.545
   87   1HA   GLY  11          HA2       GLY  11   6.173  -7.122   6.801
   88   2HA   GLY  11          HA1       GLY  11   6.839  -6.460   8.291
   89    H    HIS  12           HN       HIS  12   6.707  -3.670   7.182
   90    HA   HIS  12           HA       HIS  12   4.273  -2.803   8.279
   91   1HB   HIS  12          HB1       HIS  12   6.504  -1.757   6.870
   92   2HB   HIS  12          HB2       HIS  12   5.070  -1.152   6.041
   93    HD1  HIS  12           HD1      HIS  12   3.613   0.548   7.272
   94    HD2  HIS  12           HD2      HIS  12   6.672  -0.983   9.656
   95    HE1  HIS  12           HE1      HIS  12   3.649   1.952   9.380
   96    H    ILE  13           HN       ILE  13   2.177  -2.734   7.539
   97    HA   ILE  13           HA       ILE  13   1.680  -3.782   4.779
   98    HB   ILE  13           HB       ILE  13   0.102  -3.771   7.377
   99   1HG1  ILE  13          HG11      ILE  13   0.598  -6.254   5.861
  100   2HG1  ILE  13          HG12      ILE  13   2.050  -5.466   6.477
  101   1HG2  ILE  13          HG21      ILE  13  -1.618  -3.516   5.781
  102   2HG2  ILE  13          HG22      ILE  13  -1.486  -5.267   5.950
  103   3HG2  ILE  13          HG23      ILE  13  -0.751  -4.458   4.567
  104   1HD1  ILE  13          HD11      ILE  13  -0.236  -6.677   7.972
  105   2HD1  ILE  13          HD12      ILE  13   0.548  -5.265   8.680
  106   3HD1  ILE  13          HD13      ILE  13   1.488  -6.717   8.338
  107    H    TYR  14           HN       TYR  14   0.375  -2.622   3.386
  108    HA   TYR  14           HA       TYR  14  -0.328   0.167   4.168
  109   1HB   TYR  14          HB1       TYR  14   1.015  -0.115   2.158
  110   2HB   TYR  14          HB2       TYR  14  -0.089  -1.341   1.535
  111    HD1  TYR  14           HD1      TYR  14   0.074   2.248   2.563
  112    HD2  TYR  14           HD2      TYR  14  -1.935  -0.719   0.192
  113    HE1  TYR  14           HE1      TYR  14  -1.281   4.025   1.488
  114    HE2  TYR  14           HE2      TYR  14  -3.289   1.058  -0.883
  115    HH   TYR  14           HH       TYR  14  -4.050   3.392  -0.299
  116    H    ASP  15           HN       ASP  15  -2.438   0.550   4.715
  117    HA   ASP  15           HA       ASP  15  -4.500  -1.457   3.919
  118   1HB   ASP  15          HB1       ASP  15  -4.583   0.792   5.965
  119   2HB   ASP  15          HB2       ASP  15  -5.734  -0.535   5.816
  120    H    GLU  16           HN       GLU  16  -5.410  -0.842   1.983
  121    HA   GLU  16           HA       GLU  16  -5.508   1.648   0.758
  122   1HB   GLU  16          HB2       GLU  16  -7.228  -0.813   0.807
  123   2HB   GLU  16          HB1       GLU  16  -7.785   0.580  -0.115
  124   1HG   GLU  16          HG2       GLU  16  -5.471   0.613  -1.202
  125   2HG   GLU  16          HG1       GLU  16  -5.214  -0.971  -0.471
  126    H    ALA  17           HN       ALA  17  -7.436   0.520   3.464
  127    HA   ALA  17           HA       ALA  17  -9.302   2.815   3.269
  128   1HB   ALA  17          HB1       ALA  17  -9.110   0.770   5.485
  129   2HB   ALA  17          HB2       ALA  17  -9.790   0.331   3.919
  130   3HB   ALA  17          HB3       ALA  17 -10.545   1.600   4.883
  131    H    LEU  18           HN       LEU  18  -6.282   2.954   3.984
  132    HA   LEU  18           HA       LEU  18  -6.478   5.068   5.934
  133   1HB   LEU  18          HB1       LEU  18  -6.871   2.703   7.099
  134   2HB   LEU  18          HB2       LEU  18  -5.110   2.625   7.033
  135    HG   LEU  18           HG       LEU  18  -5.303   5.090   8.006
  136   1HD1  LEU  18          HD11      LEU  18  -7.961   4.517   7.848
  137   2HD1  LEU  18          HD12      LEU  18  -7.276   5.660   9.003
  138   3HD1  LEU  18          HD13      LEU  18  -7.618   4.003   9.500
  139   1HD2  LEU  18          HD21      LEU  18  -4.129   3.630   9.363
  140   2HD2  LEU  18          HD22      LEU  18  -5.408   2.417   9.344
  141   3HD2  LEU  18          HD23      LEU  18  -5.570   3.853  10.356
  142    H    GLY  19           HN       GLY  19  -5.201   5.295   3.637
  143   1HA   GLY  19          HA1       GLY  19  -2.508   4.298   3.528
  144   2HA   GLY  19          HA2       GLY  19  -3.136   5.643   2.577
  145    H    ASP  20           HN       ASP  20  -1.518   7.149   2.893
  146    HA   ASP  20           HA       ASP  20  -0.633   7.739   5.675
  147   1HB   ASP  20          HB1       ASP  20   0.447   7.800   2.937
  148   2HB   ASP  20          HB2       ASP  20   0.851   9.243   3.869
  149    H    GLU  21           HN       GLU  21  -0.215  10.182   6.033
  150    HA   GLU  21           HA       GLU  21  -2.614  11.698   5.083
  151   1HB   GLU  21          HB1       GLU  21  -1.044  11.433   7.582
  152   2HB   GLU  21          HB2       GLU  21  -1.539  13.082   7.198
  153   1HG   GLU  21          HG1       GLU  21  -3.628  11.012   6.836
  154   2HG   GLU  21          HG2       GLU  21  -3.130  11.298   8.503
  155    H    ALA  22           HN       ALA  22   0.885  12.072   5.734
  156    HA   ALA  22           HA       ALA  22   1.226  14.722   4.819
  157   1HB   ALA  22          HB1       ALA  22   3.046  12.301   4.534
  158   2HB   ALA  22          HB2       ALA  22   2.905  13.302   5.979
  159   3HB   ALA  22          HB3       ALA  22   3.571  13.984   4.496
  160    H    GLU  23           HN       GLU  23   1.680  11.703   2.925
  161    HA   GLU  23           HA       GLU  23   2.114  12.957   0.406
  162   1HB   GLU  23          HB1       GLU  23   2.541  10.569   1.053
  163   2HB   GLU  23          HB2       GLU  23   0.800  10.290   1.048
  164   1HG   GLU  23          HG1       GLU  23   1.276   9.648  -1.118
  165   2HG   GLU  23          HG2       GLU  23   1.025  11.372  -1.391
  166    H    GLY  24           HN       GLY  24  -0.789  12.603   2.263
  167   1HA   GLY  24          HA2       GLY  24  -2.886  13.630   1.765
  168   2HA   GLY  24          HA1       GLY  24  -2.330  13.902   0.111
  169    H    PHE  25           HN       PHE  25  -2.051  10.788   1.703
  170    HA   PHE  25           HA       PHE  25  -3.564   9.500  -0.444
  171   1HB   PHE  25          HB1       PHE  25  -1.619   8.906   1.607
  172   2HB   PHE  25          HB2       PHE  25  -2.953   7.772   1.750
  173    HD1  PHE  25           HD1      PHE  25  -1.900   9.346  -1.447
  174    HD2  PHE  25           HD2      PHE  25  -1.751   5.844   1.023
  175    HE1  PHE  25           HE1      PHE  25  -0.981   8.046  -3.351
  176    HE2  PHE  25           HE2      PHE  25  -0.836   4.537  -0.878
  177    HZ   PHE  25           HZ       PHE  25  -0.450   5.639  -3.065
  178    H    THR  26           HN       THR  26  -5.646  10.656   0.106
  179    HA   THR  26           HA       THR  26  -7.071  10.464   2.506
  180    HB   THR  26           HB       THR  26  -7.633  11.723   0.420
  181    HG1  THR  26           HG1      THR  26  -9.632  11.747   1.063
  182   1HG2  THR  26          HG21      THR  26  -8.741   9.099  -0.583
  183   2HG2  THR  26          HG22      THR  26  -7.162   9.714  -1.065
  184   3HG2  THR  26          HG23      THR  26  -8.621  10.624  -1.458
  185    HA   PRO  27           HA       PRO  27  -7.916   6.197   3.155
  186   1HB   PRO  27          HB2       PRO  27 -10.558   6.434   4.074
  187   2HB   PRO  27          HB1       PRO  27  -9.106   6.575   5.079
  188   1HG   PRO  27          HG1       PRO  27 -10.832   8.694   3.927
  189   2HG   PRO  27          HG2       PRO  27  -9.939   8.668   5.454
  190   1HD   PRO  27          HD1       PRO  27  -9.122  10.085   3.295
  191   2HD   PRO  27          HD2       PRO  27  -7.988   9.387   4.472
  192    H    GLY  28           HN       GLY  28  -8.263   4.918   1.385
  193   1HA   GLY  28          HA2       GLY  28 -10.303   3.853   0.202
  194   2HA   GLY  28          HA1       GLY  28 -10.634   5.499  -0.336
  195    H    THR  29           HN       THR  29  -7.621   5.946  -0.508
  196    HA   THR  29           HA       THR  29  -7.261   5.540  -3.280
  197    HB   THR  29           HB       THR  29  -5.237   5.696  -1.013
  198    HG1  THR  29           HG1      THR  29  -5.401   7.861  -1.289
  199   1HG2  THR  29          HG21      THR  29  -3.737   6.625  -2.770
  200   2HG2  THR  29          HG22      THR  29  -4.971   6.271  -3.980
  201   3HG2  THR  29          HG23      THR  29  -4.194   4.954  -3.103
  202    H    ARG  30           HN       ARG  30  -6.775   3.732  -4.456
  203    HA   ARG  30           HA       ARG  30  -5.959   1.264  -2.971
  204   1HB   ARG  30          HB2       ARG  30  -7.326   1.788  -5.635
  205   2HB   ARG  30          HB1       ARG  30  -6.868   0.177  -5.077
  206   1HG   ARG  30          HG1       ARG  30  -8.192   0.883  -2.906
  207   2HG   ARG  30          HG2       ARG  30  -8.965   2.034  -3.997
  208   1HD   ARG  30          HD2       ARG  30  -9.761   0.270  -5.431
  209   2HD   ARG  30          HD1       ARG  30  -8.765  -0.937  -4.595
  210    HE   ARG  30           HE       ARG  30 -10.367  -0.965  -2.850
  211   1HH1  ARG  30          HH21      ARG  30 -10.766   1.848  -4.863
  212   2HH1  ARG  30          HH22      ARG  30 -12.224   2.341  -4.075
  213   1HH2  ARG  30          HH12      ARG  30 -12.263  -0.302  -1.843
  214   2HH2  ARG  30          HH11      ARG  30 -13.066   1.135  -2.380
  215    H    PHE  31           HN       PHE  31  -4.161   0.052  -3.759
  216    HA   PHE  31           HA       PHE  31  -1.906   1.370  -4.756
  217   1HB   PHE  31          HB1       PHE  31  -2.852  -1.321  -4.273
  218   2HB   PHE  31          HB2       PHE  31  -1.881  -1.289  -5.745
  219    HD1  PHE  31           HD1      PHE  31   0.266  -2.058  -5.248
  220    HD2  PHE  31           HD2      PHE  31  -1.668   0.663  -2.545
  221    HE1  PHE  31           HE1      PHE  31   2.332  -1.947  -3.883
  222    HE2  PHE  31           HE2      PHE  31   0.400   0.775  -1.180
  223    HZ   PHE  31           HZ       PHE  31   2.401  -0.532  -1.850
  224    H    GLU  32           HN       GLU  32  -4.469  -0.274  -6.614
  225    HA   GLU  32           HA       GLU  32  -3.359  -0.268  -9.186
  226   1HB   GLU  32          HB1       GLU  32  -5.507  -1.256  -8.541
  227   2HB   GLU  32          HB2       GLU  32  -6.186   0.346  -8.262
  228   1HG   GLU  32          HG2       GLU  32  -6.813   0.367 -10.430
  229   2HG   GLU  32          HG1       GLU  32  -5.104   0.441 -10.857
  230    H    ASP  33           HN       ASP  33  -5.109   2.384  -7.551
  231    HA   ASP  33           HA       ASP  33  -4.658   4.226  -9.794
  232   1HB   ASP  33          HB2       ASP  33  -5.914   4.282  -7.054
  233   2HB   ASP  33          HB1       ASP  33  -5.624   5.797  -7.910
  234    H    ILE  34           HN       ILE  34  -2.560   3.002  -7.563
  235    HA   ILE  34           HA       ILE  34  -1.186   5.610  -7.068
  236    HB   ILE  34           HB       ILE  34  -0.943   2.836  -5.850
  237   1HG1  ILE  34          HG12      ILE  34  -1.914   5.411  -4.597
  238   2HG1  ILE  34          HG11      ILE  34  -3.000   4.240  -5.343
  239   1HG2  ILE  34          HG21      ILE  34   1.203   4.174  -5.905
  240   2HG2  ILE  34          HG22      ILE  34   0.625   3.790  -4.283
  241   3HG2  ILE  34          HG23      ILE  34   0.383   5.406  -4.947
  242   1HD1  ILE  34          HD11      ILE  34  -2.292   4.165  -2.719
  243   2HD1  ILE  34          HD12      ILE  34  -1.046   3.125  -3.412
  244   3HD1  ILE  34          HD13      ILE  34  -2.749   2.733  -3.641
  245    HA   PRO  35           HA       PRO  35   1.301   3.921 -10.495
  246   1HB   PRO  35          HB2       PRO  35   2.625   6.335 -10.912
  247   2HB   PRO  35          HB1       PRO  35   1.109   5.872 -11.704
  248   1HG   PRO  35          HG2       PRO  35   1.566   7.654  -9.371
  249   2HG   PRO  35          HG1       PRO  35   0.369   7.775 -10.668
  250   1HD   PRO  35          HD1       PRO  35  -0.232   6.906  -8.166
  251   2HD   PRO  35          HD2       PRO  35  -1.097   6.355  -9.615
  252    H    ASP  36           HN       ASP  36   3.916   4.846 -10.782
  253    HA   ASP  36           HA       ASP  36   5.218   3.618  -8.479
  254   1HB   ASP  36          HB1       ASP  36   7.238   4.041  -9.869
  255   2HB   ASP  36          HB2       ASP  36   5.943   3.324 -10.828
  256    H    ASP  37           HN       ASP  37   4.095   6.759  -9.010
  257    HA   ASP  37           HA       ASP  37   6.252   8.357  -8.002
  258   1HB   ASP  37          HB2       ASP  37   3.814   8.776  -9.115
  259   2HB   ASP  37          HB1       ASP  37   3.417   9.081  -7.424
  260    H    TRP  38           HN       TRP  38   3.726   6.464  -6.412
  261    HA   TRP  38           HA       TRP  38   4.304   7.564  -3.750
  262   1HB   TRP  38          HB1       TRP  38   2.056   6.844  -4.409
  263   2HB   TRP  38          HB2       TRP  38   2.655   5.230  -4.788
  264    HD1  TRP  38           HD1      TRP  38   1.956   7.553  -1.827
  265    HE1  TRP  38           HE1      TRP  38   1.814   6.131   0.320
  266    HE3  TRP  38           HE3      TRP  38   3.369   3.012  -3.683
  267    HZ2  TRP  38           HZ2      TRP  38   2.245   3.424   1.140
  268    HZ3  TRP  38           HZ3      TRP  38   3.495   1.031  -2.201
  269    HH2  TRP  38           HH2      TRP  38   2.935   1.231   0.207
  270    H    CYS  39           HN       CYS  39   4.923   5.984  -1.960
  271    HA   CYS  39           HA       CYS  39   6.459   3.604  -2.773
  272   1HB   CYS  39          HB2       CYS  39   8.581   4.573  -1.866
  273   2HB   CYS  39          HB1       CYS  39   7.982   5.477  -3.249
  274    HG   CYS  39           HG       CYS  39   8.155   7.418  -1.699
  275    H    CYS  40           HN       CYS  40   8.025   3.417  -0.444
  276    HA   CYS  40           HA       CYS  40   5.918   2.865   1.573
  277   1HB   CYS  40          HB1       CYS  40   7.881   1.340   0.624
  278   2HB   CYS  40          HB2       CYS  40   8.830   2.178   1.851
  279    HA   PRO  41           HA       PRO  41   7.276   6.379   3.907
  280   1HB   PRO  41          HB2       PRO  41   5.963   5.839   6.249
  281   2HB   PRO  41          HB1       PRO  41   5.133   6.426   4.797
  282   1HG   PRO  41          HG1       PRO  41   5.289   3.677   5.917
  283   2HG   PRO  41          HG2       PRO  41   3.949   4.487   5.096
  284   1HD   PRO  41          HD1       PRO  41   5.634   2.641   3.925
  285   2HD   PRO  41          HD2       PRO  41   4.677   3.845   3.037
  286    H    ASP  42           HN       ASP  42   8.270   3.207   4.483
  287    HA   ASP  42           HA       ASP  42  10.133   4.139   6.639
  288   1HB   ASP  42          HB2       ASP  42   8.081   2.589   7.195
  289   2HB   ASP  42          HB1       ASP  42   9.066   1.325   6.459
  290    H    CYS  43           HN       CYS  43  10.161   3.411   3.521
  291    HA   CYS  43           HA       CYS  43  12.830   2.109   3.687
  292   1HB   CYS  43          HB1       CYS  43  10.366   1.077   2.252
  293   2HB   CYS  43          HB2       CYS  43  11.991   0.543   1.824
  294    H    GLY  44           HN       GLY  44  10.525   2.721   1.021
  295   1HA   GLY  44          HA2       GLY  44  10.825   4.852  -0.298
  296   2HA   GLY  44          HA1       GLY  44  12.560   4.583  -0.136
  297    H    ALA  45           HN       ALA  45  10.221   2.014  -0.766
  298    HA   ALA  45           HA       ALA  45  11.523   1.628  -3.441
  299   1HB   ALA  45          HB1       ALA  45   9.988  -0.498  -1.979
  300   2HB   ALA  45          HB2       ALA  45  11.572  -0.037  -1.356
  301   3HB   ALA  45          HB3       ALA  45  11.418  -0.662  -2.998
  302    H    THR  46           HN       THR  46   9.778  -0.029  -4.665
  303    HA   THR  46           HA       THR  46   7.290   1.623  -4.895
  304    HB   THR  46           HB       THR  46   7.247   0.735  -7.186
  305    HG1  THR  46           HG1      THR  46   8.419  -0.938  -7.750
  306   1HG2  THR  46          HG21      THR  46   8.738   2.667  -6.703
  307   2HG2  THR  46          HG22      THR  46   9.353   1.668  -8.020
  308   3HG2  THR  46          HG23      THR  46  10.066   1.543  -6.412
  309    H    LYS  47           HN       LYS  47   5.733  -0.268  -6.264
  310    HA   LYS  47           HA       LYS  47   4.561  -1.803  -4.177
  311   1HB   LYS  47          HB2       LYS  47   3.382  -1.196  -6.219
  312   2HB   LYS  47          HB1       LYS  47   4.560  -2.054  -7.210
  313   1HG   LYS  47          HG1       LYS  47   3.868  -4.191  -6.220
  314   2HG   LYS  47          HG2       LYS  47   2.729  -3.351  -5.167
  315   1HD   LYS  47          HD1       LYS  47   1.206  -3.074  -6.836
  316   2HD   LYS  47          HD2       LYS  47   2.445  -2.710  -8.035
  317   1HE   LYS  47          HE2       LYS  47   3.000  -5.123  -8.191
  318   2HE   LYS  47          HE1       LYS  47   1.734  -5.481  -7.000
  319   1HZ   LYS  47          HZ1       LYS  47   1.441  -4.314  -9.708
  320   2HZ   LYS  47          HZ2       LYS  47   0.230  -4.136  -8.531
  321   3HZ   LYS  47          HZ3       LYS  47   0.672  -5.686  -9.066
  322    H    GLU  48           HN       GLU  48   7.375  -2.416  -6.136
  323    HA   GLU  48           HA       GLU  48   7.521  -5.216  -6.248
  324   1HB   GLU  48          HB2       GLU  48   9.508  -2.976  -5.865
  325   2HB   GLU  48          HB1       GLU  48  10.065  -4.649  -5.920
  326   1HG   GLU  48          HG2       GLU  48   8.939  -4.941  -8.108
  327   2HG   GLU  48          HG1       GLU  48   8.415  -3.258  -8.055
  328    H    ASP  49           HN       ASP  49   8.308  -3.064  -3.515
  329    HA   ASP  49           HA       ASP  49   9.151  -5.260  -1.779
  330   1HB   ASP  49          HB2       ASP  49   8.551  -2.307  -1.503
  331   2HB   ASP  49          HB1       ASP  49   8.929  -3.290  -0.089
  332    H    TYR  50           HN       TYR  50   6.145  -3.672  -2.582
  333    HA   TYR  50           HA       TYR  50   4.758  -4.795  -0.217
  334   1HB   TYR  50          HB1       TYR  50   4.303  -2.778  -2.371
  335   2HB   TYR  50          HB2       TYR  50   2.874  -3.556  -1.702
  336    HD1  TYR  50           HD1      TYR  50   2.692  -3.651   0.889
  337    HD2  TYR  50           HD2      TYR  50   5.297  -0.985  -1.238
  338    HE1  TYR  50           HE1      TYR  50   2.828  -2.191   2.892
  339    HE2  TYR  50           HE2      TYR  50   5.435   0.479   0.763
  340    HH   TYR  50           HH       TYR  50   4.644  -0.446   3.771
  341    H    VAL  51           HN       VAL  51   3.386  -6.553  -0.365
  342    HA   VAL  51           HA       VAL  51   2.967  -7.736  -3.091
  343    HB   VAL  51           HB       VAL  51   3.459  -9.028  -0.382
  344   1HG1  VAL  51          HG21      VAL  51   2.941 -10.302  -3.088
  345   2HG1  VAL  51          HG22      VAL  51   1.842 -10.336  -1.708
  346   3HG1  VAL  51          HG23      VAL  51   3.394 -11.169  -1.621
  347   1HG2  VAL  51          HG11      VAL  51   5.211  -8.070  -2.385
  348   2HG2  VAL  51          HG12      VAL  51   5.210  -9.827  -2.534
  349   3HG2  VAL  51          HG13      VAL  51   5.626  -9.073  -0.995
  350    H    LEU  52           HN       LEU  52   0.946  -9.022  -3.262
  351    HA   LEU  52           HA       LEU  52  -1.319  -7.658  -2.075
  352   1HB   LEU  52          HB2       LEU  52  -0.904  -8.976  -4.345
  353   2HB   LEU  52          HB1       LEU  52  -1.447 -10.356  -3.398
  354    HG   LEU  52           HG       LEU  52  -3.344  -9.295  -4.558
  355   1HD1  LEU  52          HD11      LEU  52  -3.616  -8.510  -1.669
  356   2HD1  LEU  52          HD12      LEU  52  -3.414 -10.206  -2.107
  357   3HD1  LEU  52          HD13      LEU  52  -4.794  -9.295  -2.721
  358   1HD2  LEU  52          HD21      LEU  52  -2.141  -6.985  -4.438
  359   2HD2  LEU  52          HD22      LEU  52  -2.913  -6.844  -2.859
  360   3HD2  LEU  52          HD23      LEU  52  -3.899  -7.022  -4.311
  361    H    TYR  53           HN       TYR  53  -1.456  -7.944   0.149
  362    HA   TYR  53           HA       TYR  53  -0.861 -10.405   1.526
  363   1HB   TYR  53          HB2       TYR  53  -1.138  -7.839   2.229
  364   2HB   TYR  53          HB1       TYR  53  -2.785  -8.361   2.586
  365    HD1  TYR  53           HD1      TYR  53   0.622  -9.906   2.957
  366    HD2  TYR  53           HD2      TYR  53  -3.089  -8.843   4.842
  367    HE1  TYR  53           HE1      TYR  53   1.407 -10.926   5.076
  368    HE2  TYR  53           HE2      TYR  53  -2.304  -9.865   6.961
  369    HH   TYR  53           HH       TYR  53  -0.627 -11.657   7.626
  370    H    GLU  54           HN       GLU  54  -2.479 -11.753   2.662
  371    HA   GLU  54           HA       GLU  54  -4.801 -12.330   0.934
  372   1HB   GLU  54          HB1       GLU  54  -3.045 -13.902   2.166
  373   2HB   GLU  54          HB2       GLU  54  -4.159 -13.724   3.521
  374   1HG   GLU  54          HG2       GLU  54  -5.251 -15.470   2.544
  375   2HG   GLU  54          HG1       GLU  54  -5.900 -14.228   1.473
  376    H    GLU  55           HN       GLU  55  -6.981 -12.536   1.872
  377    HA   GLU  55           HA       GLU  55  -7.800 -10.292   3.437
  378   1HB   GLU  55          HB2       GLU  55  -8.909 -12.707   2.193
  379   2HB   GLU  55          HB1       GLU  55  -9.772 -12.253   3.663
  380   1HG   GLU  55          HG1       GLU  55 -10.827 -11.082   1.844
  381   2HG   GLU  55          HG2       GLU  55  -9.884  -9.891   2.742
  382    H    LYS  56           HN       LYS  56  -9.309 -10.896   5.496
  383    HA   LYS  56           HA       LYS  56  -7.950 -12.857   7.267
  384   1HB   LYS  56          HB2       LYS  56  -6.824 -10.547   7.298
  385   2HB   LYS  56          HB1       LYS  56  -8.308  -9.944   8.034
  386   1HG   LYS  56          HG2       LYS  56  -7.352 -12.383   9.328
  387   2HG   LYS  56          HG1       LYS  56  -6.153 -11.090   9.386
  388   1HD   LYS  56          HD2       LYS  56  -7.319 -10.171  11.080
  389   2HD   LYS  56          HD1       LYS  56  -8.631  -9.859   9.944
  390   1HE   LYS  56          HE2       LYS  56  -9.886 -11.297  11.180
  391   2HE   LYS  56          HE1       LYS  56  -8.847 -12.598  10.571
  392   1HZ   LYS  56          HZ1       LYS  56  -8.143 -10.857  12.875
  393   2HZ   LYS  56          HZ2       LYS  56  -7.325 -12.251  12.356
  394   3HZ   LYS  56          HZ3       LYS  56  -8.871 -12.381  13.046
  Start of MODEL   19
    1    H    ALA   1           HT1      ALA   1 -14.016  -3.875   0.655
    2    HA   ALA   1           HA       ALA   1 -14.259  -3.989  -2.311
    3   1HB   ALA   1          HB1       ALA   1 -14.938  -1.675  -2.081
    4   2HB   ALA   1          HB2       ALA   1 -14.551  -1.679  -0.360
    5   3HB   ALA   1          HB3       ALA   1 -15.924  -2.611  -0.957
    6    H    TYR   2           HN       TYR   2 -12.717  -2.159   0.367
    7    HA   TYR   2           HA       TYR   2 -10.448  -1.349  -1.212
    8   1HB   TYR   2          HB2       TYR   2 -11.086  -1.521   1.748
    9   2HB   TYR   2          HB1       TYR   2  -9.569  -0.843   1.157
   10    HD1  TYR   2           HD1      TYR   2 -10.222   0.654  -1.183
   11    HD2  TYR   2           HD2      TYR   2 -12.520   0.192   2.414
   12    HE1  TYR   2           HE1      TYR   2 -11.360   2.810  -1.636
   13    HE2  TYR   2           HE2      TYR   2 -13.660   2.348   1.964
   14    HH   TYR   2           HH       TYR   2 -14.020   3.734  -0.609
   15    H    LEU   3           HN       LEU   3  -8.519  -2.387  -1.559
   16    HA   LEU   3           HA       LEU   3  -8.243  -5.168  -0.570
   17   1HB   LEU   3          HB1       LEU   3  -7.455  -3.554  -2.855
   18   2HB   LEU   3          HB2       LEU   3  -6.057  -4.396  -2.187
   19    HG   LEU   3           HG       LEU   3  -7.367  -6.523  -2.242
   20   1HD1  LEU   3          HD11      LEU   3  -9.404  -4.703  -3.547
   21   2HD1  LEU   3          HD12      LEU   3  -9.621  -5.706  -2.113
   22   3HD1  LEU   3          HD13      LEU   3  -9.453  -6.459  -3.699
   23   1HD2  LEU   3          HD21      LEU   3  -6.545  -4.934  -4.584
   24   2HD2  LEU   3          HD22      LEU   3  -7.663  -6.245  -4.962
   25   3HD2  LEU   3          HD23      LEU   3  -6.136  -6.594  -4.153
   26    H    LYS   4           HN       LYS   4  -5.918  -5.787   0.120
   27    HA   LYS   4           HA       LYS   4  -4.684  -3.579   1.724
   28   1HB   LYS   4          HB2       LYS   4  -4.341  -5.403   3.468
   29   2HB   LYS   4          HB1       LYS   4  -6.020  -4.956   3.181
   30   1HG   LYS   4          HG2       LYS   4  -5.008  -7.118   1.444
   31   2HG   LYS   4          HG1       LYS   4  -5.115  -7.528   3.155
   32   1HD   LYS   4          HD2       LYS   4  -7.410  -7.338   3.196
   33   2HD   LYS   4          HD1       LYS   4  -7.433  -6.087   1.952
   34   1HE   LYS   4          HE1       LYS   4  -8.362  -8.125   0.989
   35   2HE   LYS   4          HE2       LYS   4  -6.755  -7.880   0.278
   36   1HZ   LYS   4          HZ1       LYS   4  -5.802  -9.377   1.836
   37   2HZ   LYS   4          HZ2       LYS   4  -7.164 -10.165   1.195
   38   3HZ   LYS   4          HZ3       LYS   4  -7.235  -9.469   2.743
   39    H    TRP   5           HN       TRP   5  -2.490  -3.447   1.529
   40    HA   TRP   5           HA       TRP   5  -1.049  -5.729   0.205
   41   1HB   TRP   5          HB2       TRP   5  -0.381  -2.764   0.162
   42   2HB   TRP   5          HB1       TRP   5   0.361  -4.025  -0.817
   43    HD1  TRP   5           HD1      TRP   5  -3.115  -2.431  -0.277
   44    HE1  TRP   5           HE1      TRP   5  -4.363  -2.448  -2.522
   45    HE3  TRP   5           HE3      TRP   5   0.293  -4.922  -3.146
   46    HZ2  TRP   5           HZ2      TRP   5  -3.973  -3.408  -5.196
   47    HZ3  TRP   5           HZ3      TRP   5  -0.171  -5.377  -5.536
   48    HH2  TRP   5           HH2      TRP   5  -2.296  -4.625  -6.565
   49    H    ILE   6           HN       ILE   6   1.445  -5.401   0.749
   50    HA   ILE   6           HA       ILE   6   2.000  -4.233   3.356
   51    HB   ILE   6           HB       ILE   6   0.718  -6.354   3.793
   52   1HG1  ILE   6          HG11      ILE   6   2.284  -5.307   5.436
   53   2HG1  ILE   6          HG12      ILE   6   2.128  -7.047   5.630
   54   1HG2  ILE   6          HG21      ILE   6   3.252  -7.707   2.837
   55   2HG2  ILE   6          HG22      ILE   6   1.756  -7.640   1.904
   56   3HG2  ILE   6          HG23      ILE   6   1.795  -8.494   3.447
   57   1HD1  ILE   6          HD11      ILE   6   4.231  -6.863   3.864
   58   2HD1  ILE   6          HD12      ILE   6   4.385  -7.064   5.605
   59   3HD1  ILE   6          HD13      ILE   6   4.478  -5.454   4.892
   60    H    CYS   7           HN       CYS   7   4.064  -3.539   3.215
   61    HA   CYS   7           HA       CYS   7   5.847  -4.353   1.092
   62   1HB   CYS   7          HB2       CYS   7   5.682  -2.136   2.364
   63   2HB   CYS   7          HB1       CYS   7   6.500  -2.946   3.699
   64    H    ILE   8           HN       ILE   8   6.172  -6.640   1.304
   65    HA   ILE   8           HA       ILE   8   6.739  -8.083   3.643
   66    HB   ILE   8           HB       ILE   8   6.270  -9.084   1.473
   67   1HG1  ILE   8          HG12      ILE   8   9.059  -9.973   1.838
   68   2HG1  ILE   8          HG11      ILE   8   8.038 -10.063   3.268
   69   1HG2  ILE   8          HG21      ILE   8   8.621  -8.983   0.052
   70   2HG2  ILE   8          HG22      ILE   8   8.506  -7.361   0.735
   71   3HG2  ILE   8          HG23      ILE   8   7.199  -7.989  -0.264
   72   1HD1  ILE   8          HD11      ILE   8   7.211 -11.995   2.441
   73   2HD1  ILE   8          HD12      ILE   8   8.051 -11.756   0.909
   74   3HD1  ILE   8          HD13      ILE   8   6.455 -11.049   1.160
   75    H    THR   9           HN       THR   9   8.740  -5.808   1.967
   76    HA   THR   9           HA       THR   9  11.324  -6.719   2.768
   77    HB   THR   9           HB       THR   9  10.177  -3.961   2.212
   78    HG1  THR   9           HG1      THR   9  11.528  -5.849   0.586
   79   1HG2  THR   9          HG21      THR   9  12.204  -3.245   2.925
   80   2HG2  THR   9          HG22      THR   9  12.820  -3.950   1.431
   81   3HG2  THR   9          HG23      THR   9  12.871  -4.877   2.931
   82    H    CYS  10           HN       CYS  10   8.834  -4.900   4.501
   83    HA   CYS  10           HA       CYS  10  10.648  -4.892   6.885
   84   1HB   CYS  10          HB1       CYS  10   9.814  -2.611   7.364
   85   2HB   CYS  10          HB2       CYS  10  10.569  -2.680   5.773
   86    H    GLY  11           HN       GLY  11   7.281  -4.881   5.686
   87   1HA   GLY  11          HA2       GLY  11   5.716  -6.425   6.840
   88   2HA   GLY  11          HA1       GLY  11   6.491  -5.974   8.355
   89    H    HIS  12           HN       HIS  12   5.572  -3.730   5.768
   90    HA   HIS  12           HA       HIS  12   3.766  -2.366   7.728
   91   1HB   HIS  12          HB1       HIS  12   5.480  -1.558   5.387
   92   2HB   HIS  12          HB2       HIS  12   4.126  -0.527   5.853
   93    HD1  HIS  12           HD1      HIS  12   5.794   1.319   6.700
   94    HD2  HIS  12           HD2      HIS  12   6.084  -2.310   8.730
   95    HE1  HIS  12           HE1      HIS  12   7.163   1.771   8.783
   96    H    ILE  13           HN       ILE  13   1.686  -3.093   7.399
   97    HA   ILE  13           HA       ILE  13   0.740  -3.942   4.764
   98    HB   ILE  13           HB       ILE  13  -0.565  -3.537   7.480
   99   1HG1  ILE  13          HG12      ILE  13   0.113  -6.115   6.050
  100   2HG1  ILE  13          HG11      ILE  13   1.242  -5.318   7.148
  101   1HG2  ILE  13          HG21      ILE  13  -2.324  -5.115   6.423
  102   2HG2  ILE  13          HG22      ILE  13  -1.654  -4.610   4.872
  103   3HG2  ILE  13          HG23      ILE  13  -2.376  -3.416   5.952
  104   1HD1  ILE  13          HD11      ILE  13  -0.551  -5.364   8.913
  105   2HD1  ILE  13          HD12      ILE  13  -0.003  -6.966   8.418
  106   3HD1  ILE  13          HD13      ILE  13  -1.535  -6.333   7.817
  107    H    TYR  14           HN       TYR  14  -0.336  -2.671   3.300
  108    HA   TYR  14           HA       TYR  14  -1.005   0.129   4.076
  109   1HB   TYR  14          HB1       TYR  14   0.383  -0.172   2.091
  110   2HB   TYR  14          HB2       TYR  14  -0.754  -1.346   1.428
  111    HD1  TYR  14           HD1      TYR  14  -0.342   2.231   2.373
  112    HD2  TYR  14           HD2      TYR  14  -2.725  -0.648   0.251
  113    HE1  TYR  14           HE1      TYR  14  -1.642   4.069   1.331
  114    HE2  TYR  14           HE2      TYR  14  -4.020   1.190  -0.789
  115    HH   TYR  14           HH       TYR  14  -4.572   3.589  -0.229
  116    H    ASP  15           HN       ASP  15  -3.123   0.654   4.424
  117    HA   ASP  15           HA       ASP  15  -5.215  -1.304   3.551
  118   1HB   ASP  15          HB1       ASP  15  -5.301   0.860   5.688
  119   2HB   ASP  15          HB2       ASP  15  -6.488  -0.420   5.440
  120    H    GLU  16           HN       GLU  16  -6.103  -0.583   1.641
  121    HA   GLU  16           HA       GLU  16  -5.972   1.952   0.499
  122   1HB   GLU  16          HB2       GLU  16  -7.750  -0.434   0.355
  123   2HB   GLU  16          HB1       GLU  16  -8.353   1.034  -0.411
  124   1HG   GLU  16          HG1       GLU  16  -7.133   0.081  -2.154
  125   2HG   GLU  16          HG2       GLU  16  -5.933   1.154  -1.432
  126    H    ALA  17           HN       ALA  17  -8.041   0.900   3.127
  127    HA   ALA  17           HA       ALA  17  -9.821   3.239   2.925
  128   1HB   ALA  17          HB1       ALA  17 -10.462   2.146   5.260
  129   2HB   ALA  17          HB2       ALA  17  -9.475   0.811   4.664
  130   3HB   ALA  17          HB3       ALA  17 -10.894   1.332   3.756
  131    H    LEU  18           HN       LEU  18  -6.688   3.116   3.743
  132    HA   LEU  18           HA       LEU  18  -6.734   5.517   5.330
  133   1HB   LEU  18          HB1       LEU  18  -7.405   3.269   6.738
  134   2HB   LEU  18          HB2       LEU  18  -5.658   3.296   6.974
  135    HG   LEU  18           HG       LEU  18  -6.771   5.957   7.266
  136   1HD1  LEU  18          HD11      LEU  18  -8.463   5.686   8.760
  137   2HD1  LEU  18          HD12      LEU  18  -7.665   4.329   9.555
  138   3HD1  LEU  18          HD13      LEU  18  -8.589   4.065   8.075
  139   1HD2  LEU  18          HD21      LEU  18  -4.596   5.350   8.131
  140   2HD2  LEU  18          HD22      LEU  18  -5.289   4.036   9.082
  141   3HD2  LEU  18          HD23      LEU  18  -5.637   5.712   9.506
  142    H    GLY  19           HN       GLY  19  -5.270   5.449   3.236
  143   1HA   GLY  19          HA1       GLY  19  -2.794   4.018   3.285
  144   2HA   GLY  19          HA2       GLY  19  -3.116   5.452   2.312
  145    H    ASP  20           HN       ASP  20  -1.251   6.616   2.722
  146    HA   ASP  20           HA       ASP  20  -0.128   6.870   5.407
  147   1HB   ASP  20          HB1       ASP  20   0.377   8.064   2.666
  148   2HB   ASP  20          HB2       ASP  20   1.322   8.549   4.075
  149    H    GLU  21           HN       GLU  21   0.206   9.060   6.395
  150    HA   GLU  21           HA       GLU  21  -2.185  10.817   5.952
  151   1HB   GLU  21          HB2       GLU  21  -1.872   9.511   8.132
  152   2HB   GLU  21          HB1       GLU  21  -0.467  10.532   8.438
  153   1HG   GLU  21          HG2       GLU  21  -3.087  11.819   7.738
  154   2HG   GLU  21          HG1       GLU  21  -2.829  11.233   9.381
  155    H    ALA  22           HN       ALA  22   1.310  10.671   6.202
  156    HA   ALA  22           HA       ALA  22   1.721  13.550   6.432
  157   1HB   ALA  22          HB1       ALA  22   3.608  11.388   5.437
  158   2HB   ALA  22          HB2       ALA  22   3.266  11.650   7.147
  159   3HB   ALA  22          HB3       ALA  22   4.046  12.916   6.198
  160    H    GLU  23           HN       GLU  23   1.989  11.178   3.757
  161    HA   GLU  23           HA       GLU  23   2.661  13.129   1.745
  162   1HB   GLU  23          HB2       GLU  23   1.546  10.313   1.770
  163   2HB   GLU  23          HB1       GLU  23   1.948  11.159   0.279
  164   1HG   GLU  23          HG1       GLU  23   4.185  10.927   0.604
  165   2HG   GLU  23          HG2       GLU  23   4.059  11.270   2.329
  166    H    GLY  24           HN       GLY  24  -0.388  11.762   2.935
  167   1HA   GLY  24          HA2       GLY  24  -2.400  13.197   2.824
  168   2HA   GLY  24          HA1       GLY  24  -1.821  13.785   1.266
  169    H    PHE  25           HN       PHE  25  -1.741  10.382   2.232
  170    HA   PHE  25           HA       PHE  25  -3.145   9.587  -0.180
  171   1HB   PHE  25          HB1       PHE  25  -1.586   8.467   1.954
  172   2HB   PHE  25          HB2       PHE  25  -3.079   7.541   1.821
  173    HD1  PHE  25           HD1      PHE  25  -0.660   9.207  -0.513
  174    HD2  PHE  25           HD2      PHE  25  -2.981   5.710   0.383
  175    HE1  PHE  25           HE1      PHE  25   0.220   8.102  -2.555
  176    HE2  PHE  25           HE2      PHE  25  -2.102   4.605  -1.657
  177    HZ   PHE  25           HZ       PHE  25  -0.504   5.798  -3.127
  178    H    THR  26           HN       THR  26  -5.144  10.859   0.138
  179    HA   THR  26           HA       THR  26  -6.913  10.826   2.269
  180    HB   THR  26           HB       THR  26  -7.058  12.072   0.110
  181    HG1  THR  26           HG1      THR  26  -9.267  12.078   0.096
  182   1HG2  THR  26          HG21      THR  26  -8.421   9.692  -1.099
  183   2HG2  THR  26          HG22      THR  26  -6.661   9.786  -1.147
  184   3HG2  THR  26          HG23      THR  26  -7.633  11.054  -1.897
  185    HA   PRO  27           HA       PRO  27  -8.166   6.633   2.859
  186   1HB   PRO  27          HB2       PRO  27 -10.847   7.731   3.531
  187   2HB   PRO  27          HB1       PRO  27  -9.757   6.747   4.523
  188   1HG   PRO  27          HG1       PRO  27 -10.151   9.367   4.974
  189   2HG   PRO  27          HG2       PRO  27  -8.605   8.566   5.293
  190   1HD   PRO  27          HD1       PRO  27  -9.370  10.393   3.076
  191   2HD   PRO  27          HD2       PRO  27  -7.800  10.178   3.880
  192    H    GLY  28           HN       GLY  28  -8.477   5.529   0.949
  193   1HA   GLY  28          HA2       GLY  28 -10.617   4.678  -0.294
  194   2HA   GLY  28          HA1       GLY  28 -10.733   6.360  -0.813
  195    H    THR  29           HN       THR  29  -7.709   6.507  -0.890
  196    HA   THR  29           HA       THR  29  -7.296   6.039  -3.650
  197    HB   THR  29           HB       THR  29  -5.192   5.910  -1.468
  198    HG1  THR  29           HG1      THR  29  -5.983   7.755  -0.884
  199   1HG2  THR  29          HG21      THR  29  -3.807   6.015  -3.240
  200   2HG2  THR  29          HG22      THR  29  -4.486   7.595  -3.632
  201   3HG2  THR  29          HG23      THR  29  -5.178   6.137  -4.343
  202    H    ARG  30           HN       ARG  30  -6.890   4.189  -4.790
  203    HA   ARG  30           HA       ARG  30  -6.390   1.678  -3.243
  204   1HB   ARG  30          HB2       ARG  30  -7.460   2.220  -6.037
  205   2HB   ARG  30          HB1       ARG  30  -7.317   0.621  -5.308
  206   1HG   ARG  30          HG1       ARG  30  -8.676   2.256  -3.427
  207   2HG   ARG  30          HG2       ARG  30  -9.425   2.559  -4.994
  208   1HD   ARG  30          HD1       ARG  30  -8.967  -0.259  -4.792
  209   2HD   ARG  30          HD2       ARG  30  -9.770   0.276  -3.305
  210    HE   ARG  30           HE       ARG  30 -10.903   1.478  -5.713
  211   1HH1  ARG  30          HH22      ARG  30 -10.937  -1.284  -3.594
  212   2HH1  ARG  30          HH21      ARG  30 -12.554  -1.726  -4.017
  213   1HH2  ARG  30          HH12      ARG  30 -13.001   0.881  -6.246
  214   2HH2  ARG  30          HH11      ARG  30 -13.715  -0.513  -5.506
  215    H    PHE  31           HN       PHE  31  -4.576   0.411  -3.744
  216    HA   PHE  31           HA       PHE  31  -2.230   1.566  -4.796
  217   1HB   PHE  31          HB1       PHE  31  -2.905  -0.719  -3.533
  218   2HB   PHE  31          HB2       PHE  31  -2.741  -1.359  -5.168
  219    HD1  PHE  31           HD1      PHE  31  -0.581  -0.148  -6.434
  220    HD2  PHE  31           HD2      PHE  31  -0.991  -0.971  -2.239
  221    HE1  PHE  31           HE1      PHE  31   1.888  -0.148  -6.193
  222    HE2  PHE  31           HE2      PHE  31   1.477  -0.971  -1.997
  223    HZ   PHE  31           HZ       PHE  31   2.916  -0.560  -3.974
  224    H    GLU  32           HN       GLU  32  -4.793  -0.245  -6.470
  225    HA   GLU  32           HA       GLU  32  -3.560  -0.641  -8.980
  226   1HB   GLU  32          HB1       GLU  32  -5.722  -1.569  -8.345
  227   2HB   GLU  32          HB2       GLU  32  -6.414   0.046  -8.198
  228   1HG   GLU  32          HG2       GLU  32  -6.327   0.413 -10.541
  229   2HG   GLU  32          HG1       GLU  32  -5.210  -0.929 -10.791
  230    H    ASP  33           HN       ASP  33  -4.775   2.285  -7.490
  231    HA   ASP  33           HA       ASP  33  -4.524   3.810 -10.032
  232   1HB   ASP  33          HB1       ASP  33  -6.439   3.965  -8.295
  233   2HB   ASP  33          HB2       ASP  33  -5.281   4.826  -7.280
  234    H    ILE  34           HN       ILE  34  -2.809   3.156  -7.071
  235    HA   ILE  34           HA       ILE  34  -1.212   5.502  -6.837
  236    HB   ILE  34           HB       ILE  34  -0.765   2.566  -6.205
  237   1HG1  ILE  34          HG12      ILE  34  -1.587   4.981  -4.570
  238   2HG1  ILE  34          HG11      ILE  34  -2.582   3.582  -4.960
  239   1HG2  ILE  34          HG21      ILE  34   1.423   3.676  -6.422
  240   2HG2  ILE  34          HG22      ILE  34   1.074   3.322  -4.730
  241   3HG2  ILE  34          HG23      ILE  34   0.884   4.964  -5.344
  242   1HD1  ILE  34          HD11      ILE  34  -1.875   3.051  -2.798
  243   2HD1  ILE  34          HD12      ILE  34  -0.293   3.796  -3.023
  244   3HD1  ILE  34          HD13      ILE  34  -0.649   2.239  -3.770
  245    HA   PRO  35           HA       PRO  35   0.879   4.935 -10.798
  246   1HB   PRO  35          HB1       PRO  35   2.560   7.135 -10.444
  247   2HB   PRO  35          HB2       PRO  35   0.940   7.207 -11.160
  248   1HG   PRO  35          HG1       PRO  35   1.833   7.876  -8.408
  249   2HG   PRO  35          HG2       PRO  35   0.581   8.630  -9.404
  250   1HD   PRO  35          HD2       PRO  35   0.024   6.947  -7.352
  251   2HD   PRO  35          HD1       PRO  35  -1.012   7.095  -8.787
  252    H    ASP  36           HN       ASP  36   3.591   5.581 -11.063
  253    HA   ASP  36           HA       ASP  36   4.822   3.507  -9.325
  254   1HB   ASP  36          HB1       ASP  36   5.402   4.859 -11.952
  255   2HB   ASP  36          HB2       ASP  36   6.712   4.040 -11.101
  256    H    ASP  37           HN       ASP  37   4.238   6.485  -8.600
  257    HA   ASP  37           HA       ASP  37   7.031   7.366  -8.015
  258   1HB   ASP  37          HB2       ASP  37   5.306   8.828  -9.181
  259   2HB   ASP  37          HB1       ASP  37   4.390   8.829  -7.674
  260    H    TRP  38           HN       TRP  38   3.990   6.424  -6.481
  261    HA   TRP  38           HA       TRP  38   4.648   7.230  -3.798
  262   1HB   TRP  38          HB1       TRP  38   2.377   6.737  -4.576
  263   2HB   TRP  38          HB2       TRP  38   2.837   5.079  -4.959
  264    HD1  TRP  38           HD1      TRP  38   2.255   7.412  -1.975
  265    HE1  TRP  38           HE1      TRP  38   1.860   5.971   0.127
  266    HE3  TRP  38           HE3      TRP  38   3.232   2.779  -3.885
  267    HZ2  TRP  38           HZ2      TRP  38   1.948   3.217   0.896
  268    HZ3  TRP  38           HZ3      TRP  38   3.071   0.767  -2.449
  269    HH2  TRP  38           HH2      TRP  38   2.431   0.979  -0.063
  270    H    CYS  39           HN       CYS  39   5.554   5.982  -2.097
  271    HA   CYS  39           HA       CYS  39   6.574   3.262  -2.728
  272   1HB   CYS  39          HB1       CYS  39   8.216   5.712  -2.006
  273   2HB   CYS  39          HB2       CYS  39   8.850   4.070  -1.892
  274    HG   CYS  39           HG       CYS  39   9.395   4.389  -4.295
  275    H    CYS  40           HN       CYS  40   7.985   2.655  -0.550
  276    HA   CYS  40           HA       CYS  40   6.018   2.729   1.613
  277   1HB   CYS  40          HB1       CYS  40   7.924   0.986   0.709
  278   2HB   CYS  40          HB2       CYS  40   8.768   1.713   2.075
  279    HA   PRO  41           HA       PRO  41   7.771   6.284   3.585
  280   1HB   PRO  41          HB2       PRO  41   6.691   5.921   6.095
  281   2HB   PRO  41          HB1       PRO  41   5.771   6.554   4.719
  282   1HG   PRO  41          HG1       PRO  41   5.803   3.821   5.889
  283   2HG   PRO  41          HG2       PRO  41   4.457   4.737   5.199
  284   1HD   PRO  41          HD2       PRO  41   5.773   2.727   3.888
  285   2HD   PRO  41          HD1       PRO  41   4.931   4.059   3.068
  286    H    ASP  42           HN       ASP  42   8.253   3.027   4.711
  287    HA   ASP  42           HA       ASP  42  10.397   3.885   6.594
  288   1HB   ASP  42          HB2       ASP  42   8.399   2.009   6.720
  289   2HB   ASP  42          HB1       ASP  42   9.756   1.020   6.180
  290    H    CYS  43           HN       CYS  43   9.917   2.439   3.456
  291    HA   CYS  43           HA       CYS  43  12.846   1.810   3.306
  292   1HB   CYS  43          HB2       CYS  43  10.448   0.697   1.811
  293   2HB   CYS  43          HB1       CYS  43  12.116   0.188   1.554
  294    H    GLY  44           HN       GLY  44  10.161   2.617   1.063
  295   1HA   GLY  44          HA1       GLY  44  10.151   4.648  -0.293
  296   2HA   GLY  44          HA2       GLY  44  11.906   4.721  -0.125
  297    H    ALA  45           HN       ALA  45  10.045   1.817  -0.922
  298    HA   ALA  45           HA       ALA  45  11.456   1.765  -3.567
  299   1HB   ALA  45          HB1       ALA  45  10.877  -0.784  -3.189
  300   2HB   ALA  45          HB2       ALA  45  10.645  -0.286  -1.513
  301   3HB   ALA  45          HB3       ALA  45  12.212  -0.062  -2.291
  302    H    THR  46           HN       THR  46  10.219   0.800  -5.360
  303    HA   THR  46           HA       THR  46   7.536   1.796  -5.580
  304    HB   THR  46           HB       THR  46   7.617   0.617  -7.735
  305    HG1  THR  46           HG1      THR  46   9.743  -0.736  -6.463
  306   1HG2  THR  46          HG21      THR  46  10.478   1.346  -7.476
  307   2HG2  THR  46          HG22      THR  46   9.331   2.582  -6.961
  308   3HG2  THR  46          HG23      THR  46   9.261   1.944  -8.604
  309    H    LYS  47           HN       LYS  47   6.148  -0.337  -6.784
  310    HA   LYS  47           HA       LYS  47   5.000  -1.659  -4.499
  311   1HB   LYS  47          HB2       LYS  47   3.900  -1.040  -6.688
  312   2HB   LYS  47          HB1       LYS  47   4.804  -2.347  -7.452
  313   1HG   LYS  47          HG2       LYS  47   3.766  -3.962  -5.883
  314   2HG   LYS  47          HG1       LYS  47   2.837  -2.648  -5.162
  315   1HD   LYS  47          HD2       LYS  47   1.387  -3.690  -6.760
  316   2HD   LYS  47          HD1       LYS  47   1.927  -2.181  -7.497
  317   1HE   LYS  47          HE2       LYS  47   3.386  -3.285  -8.982
  318   2HE   LYS  47          HE1       LYS  47   3.450  -4.746  -7.977
  319   1HZ   LYS  47          HZ1       LYS  47   0.980  -4.909  -8.371
  320   2HZ   LYS  47          HZ2       LYS  47   1.949  -5.217  -9.730
  321   3HZ   LYS  47          HZ3       LYS  47   1.162  -3.721  -9.570
  322    H    GLU  48           HN       GLU  48   7.832  -2.354  -6.289
  323    HA   GLU  48           HA       GLU  48   7.927  -5.137  -6.529
  324   1HB   GLU  48          HB1       GLU  48   9.638  -3.372  -7.159
  325   2HB   GLU  48          HB2       GLU  48  10.130  -3.336  -5.466
  326   1HG   GLU  48          HG2       GLU  48  10.651  -5.752  -5.573
  327   2HG   GLU  48          HG1       GLU  48  10.173  -5.776  -7.271
  328    H    ASP  49           HN       ASP  49   8.500  -3.188  -3.592
  329    HA   ASP  49           HA       ASP  49   9.019  -5.596  -1.975
  330   1HB   ASP  49          HB2       ASP  49   9.336  -3.893  -0.204
  331   2HB   ASP  49          HB1       ASP  49  10.215  -3.445  -1.665
  332    H    TYR  50           HN       TYR  50   6.266  -3.711  -2.890
  333    HA   TYR  50           HA       TYR  50   4.690  -4.462  -0.506
  334   1HB   TYR  50          HB1       TYR  50   4.577  -2.610  -2.805
  335   2HB   TYR  50          HB2       TYR  50   3.011  -3.259  -2.325
  336    HD1  TYR  50           HD1      TYR  50   2.380  -3.148   0.167
  337    HD2  TYR  50           HD2      TYR  50   5.586  -0.878  -1.566
  338    HE1  TYR  50           HE1      TYR  50   2.327  -1.596   2.102
  339    HE2  TYR  50           HE2      TYR  50   5.533   0.675   0.368
  340    HH   TYR  50           HH       TYR  50   3.598   0.010   3.203
  341    H    VAL  51           HN       VAL  51   3.090  -6.019  -0.502
  342    HA   VAL  51           HA       VAL  51   2.392  -7.371  -3.074
  343    HB   VAL  51           HB       VAL  51   2.743  -9.550  -1.907
  344   1HG1  VAL  51          HG11      VAL  51   5.289  -8.013  -1.525
  345   2HG1  VAL  51          HG12      VAL  51   4.591  -8.117  -3.141
  346   3HG1  VAL  51          HG13      VAL  51   5.037  -9.588  -2.278
  347   1HG2  VAL  51          HG21      VAL  51   2.773  -9.517   0.347
  348   2HG2  VAL  51          HG22      VAL  51   2.961  -7.763   0.370
  349   3HG2  VAL  51          HG23      VAL  51   4.382  -8.803   0.251
  350    H    LEU  52           HN       LEU  52   0.412  -8.755  -2.787
  351    HA   LEU  52           HA       LEU  52  -1.690  -7.345  -1.451
  352   1HB   LEU  52          HB2       LEU  52  -1.895  -8.785  -3.454
  353   2HB   LEU  52          HB1       LEU  52  -1.516 -10.194  -2.472
  354    HG   LEU  52           HG       LEU  52  -3.605 -10.247  -1.489
  355   1HD1  LEU  52          HD11      LEU  52  -5.096  -8.111  -1.446
  356   2HD1  LEU  52          HD12      LEU  52  -3.600  -7.241  -1.783
  357   3HD1  LEU  52          HD13      LEU  52  -3.749  -8.203  -0.312
  358   1HD2  LEU  52          HD21      LEU  52  -5.321  -9.490  -3.176
  359   2HD2  LEU  52          HD22      LEU  52  -4.025 -10.481  -3.846
  360   3HD2  LEU  52          HD23      LEU  52  -4.003  -8.732  -4.069
  361    H    TYR  53           HN       TYR  53  -2.139  -7.351   0.708
  362    HA   TYR  53           HA       TYR  53  -0.847  -9.186   2.553
  363   1HB   TYR  53          HB2       TYR  53  -1.448  -6.796   2.998
  364   2HB   TYR  53          HB1       TYR  53  -3.155  -7.236   2.926
  365    HD1  TYR  53           HD1      TYR  53  -4.256  -8.080   4.832
  366    HD2  TYR  53           HD2      TYR  53   0.036  -8.031   4.701
  367    HE1  TYR  53           HE1      TYR  53  -4.176  -8.776   7.210
  368    HE2  TYR  53           HE2      TYR  53   0.118  -8.729   7.079
  369    HH   TYR  53           HH       TYR  53  -1.361  -9.915   8.698
  370    H    GLU  54           HN       GLU  54  -1.539 -11.272   2.797
  371    HA   GLU  54           HA       GLU  54  -4.493 -11.783   2.815
  372   1HB   GLU  54          HB2       GLU  54  -2.712 -12.490   0.818
  373   2HB   GLU  54          HB1       GLU  54  -2.758 -13.947   1.811
  374   1HG   GLU  54          HG1       GLU  54  -5.237 -13.929   1.689
  375   2HG   GLU  54          HG2       GLU  54  -5.163 -12.505   0.651
  376    H    GLU  55           HN       GLU  55  -4.889 -14.060   3.807
  377    HA   GLU  55           HA       GLU  55  -3.808 -14.140   6.463
  378   1HB   GLU  55          HB2       GLU  55  -5.234 -16.248   4.797
  379   2HB   GLU  55          HB1       GLU  55  -5.105 -16.253   6.555
  380   1HG   GLU  55          HG1       GLU  55  -6.119 -13.787   6.230
  381   2HG   GLU  55          HG2       GLU  55  -6.777 -14.541   4.778
  382    H    LYS  56           HN       LYS  56  -3.201 -16.808   6.947
  383    HA   LYS  56           HA       LYS  56  -0.497 -17.012   5.743
  384   1HB   LYS  56          HB1       LYS  56  -1.383 -17.217   8.273
  385   2HB   LYS  56          HB2       LYS  56  -1.573 -18.906   7.799
  386   1HG   LYS  56          HG1       LYS  56   0.670 -19.260   7.739
  387   2HG   LYS  56          HG2       LYS  56   0.984 -17.710   6.957
  388   1HD   LYS  56          HD1       LYS  56   0.833 -16.541   9.065
  389   2HD   LYS  56          HD2       LYS  56   0.272 -17.996   9.890
  390   1HE   LYS  56          HE1       LYS  56   2.459 -18.400  10.379
  391   2HE   LYS  56          HE2       LYS  56   2.679 -18.765   8.657
  392   1HZ   LYS  56          HZ1       LYS  56   2.790 -16.246   8.377
  393   2HZ   LYS  56          HZ2       LYS  56   4.145 -17.002   9.070
  394   3HZ   LYS  56          HZ3       LYS  56   3.035 -16.178  10.056
  Start of MODEL   20
    1    H    ALA   1           HT1      ALA   1 -15.866  -3.051  -0.805
    2    HA   ALA   1           HA       ALA   1 -14.432  -2.331   1.069
    3   1HB   ALA   1          HB1       ALA   1 -13.424  -4.570   1.206
    4   2HB   ALA   1          HB2       ALA   1 -13.562  -4.760  -0.542
    5   3HB   ALA   1          HB3       ALA   1 -15.015  -4.689   0.455
    6    H    TYR   2           HN       TYR   2 -12.004  -2.621   1.697
    7    HA   TYR   2           HA       TYR   2 -10.323  -1.315  -0.419
    8   1HB   TYR   2          HB2       TYR   2 -10.494  -1.087   2.597
    9   2HB   TYR   2          HB1       TYR   2  -9.110  -0.465   1.700
   10    HD1  TYR   2           HD1      TYR   2 -11.812   0.729   3.260
   11    HD2  TYR   2           HD2      TYR   2 -10.241   0.614  -0.735
   12    HE1  TYR   2           HE1      TYR   2 -13.100   2.772   2.695
   13    HE2  TYR   2           HE2      TYR   2 -11.529   2.657  -1.301
   14    HH   TYR   2           HH       TYR   2 -13.456   3.880  -0.544
   15    H    LEU   3           HN       LEU   3  -8.394  -2.297  -0.924
   16    HA   LEU   3           HA       LEU   3  -7.864  -4.972   0.150
   17   1HB   LEU   3          HB1       LEU   3  -7.126  -3.251  -2.108
   18   2HB   LEU   3          HB2       LEU   3  -5.754  -4.176  -1.497
   19    HG   LEU   3           HG       LEU   3  -7.092  -6.253  -1.662
   20   1HD1  LEU   3          HD11      LEU   3  -9.171  -4.531  -3.040
   21   2HD1  LEU   3          HD12      LEU   3  -9.302  -5.047  -1.358
   22   3HD1  LEU   3          HD13      LEU   3  -9.290  -6.248  -2.651
   23   1HD2  LEU   3          HD21      LEU   3  -6.248  -4.573  -3.876
   24   2HD2  LEU   3          HD22      LEU   3  -7.572  -5.632  -4.357
   25   3HD2  LEU   3          HD23      LEU   3  -6.095  -6.319  -3.683
   26    H    LYS   4           HN       LYS   4  -5.621  -5.531   0.905
   27    HA   LYS   4           HA       LYS   4  -4.241  -3.264   2.288
   28   1HB   LYS   4          HB1       LYS   4  -5.252  -5.902   3.381
   29   2HB   LYS   4          HB2       LYS   4  -4.011  -4.969   4.216
   30   1HG   LYS   4          HG1       LYS   4  -5.801  -3.003   3.790
   31   2HG   LYS   4          HG2       LYS   4  -6.907  -4.376   3.849
   32   1HD   LYS   4          HD1       LYS   4  -4.845  -3.687   5.966
   33   2HD   LYS   4          HD2       LYS   4  -6.579  -3.395   6.095
   34   1HE   LYS   4          HE2       LYS   4  -6.208  -6.136   5.348
   35   2HE   LYS   4          HE1       LYS   4  -5.163  -5.793   6.739
   36   1HZ   LYS   4          HZ1       LYS   4  -6.976  -4.906   7.941
   37   2HZ   LYS   4          HZ2       LYS   4  -7.554  -6.356   7.273
   38   3HZ   LYS   4          HZ3       LYS   4  -7.980  -4.871   6.571
   39    H    TRP   5           HN       TRP   5  -2.054  -3.343   1.908
   40    HA   TRP   5           HA       TRP   5  -0.939  -5.862   0.725
   41   1HB   TRP   5          HB2       TRP   5   0.079  -2.995   0.699
   42   2HB   TRP   5          HB1       TRP   5   0.740  -4.334  -0.232
   43    HD1  TRP   5           HD1      TRP   5  -2.693  -2.580   0.175
   44    HE1  TRP   5           HE1      TRP   5  -3.808  -2.478  -2.145
   45    HE3  TRP   5           HE3      TRP   5   0.820  -5.036  -2.596
   46    HZ2  TRP   5           HZ2      TRP   5  -3.280  -3.329  -4.827
   47    HZ3  TRP   5           HZ3      TRP   5   0.491  -5.377  -5.028
   48    HH2  TRP   5           HH2      TRP   5  -1.550  -4.528  -6.147
   49    H    ILE   6           HN       ILE   6   1.513  -6.072   1.267
   50    HA   ILE   6           HA       ILE   6   2.110  -5.188   4.048
   51    HB   ILE   6           HB       ILE   6   1.190  -7.417   4.285
   52   1HG1  ILE   6          HG12      ILE   6   3.057  -8.656   5.197
   53   2HG1  ILE   6          HG11      ILE   6   4.200  -7.782   4.183
   54   1HG2  ILE   6          HG21      ILE   6   2.452  -7.777   1.692
   55   2HG2  ILE   6          HG22      ILE   6   1.172  -8.728   2.447
   56   3HG2  ILE   6          HG23      ILE   6   2.864  -9.099   2.783
   57   1HD1  ILE   6          HD11      ILE   6   4.385  -6.150   5.719
   58   2HD1  ILE   6          HD12      ILE   6   3.369  -7.108   6.797
   59   3HD1  ILE   6          HD13      ILE   6   2.641  -5.911   5.732
   60    H    CYS   7           HN       CYS   7   4.137  -4.344   4.112
   61    HA   CYS   7           HA       CYS   7   5.915  -4.513   1.805
   62   1HB   CYS   7          HB2       CYS   7   5.509  -2.575   3.454
   63   2HB   CYS   7          HB1       CYS   7   6.498  -3.485   4.598
   64    H    ILE   8           HN       ILE   8   6.361  -6.855   1.735
   65    HA   ILE   8           HA       ILE   8   7.234  -8.510   3.812
   66    HB   ILE   8           HB       ILE   8   8.341  -9.777   2.023
   67   1HG1  ILE   8          HG11      ILE   8   7.970  -7.291   0.330
   68   2HG1  ILE   8          HG12      ILE   8   9.509  -7.820   1.004
   69   1HG2  ILE   8          HG21      ILE   8   5.751  -9.379   2.148
   70   2HG2  ILE   8          HG22      ILE   8   6.435 -10.163   0.726
   71   3HG2  ILE   8          HG23      ILE   8   6.006  -8.453   0.669
   72   1HD1  ILE   8          HD11      ILE   8   8.171  -8.735  -1.384
   73   2HD1  ILE   8          HD12      ILE   8   8.384 -10.082  -0.264
   74   3HD1  ILE   8          HD13      ILE   8   9.781  -9.147  -0.795
   75    H    THR   9           HN       THR   9   8.925  -5.876   2.270
   76    HA   THR   9           HA       THR   9  11.600  -6.500   3.143
   77    HB   THR   9           HB       THR   9  10.108  -3.967   2.363
   78    HG1  THR   9           HG1      THR   9  12.019  -5.539   0.985
   79   1HG2  THR   9          HG21      THR   9  11.917  -3.053   3.514
   80   2HG2  THR   9          HG22      THR   9  12.589  -3.223   1.892
   81   3HG2  THR   9          HG23      THR   9  12.975  -4.413   3.136
   82    H    CYS  10           HN       CYS  10   8.829  -4.929   4.662
   83    HA   CYS  10           HA       CYS  10  10.499  -4.462   7.104
   84   1HB   CYS  10          HB2       CYS  10   8.138  -2.943   6.016
   85   2HB   CYS  10          HB1       CYS  10   8.992  -2.539   7.498
   86    H    GLY  11           HN       GLY  11   7.125  -5.013   6.024
   87   1HA   GLY  11          HA2       GLY  11   6.004  -7.029   7.036
   88   2HA   GLY  11          HA1       GLY  11   6.699  -6.521   8.573
   89    H    HIS  12           HN       HIS  12   5.933  -3.659   7.200
   90    HA   HIS  12           HA       HIS  12   3.539  -3.326   8.824
   91   1HB   HIS  12          HB1       HIS  12   5.417  -1.743   7.178
   92   2HB   HIS  12          HB2       HIS  12   3.771  -1.110   7.198
   93    HD1  HIS  12           HD1      HIS  12   2.717  -0.875   9.732
   94    HD2  HIS  12           HD2      HIS  12   6.870  -1.066   9.432
   95    HE1  HIS  12           HE1      HIS  12   3.634   0.009  11.920
   96    H    ILE  13           HN       ILE  13   1.416  -3.343   8.134
   97    HA   ILE  13           HA       ILE  13   0.912  -4.232   5.350
   98    HB   ILE  13           HB       ILE  13  -0.655  -4.121   7.942
   99   1HG1  ILE  13          HG11      ILE  13  -0.551  -6.615   6.432
  100   2HG1  ILE  13          HG12      ILE  13   1.058  -5.999   6.804
  101   1HG2  ILE  13          HG21      ILE  13  -1.684  -4.947   5.208
  102   2HG2  ILE  13          HG22      ILE  13  -2.240  -3.562   6.147
  103   3HG2  ILE  13          HG23      ILE  13  -2.534  -5.200   6.733
  104   1HD1  ILE  13          HD11      ILE  13  -1.139  -6.208   8.875
  105   2HD1  ILE  13          HD12      ILE  13   0.581  -5.931   9.155
  106   3HD1  ILE  13          HD13      ILE  13   0.021  -7.504   8.583
  107    H    TYR  14           HN       TYR  14   0.182  -2.811   3.830
  108    HA   TYR  14           HA       TYR  14  -0.403  -0.028   4.535
  109   1HB   TYR  14          HB1       TYR  14   0.834  -0.622   2.507
  110   2HB   TYR  14          HB2       TYR  14  -0.491  -1.649   1.962
  111    HD1  TYR  14           HD1      TYR  14   0.303   1.877   2.910
  112    HD2  TYR  14           HD2      TYR  14  -2.212  -0.749   0.621
  113    HE1  TYR  14           HE1      TYR  14  -0.755   3.839   1.823
  114    HE2  TYR  14           HE2      TYR  14  -3.270   1.213  -0.466
  115    HH   TYR  14           HH       TYR  14  -3.615   3.709   0.180
  116    H    ASP  15           HN       ASP  15  -2.415   0.627   5.148
  117    HA   ASP  15           HA       ASP  15  -4.762  -1.093   4.517
  118   1HB   ASP  15          HB2       ASP  15  -4.076  -0.229   6.855
  119   2HB   ASP  15          HB1       ASP  15  -4.618   1.355   6.299
  120    H    GLU  16           HN       GLU  16  -5.503  -0.512   2.484
  121    HA   GLU  16           HA       GLU  16  -5.306   1.906   1.123
  122   1HB   GLU  16          HB2       GLU  16  -7.230  -0.389   1.228
  123   2HB   GLU  16          HB1       GLU  16  -7.661   1.004   0.240
  124   1HG   GLU  16          HG1       GLU  16  -5.264   0.793  -0.728
  125   2HG   GLU  16          HG2       GLU  16  -5.281  -0.824  -0.026
  126    H    ALA  17           HN       ALA  17  -7.395   1.140   3.835
  127    HA   ALA  17           HA       ALA  17  -9.065   3.548   3.434
  128   1HB   ALA  17          HB1       ALA  17 -10.380   2.590   5.163
  129   2HB   ALA  17          HB2       ALA  17  -9.008   1.705   5.830
  130   3HB   ALA  17          HB3       ALA  17  -9.738   1.187   4.310
  131    H    LEU  18           HN       LEU  18  -6.020   3.462   4.215
  132    HA   LEU  18           HA       LEU  18  -6.033   5.810   5.876
  133   1HB   LEU  18          HB1       LEU  18  -6.711   3.647   7.305
  134   2HB   LEU  18          HB2       LEU  18  -4.962   3.424   7.347
  135    HG   LEU  18           HG       LEU  18  -5.151   6.086   7.914
  136   1HD1  LEU  18          HD21      LEU  18  -7.625   5.963   7.962
  137   2HD1  LEU  18          HD22      LEU  18  -6.968   6.371   9.547
  138   3HD1  LEU  18          HD23      LEU  18  -7.531   4.731   9.219
  139   1HD2  LEU  18          HD11      LEU  18  -4.350   5.479  10.006
  140   2HD2  LEU  18          HD12      LEU  18  -4.087   3.975   9.121
  141   3HD2  LEU  18          HD13      LEU  18  -5.494   4.147  10.172
  142    H    GLY  19           HN       GLY  19  -4.701   5.366   3.549
  143   1HA   GLY  19          HA1       GLY  19  -2.120   4.162   3.755
  144   2HA   GLY  19          HA2       GLY  19  -2.581   5.365   2.553
  145    H    ASP  20           HN       ASP  20  -0.899   6.798   2.641
  146    HA   ASP  20           HA       ASP  20   0.252   7.624   5.226
  147   1HB   ASP  20          HB2       ASP  20   1.699   7.145   3.334
  148   2HB   ASP  20          HB1       ASP  20   0.780   8.232   2.294
  149    H    GLU  21           HN       GLU  21   0.526  10.019   5.623
  150    HA   GLU  21           HA       GLU  21  -1.977  11.478   4.876
  151   1HB   GLU  21          HB1       GLU  21  -0.366  11.087   7.274
  152   2HB   GLU  21          HB2       GLU  21  -0.608  12.804   6.949
  153   1HG   GLU  21          HG1       GLU  21  -3.110  11.768   6.454
  154   2HG   GLU  21          HG2       GLU  21  -2.553  10.760   7.790
  155    H    ALA  22           HN       ALA  22   1.522  11.574   4.711
  156    HA   ALA  22           HA       ALA  22   1.778  14.386   4.057
  157   1HB   ALA  22          HB1       ALA  22   3.589  12.951   4.954
  158   2HB   ALA  22          HB2       ALA  22   4.064  13.647   3.405
  159   3HB   ALA  22          HB3       ALA  22   3.536  11.967   3.492
  160    H    GLU  23           HN       GLU  23   2.052  11.447   2.004
  161    HA   GLU  23           HA       GLU  23   2.106  12.811  -0.496
  162   1HB   GLU  23          HB1       GLU  23   2.650  10.390   0.071
  163   2HB   GLU  23          HB2       GLU  23   0.914  10.086   0.107
  164   1HG   GLU  23          HG2       GLU  23   1.467   9.542  -2.106
  165   2HG   GLU  23          HG1       GLU  23   0.938  11.218  -2.257
  166    H    GLY  24           HN       GLY  24  -0.519  12.112   1.687
  167   1HA   GLY  24          HA2       GLY  24  -2.647  13.258   1.528
  168   2HA   GLY  24          HA1       GLY  24  -2.392  13.428  -0.208
  169    H    PHE  25           HN       PHE  25  -1.794  10.389   1.445
  170    HA   PHE  25           HA       PHE  25  -3.598   8.971  -0.329
  171   1HB   PHE  25          HB2       PHE  25  -1.606   8.482   1.795
  172   2HB   PHE  25          HB1       PHE  25  -2.896   7.285   1.757
  173    HD1  PHE  25           HD1      PHE  25  -1.945   9.012  -1.358
  174    HD2  PHE  25           HD2      PHE  25  -1.290   5.549   1.094
  175    HE1  PHE  25           HE1      PHE  25  -0.840   7.872  -3.262
  176    HE2  PHE  25           HE2      PHE  25  -0.188   4.406  -0.811
  177    HZ   PHE  25           HZ       PHE  25   0.035   5.565  -2.991
  178    H    THR  26           HN       THR  26  -5.551  10.315   0.337
  179    HA   THR  26           HA       THR  26  -6.722  10.205   2.919
  180    HB   THR  26           HB       THR  26  -7.289  11.661   0.945
  181    HG1  THR  26           HG1      THR  26  -8.916  11.888   2.247
  182   1HG2  THR  26          HG21      THR  26  -9.240   9.862  -0.204
  183   2HG2  THR  26          HG22      THR  26  -7.623   9.172  -0.318
  184   3HG2  THR  26          HG23      THR  26  -7.954  10.762  -1.005
  185    HA   PRO  27           HA       PRO  27  -8.083   6.072   3.525
  186   1HB   PRO  27          HB2       PRO  27 -10.765   7.222   4.175
  187   2HB   PRO  27          HB1       PRO  27  -9.740   6.147   5.144
  188   1HG   PRO  27          HG2       PRO  27  -9.998   8.752   5.705
  189   2HG   PRO  27          HG1       PRO  27  -8.484   7.877   5.971
  190   1HD   PRO  27          HD1       PRO  27  -9.182   9.851   3.868
  191   2HD   PRO  27          HD2       PRO  27  -7.609   9.490   4.609
  192    H    GLY  28           HN       GLY  28  -8.128   5.362   1.325
  193   1HA   GLY  28          HA2       GLY  28 -10.336   4.313   0.169
  194   2HA   GLY  28          HA1       GLY  28 -10.479   5.997  -0.335
  195    H    THR  29           HN       THR  29  -7.405   6.101  -0.325
  196    HA   THR  29           HA       THR  29  -7.013   5.635  -3.125
  197    HB   THR  29           HB       THR  29  -4.959   5.801  -0.890
  198    HG1  THR  29           HG1      THR  29  -5.386   7.866  -0.759
  199   1HG2  THR  29          HG21      THR  29  -4.523   5.366  -3.526
  200   2HG2  THR  29          HG22      THR  29  -3.418   6.294  -2.512
  201   3HG2  THR  29          HG23      THR  29  -4.597   7.128  -3.523
  202    H    ARG  30           HN       ARG  30  -6.528   3.754  -4.177
  203    HA   ARG  30           HA       ARG  30  -5.600   1.425  -2.531
  204   1HB   ARG  30          HB1       ARG  30  -6.824   0.060  -4.171
  205   2HB   ARG  30          HB2       ARG  30  -7.894   1.307  -3.532
  206   1HG   ARG  30          HG2       ARG  30  -6.694   2.558  -5.700
  207   2HG   ARG  30          HG1       ARG  30  -6.928   0.906  -6.269
  208   1HD   ARG  30          HD1       ARG  30  -9.312   1.565  -4.908
  209   2HD   ARG  30          HD2       ARG  30  -8.913   2.982  -5.896
  210    HE   ARG  30           HE       ARG  30  -8.406   0.835  -7.578
  211   1HH1  ARG  30          HH22      ARG  30 -11.134   1.892  -5.690
  212   2HH1  ARG  30          HH21      ARG  30 -12.291   1.201  -6.775
  213   1HH2  ARG  30          HH12      ARG  30  -9.929  -0.052  -8.970
  214   2HH2  ARG  30          HH11      ARG  30 -11.617   0.110  -8.618
  215    H    PHE  31           HN       PHE  31  -3.837   0.222  -3.341
  216    HA   PHE  31           HA       PHE  31  -1.767   1.432  -4.762
  217   1HB   PHE  31          HB1       PHE  31  -2.494  -1.130  -3.745
  218   2HB   PHE  31          HB2       PHE  31  -1.901  -1.380  -5.388
  219    HD1  PHE  31           HD1      PHE  31  -1.034   0.749  -2.413
  220    HD2  PHE  31           HD2      PHE  31   0.378  -1.764  -5.597
  221    HE1  PHE  31           HE1      PHE  31   1.295   1.048  -1.616
  222    HE2  PHE  31           HE2      PHE  31   2.707  -1.465  -4.801
  223    HZ   PHE  31           HZ       PHE  31   3.166  -0.059  -2.811
  224    H    GLU  32           HN       GLU  32  -4.304  -0.701  -6.136
  225    HA   GLU  32           HA       GLU  32  -3.498  -0.783  -8.816
  226   1HB   GLU  32          HB1       GLU  32  -5.385  -2.010  -7.865
  227   2HB   GLU  32          HB2       GLU  32  -6.261  -0.508  -7.583
  228   1HG   GLU  32          HG2       GLU  32  -6.010  -0.121 -10.132
  229   2HG   GLU  32          HG1       GLU  32  -5.599  -1.834 -10.213
  230    H    ASP  33           HN       ASP  33  -5.097   1.837  -7.060
  231    HA   ASP  33           HA       ASP  33  -5.299   3.477  -9.525
  232   1HB   ASP  33          HB1       ASP  33  -6.996   3.178  -7.523
  233   2HB   ASP  33          HB2       ASP  33  -5.964   4.362  -6.722
  234    H    ILE  34           HN       ILE  34  -2.748   2.703  -7.725
  235    HA   ILE  34           HA       ILE  34  -1.726   5.518  -7.529
  236    HB   ILE  34           HB       ILE  34  -1.041   2.968  -6.021
  237   1HG1  ILE  34          HG12      ILE  34  -2.155   5.569  -4.962
  238   2HG1  ILE  34          HG11      ILE  34  -3.191   4.242  -5.482
  239   1HG2  ILE  34          HG21      ILE  34   0.865   3.933  -5.295
  240   2HG2  ILE  34          HG22      ILE  34   0.028   5.441  -4.930
  241   3HG2  ILE  34          HG23      ILE  34   0.642   5.146  -6.556
  242   1HD1  ILE  34          HD11      ILE  34  -2.393   4.445  -2.949
  243   2HD1  ILE  34          HD12      ILE  34  -0.958   3.634  -3.580
  244   3HD1  ILE  34          HD13      ILE  34  -2.542   2.870  -3.727
  245    HA   PRO  35           HA       PRO  35   0.693   3.046 -10.717
  246   1HB   PRO  35          HB1       PRO  35   0.329   4.818 -12.799
  247   2HB   PRO  35          HB2       PRO  35  -0.735   3.432 -12.498
  248   1HG   PRO  35          HG1       PRO  35  -1.123   6.308 -11.831
  249   2HG   PRO  35          HG2       PRO  35  -2.300   5.112 -12.390
  250   1HD   PRO  35          HD1       PRO  35  -2.082   5.910  -9.793
  251   2HD   PRO  35          HD2       PRO  35  -2.670   4.306 -10.279
  252    H    ASP  36           HN       ASP  36   0.602   6.252  -9.431
  253    HA   ASP  36           HA       ASP  36   2.858   7.462 -10.657
  254   1HB   ASP  36          HB1       ASP  36   0.994   8.125  -8.795
  255   2HB   ASP  36          HB2       ASP  36   2.383   7.855  -7.742
  256    H    ASP  37           HN       ASP  37   4.608   8.013  -8.496
  257    HA   ASP  37           HA       ASP  37   6.010   5.381  -8.267
  258   1HB   ASP  37          HB1       ASP  37   8.011   6.848  -8.004
  259   2HB   ASP  37          HB2       ASP  37   7.134   7.207  -9.490
  260    H    TRP  38           HN       TRP  38   3.888   6.032  -6.405
  261    HA   TRP  38           HA       TRP  38   4.745   7.207  -3.968
  262   1HB   TRP  38          HB1       TRP  38   2.427   6.620  -4.468
  263   2HB   TRP  38          HB2       TRP  38   2.848   4.913  -4.594
  264    HD1  TRP  38           HD1      TRP  38   2.300   7.694  -2.047
  265    HE1  TRP  38           HE1      TRP  38   2.134   6.650   0.306
  266    HE3  TRP  38           HE3      TRP  38   3.582   2.870  -3.125
  267    HZ2  TRP  38           HZ2      TRP  38   2.493   4.108   1.563
  268    HZ3  TRP  38           HZ3      TRP  38   3.662   1.159  -1.334
  269    HH2  TRP  38           HH2      TRP  38   3.119   1.772   1.006
  270    H    CYS  39           HN       CYS  39   5.795   6.323  -2.137
  271    HA   CYS  39           HA       CYS  39   6.876   3.545  -2.408
  272   1HB   CYS  39          HB2       CYS  39   8.250   6.196  -2.080
  273   2HB   CYS  39          HB1       CYS  39   8.977   4.777  -1.332
  274    HG   CYS  39           HG       CYS  39   8.800   3.680  -3.841
  275    H    CYS  40           HN       CYS  40   8.105   3.104  -0.149
  276    HA   CYS  40           HA       CYS  40   6.090   3.134   1.909
  277   1HB   CYS  40          HB1       CYS  40   8.499   1.852   1.303
  278   2HB   CYS  40          HB2       CYS  40   8.870   2.762   2.769
  279    HA   PRO  41           HA       PRO  41   6.845   7.089   3.659
  280   1HB   PRO  41          HB1       PRO  41   6.125   6.593   6.283
  281   2HB   PRO  41          HB2       PRO  41   4.962   6.843   4.968
  282   1HG   PRO  41          HG2       PRO  41   5.888   4.317   6.232
  283   2HG   PRO  41          HG1       PRO  41   4.284   4.756   5.629
  284   1HD   PRO  41          HD1       PRO  41   6.013   3.136   4.282
  285   2HD   PRO  41          HD2       PRO  41   4.788   4.141   3.481
  286    H    ASP  42           HN       ASP  42   8.694   4.365   4.506
  287    HA   ASP  42           HA       ASP  42  10.779   6.110   5.666
  288   1HB   ASP  42          HB2       ASP  42   9.113   4.115   7.150
  289   2HB   ASP  42          HB1       ASP  42  10.820   4.223   7.576
  290    H    CYS  43           HN       CYS  43  10.499   4.342   3.262
  291    HA   CYS  43           HA       CYS  43  12.935   2.694   3.772
  292   1HB   CYS  43          HB2       CYS  43  10.441   1.741   2.327
  293   2HB   CYS  43          HB1       CYS  43  11.887   0.790   2.645
  294    H    GLY  44           HN       GLY  44  10.617   3.494   1.151
  295   1HA   GLY  44          HA1       GLY  44  11.228   4.890  -0.753
  296   2HA   GLY  44          HA2       GLY  44  12.920   4.487  -0.458
  297    H    ALA  45           HN       ALA  45  10.472   2.000  -0.324
  298    HA   ALA  45           HA       ALA  45  11.723   0.714  -2.704
  299   1HB   ALA  45          HB1       ALA  45  11.601  -1.003  -1.219
  300   2HB   ALA  45          HB2       ALA  45   9.858  -1.000  -1.488
  301   3HB   ALA  45          HB3       ALA  45  10.547  -0.078  -0.151
  302    H    THR  46           HN       THR  46   9.980  -0.689  -3.957
  303    HA   THR  46           HA       THR  46   7.672   1.122  -4.590
  304    HB   THR  46           HB       THR  46   7.883   0.241  -6.853
  305    HG1  THR  46           HG1      THR  46   9.421  -1.382  -7.276
  306   1HG2  THR  46          HG21      THR  46  10.729   0.441  -6.632
  307   2HG2  THR  46          HG22      THR  46  10.003   1.583  -5.502
  308   3HG2  THR  46          HG23      THR  46   9.591   1.655  -7.216
  309    H    LYS  47           HN       LYS  47   6.166  -0.652  -6.093
  310    HA   LYS  47           HA       LYS  47   4.639  -2.116  -4.264
  311   1HB   LYS  47          HB1       LYS  47   3.928  -3.263  -6.387
  312   2HB   LYS  47          HB2       LYS  47   3.892  -1.522  -6.504
  313   1HG   LYS  47          HG2       LYS  47   6.440  -2.071  -7.352
  314   2HG   LYS  47          HG1       LYS  47   5.593  -3.514  -7.897
  315   1HD   LYS  47          HD1       LYS  47   4.998  -2.260  -9.690
  316   2HD   LYS  47          HD2       LYS  47   3.837  -1.508  -8.597
  317   1HE   LYS  47          HE1       LYS  47   5.052   0.434  -8.450
  318   2HE   LYS  47          HE2       LYS  47   6.606  -0.422  -8.481
  319   1HZ   LYS  47          HZ1       LYS  47   6.292  -0.879 -10.818
  320   2HZ   LYS  47          HZ2       LYS  47   6.163   0.795 -10.564
  321   3HZ   LYS  47          HZ3       LYS  47   4.764  -0.137 -10.803
  322    H    GLU  48           HN       GLU  48   7.522  -3.025  -6.062
  323    HA   GLU  48           HA       GLU  48   7.559  -5.812  -5.856
  324   1HB   GLU  48          HB1       GLU  48   9.256  -3.944  -6.717
  325   2HB   GLU  48          HB2       GLU  48  10.012  -4.231  -5.149
  326   1HG   GLU  48          HG1       GLU  48   9.274  -6.699  -6.566
  327   2HG   GLU  48          HG2       GLU  48  10.472  -5.727  -7.420
  328    H    ASP  49           HN       ASP  49   8.179  -3.427  -3.311
  329    HA   ASP  49           HA       ASP  49   8.948  -5.477  -1.338
  330   1HB   ASP  49          HB2       ASP  49   8.557  -2.487  -1.445
  331   2HB   ASP  49          HB1       ASP  49   8.715  -3.291   0.116
  332    H    TYR  50           HN       TYR  50   6.076  -3.744  -2.358
  333    HA   TYR  50           HA       TYR  50   4.525  -4.586   0.016
  334   1HB   TYR  50          HB1       TYR  50   4.259  -2.778  -2.360
  335   2HB   TYR  50          HB2       TYR  50   2.779  -3.364  -1.612
  336    HD1  TYR  50           HD1      TYR  50   5.459  -0.999  -1.410
  337    HD2  TYR  50           HD2      TYR  50   2.531  -3.084   0.938
  338    HE1  TYR  50           HE1      TYR  50   5.724   0.679   0.406
  339    HE2  TYR  50           HE2      TYR  50   2.789  -1.410   2.752
  340    HH   TYR  50           HH       TYR  50   3.567   1.115   2.821
  341    H    VAL  51           HN       VAL  51   3.337  -6.459  -0.012
  342    HA   VAL  51           HA       VAL  51   2.760  -7.714  -2.678
  343    HB   VAL  51           HB       VAL  51   3.355  -8.912   0.054
  344   1HG1  VAL  51          HG21      VAL  51   2.616 -10.208  -2.585
  345   2HG1  VAL  51          HG22      VAL  51   1.741 -10.327  -1.058
  346   3HG1  VAL  51          HG23      VAL  51   3.323 -11.087  -1.230
  347   1HG2  VAL  51          HG11      VAL  51   4.885  -9.092  -2.557
  348   2HG2  VAL  51          HG12      VAL  51   5.394  -9.715  -0.989
  349   3HG2  VAL  51          HG13      VAL  51   5.287  -7.975  -1.253
  350    H    LEU  52           HN       LEU  52   0.728  -8.991  -2.726
  351    HA   LEU  52           HA       LEU  52  -1.466  -7.591  -1.415
  352   1HB   LEU  52          HB2       LEU  52  -1.121  -8.871  -3.752
  353   2HB   LEU  52          HB1       LEU  52  -1.762 -10.217  -2.821
  354    HG   LEU  52           HG       LEU  52  -3.587  -9.009  -3.937
  355   1HD1  LEU  52          HD11      LEU  52  -3.478  -8.507  -0.951
  356   2HD1  LEU  52          HD12      LEU  52  -4.038  -9.985  -1.731
  357   3HD1  LEU  52          HD13      LEU  52  -4.944  -8.485  -1.931
  358   1HD2  LEU  52          HD21      LEU  52  -3.943  -6.700  -3.713
  359   2HD2  LEU  52          HD22      LEU  52  -2.187  -6.804  -3.828
  360   3HD2  LEU  52          HD23      LEU  52  -2.956  -6.594  -2.255
  361    H    TYR  53           HN       TYR  53  -1.568  -7.981   0.790
  362    HA   TYR  53           HA       TYR  53  -0.860 -10.379   2.136
  363   1HB   TYR  53          HB2       TYR  53  -1.412  -7.943   2.929
  364   2HB   TYR  53          HB1       TYR  53  -3.074  -8.528   3.024
  365    HD1  TYR  53           HD1      TYR  53  -3.797  -9.750   4.899
  366    HD2  TYR  53           HD2      TYR  53   0.409  -9.331   4.137
  367    HE1  TYR  53           HE1      TYR  53  -3.295 -10.822   7.079
  368    HE2  TYR  53           HE2      TYR  53   0.910 -10.404   6.315
  369    HH   TYR  53           HH       TYR  53  -1.491 -12.010   8.169
  370    H    GLU  54           HN       GLU  54  -1.765 -12.265   1.241
  371    HA   GLU  54           HA       GLU  54  -3.431 -13.868   0.760
  372   1HB   GLU  54          HB1       GLU  54  -3.586 -13.175   3.289
  373   2HB   GLU  54          HB2       GLU  54  -5.081 -12.376   2.800
  374   1HG   GLU  54          HG2       GLU  54  -5.891 -14.484   3.351
  375   2HG   GLU  54          HG1       GLU  54  -5.559 -14.707   1.632
  376    H    GLU  55           HN       GLU  55  -3.843 -12.824  -1.387
  377    HA   GLU  55           HA       GLU  55  -5.927 -10.849  -1.723
  378   1HB   GLU  55          HB1       GLU  55  -5.689 -11.561  -4.115
  379   2HB   GLU  55          HB2       GLU  55  -4.128 -11.259  -3.349
  380   1HG   GLU  55          HG1       GLU  55  -4.639 -13.940  -2.783
  381   2HG   GLU  55          HG2       GLU  55  -5.206 -13.745  -4.442
  382    H    LYS  56           HN       LYS  56  -7.979 -11.388  -2.986
  383    HA   LYS  56           HA       LYS  56  -9.198 -13.872  -1.855
  384   1HB   LYS  56          HB2       LYS  56  -9.956 -11.271  -1.701
  385   2HB   LYS  56          HB1       LYS  56 -10.809 -11.735  -3.173
  386   1HG   LYS  56          HG1       LYS  56 -12.406 -12.428  -1.685
  387   2HG   LYS  56          HG2       LYS  56 -11.391 -13.868  -1.606
  388   1HD   LYS  56          HD2       LYS  56 -10.365 -11.827   0.167
  389   2HD   LYS  56          HD1       LYS  56 -12.063 -12.142   0.522
  390   1HE   LYS  56          HE2       LYS  56 -11.665 -14.425   0.991
  391   2HE   LYS  56          HE1       LYS  56 -10.112 -14.420   0.132
  392   1HZ   LYS  56          HZ1       LYS  56  -9.203 -12.943   1.769
  393   2HZ   LYS  56          HZ2       LYS  56  -9.884 -14.266   2.589
  394   3HZ   LYS  56          HZ3       LYS  56 -10.706 -12.781   2.543